Mock Version: 6.0
Mock Version: 6.0
Mock Version: 6.0
ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --noclean --target ppc64le --nodeps /builddir/build/SPECS/openbabel.spec'], chrootPath='/var/lib/mock/f42-build-56816164-6546346/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=<mockbuild.trace_decorator.getLog object at 0x7fffa7bd5370>timeout=201600uid=1000gid=425user='mockbuild'unshare_net=TrueprintOutput=Falsenspawn_args=['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.sb1tgju1:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11'])
Using nspawn with args ['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.sb1tgju1:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']
Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', '4e7e9d709ff14e4db5a6d3e8f6815d86', '-D', '/var/lib/mock/f42-build-56816164-6546346/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.sb1tgju1:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;<mock-chroot>\\007"', '--setenv=PS1=<mock-chroot> \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', 'bash', '--login', '-c', '/usr/bin/rpmbuild -bs --noclean --target ppc64le --nodeps /builddir/build/SPECS/openbabel.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0', 'SYSTEMD_SECCOMP': '0'} and shell False
Building target platforms: ppc64le
Building for target ppc64le
sh: line 1: perl: command not found
setting SOURCE_DATE_EPOCH=1737417600
Wrote: /builddir/build/SRPMS/openbabel-3.1.1-32.fc42.src.rpm
Child return code was: 0
ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --noclean --target ppc64le --nodeps /builddir/build/SPECS/openbabel.spec'], chrootPath='/var/lib/mock/f42-build-56816164-6546346/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=<mockbuild.trace_decorator.getLog object at 0x7fffa7bd5370>timeout=201600uid=1000gid=425user='mockbuild'unshare_net=TrueprintOutput=Falsenspawn_args=['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.sb1tgju1:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11'])
Using nspawn with args ['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.sb1tgju1:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']
Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', '06a2172c03bb425e94eaa89a24d47139', '-D', '/var/lib/mock/f42-build-56816164-6546346/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.sb1tgju1:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/mapper/control', '--bind=/dev/fuse', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;<mock-chroot>\\007"', '--setenv=PS1=<mock-chroot> \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', 'bash', '--login', '-c', '/usr/bin/rpmbuild -bb --noclean --target ppc64le --nodeps /builddir/build/SPECS/openbabel.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0', 'SYSTEMD_SECCOMP': '0'} and shell False
Building target platforms: ppc64le
Building for target ppc64le
setting SOURCE_DATE_EPOCH=1737417600
Executing(%mkbuilddir): /bin/sh -e /var/tmp/rpm-tmp.DEgxx6
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ test -d /builddir/build/BUILD/openbabel-3.1.1-build
+ /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w /builddir/build/BUILD/openbabel-3.1.1-build
+ /usr/bin/rm -rf /builddir/build/BUILD/openbabel-3.1.1-build
+ /usr/bin/mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build
+ /usr/bin/mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build/SPECPARTS
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.hczDA5
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ rm -rf openbabel-openbabel-3-1-1
+ /usr/lib/rpm/rpmuncompress -x /builddir/build/SOURCES/openbabel-openbabel-3-1-1.tar.gz
+ STATUS=0
+ '[' 0 -ne 0 ']'
+ cd openbabel-openbabel-3-1-1
+ /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w .
Patch #0 (openbabel-perl.patch):
+ echo 'Patch #0 (openbabel-perl.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .perl_path --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 367 (offset 31 lines).
Patch #1 (openbabel-plugindir.patch):
+ echo 'Patch #1 (openbabel-plugindir.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .plugindir --fuzz=0
patching file CMakeLists.txt
patching file OpenBabel3Config.cmake.in
Patch #2 (openbabel-noswig-rubymethod.patch):
+ echo 'Patch #2 (openbabel-noswig-rubymethod.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .noswig_ruby --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 416 (offset 42 lines).
Patch #3 (openbabel-ruby19-vendorarch.patch):
+ echo 'Patch #3 (openbabel-ruby19-vendorarch.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .ruby_vendor --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 447 (offset 47 lines).
Patch #4 (openbabel-disable-tests.patch):
+ echo 'Patch #4 (openbabel-disable-tests.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .tests --fuzz=0
patching file test/CMakeLists.txt
Patch #5 (openbabel-fix-libdir-in-pkgconfig.patch):
+ echo 'Patch #5 (openbabel-fix-libdir-in-pkgconfig.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .s390x --fuzz=0
patching file openbabel-3.pc.cmake
Patch #7 (openbabel-3.1.1-fix_bug2223.patch):
+ echo 'Patch #7 (openbabel-3.1.1-fix_bug2223.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .backup --fuzz=0
patching file src/forcefields/forcefielduff.cpp
Patch #8 (openbabel-3.1.1-fix_bug2217.patch):
+ echo 'Patch #8 (openbabel-3.1.1-fix_bug2217.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .backup --fuzz=0
patching file test/testdistgeom.py
Patch #9 (openbabel-3.1.1-bug2378.patch):
+ echo 'Patch #9 (openbabel-3.1.1-bug2378.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .backup --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 102 (offset -4 lines).
Patch #10 (openbabel-3.1.1-bug2493.patch):
+ echo 'Patch #10 (openbabel-3.1.1-bug2493.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .backup --fuzz=0
patching file src/config.h.cmake
+ rm -rf src/formats/libinchi
+ dos2unix -k data/chemdrawcdx.h include/openbabel/tautomer.h include/openbabel/math/align.h src/math/align.cpp test/testsmartssym.py
dos2unix: converting file data/chemdrawcdx.h to Unix format...
dos2unix: converting file include/openbabel/tautomer.h to Unix format...
dos2unix: converting file include/openbabel/math/align.h to Unix format...
dos2unix: converting file src/math/align.cpp to Unix format...
dos2unix: converting file test/testsmartssym.py to Unix format...
+ convert src/GUI/babel.xpm -transparent white babel.png
WARNING: The convert command is deprecated in IMv7, use "magick" instead of "convert" or "magick convert"
~/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc ~/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1
+ pushd doc
+ for man in *.1
++ basename obabel.1 .1
+ html=obabel.html
+ '[' -f obabel.html ']'
+ rm obabel.html
+ for man in *.1
++ basename obchiral.1 .1
+ html=obchiral.html
+ '[' -f obchiral.html ']'
+ rm obchiral.html
+ for man in *.1
++ basename obconformer.1 .1
+ html=obconformer.html
+ '[' -f obconformer.html ']'
+ rm obconformer.html
+ for man in *.1
++ basename obdistgen.1 .1
+ html=obdistgen.html
+ '[' -f obdistgen.html ']'
+ for man in *.1
++ basename obenergy.1 .1
+ html=obenergy.html
+ '[' -f obenergy.html ']'
+ rm obenergy.html
+ for man in *.1
++ basename obfit.1 .1
+ html=obfit.html
+ '[' -f obfit.html ']'
+ rm obfit.html
+ for man in *.1
++ basename obgen.1 .1
+ html=obgen.html
+ '[' -f obgen.html ']'
+ rm obgen.html
+ for man in *.1
++ basename obgrep.1 .1
+ html=obgrep.html
+ '[' -f obgrep.html ']'
+ rm obgrep.html
+ for man in *.1
++ basename obgui.1 .1
+ html=obgui.html
+ '[' -f obgui.html ']'
+ rm obgui.html
+ for man in *.1
++ basename obminimize.1 .1
+ html=obminimize.html
+ '[' -f obminimize.html ']'
+ rm obminimize.html
+ for man in *.1
++ basename obprobe.1 .1
+ html=obprobe.html
+ '[' -f obprobe.html ']'
+ rm obprobe.html
+ for man in *.1
++ basename obprop.1 .1
+ html=obprop.html
+ '[' -f obprop.html ']'
+ rm obprop.html
+ for man in *.1
++ basename obrms.1 .1
+ html=obrms.html
+ '[' -f obrms.html ']'
+ for man in *.1
++ basename obrotamer.1 .1
+ html=obrotamer.html
+ '[' -f obrotamer.html ']'
+ rm obrotamer.html
+ for man in *.1
++ basename obrotate.1 .1
+ html=obrotate.html
+ '[' -f obrotate.html ']'
+ rm obrotate.html
+ for man in *.1
++ basename obspectrophore.1 .1
+ html=obspectrophore.html
+ '[' -f obspectrophore.html ']'
+ rm obspectrophore.html
+ for man in *.1
++ basename obsym.1 .1
+ html=obsym.html
+ '[' -f obsym.html ']'
+ for man in *.1
++ basename obtautomer.1 .1
+ html=obtautomer.html
+ '[' -f obtautomer.html ']'
+ for man in *.1
++ basename obthermo.1 .1
+ html=obthermo.html
+ '[' -f obthermo.html ']'
+ for man in *.1
++ basename roundtrip.1 .1
+ html=roundtrip.html
+ '[' -f roundtrip.html ']'
+ popd
~/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.cWIGmt
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd openbabel-openbabel-3-1-1
+ mkdir -p ppc64le-redhat-linux-gnu
+ export 'CXXFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA'
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA'
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA'
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ /usr/bin/cmake -S . -B redhat-linux-build -DCMAKE_C_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_CXX_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_Fortran_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_VERBOSE_MAKEFILE:BOOL=ON -DCMAKE_INSTALL_DO_STRIP:BOOL=OFF -DCMAKE_INSTALL_PREFIX:PATH=/usr -DCMAKE_INSTALL_FULL_SBINDIR:PATH=/usr/bin -DCMAKE_INSTALL_SBINDIR:PATH=bin -DINCLUDE_INSTALL_DIR:PATH=/usr/include -DLIB_INSTALL_DIR:PATH=/usr/lib64 -DSYSCONF_INSTALL_DIR:PATH=/etc -DSHARE_INSTALL_PREFIX:PATH=/usr/share -DLIB_SUFFIX=64 -DBUILD_SHARED_LIBS:BOOL=ON -B ppc64le-redhat-linux-gnu -Wno-dev -DCMAKE_SKIP_RPATH:BOOL=ON -DBUILD_GUI:BOOL=ON -DPYTHON_BINDINGS:BOOL=ON -DPYTHON_EXECUTABLE=/usr/bin/python3 -DPERL_BINDINGS:BOOL=ON -DRUBY_BINDINGS:BOOL=ON -DWITH_MAEPARSER:BOOL=OFF -DWITH_COORDGEN:BOOL=OFF -DOB_PLUGIN_INSTALL_DIR:PATH=lib64/openbabel3 -DOPENBABEL_USE_SYSTEM_INCHI=true -DINCHI_INCLUDE_DIR:PATH=/usr/include/inchi -DINCHI_LIBRARY:FILEPATH=/usr/lib64/libinchi.so -DENABLE_VERSIONED_FORMATS=false -DRUN_SWIG=true -DENABLE_TESTS:BOOL=ON -DOPTIMIZE_NATIVE=OFF -DGLIBC_24_COMPATIBLE:BOOL=OFF
-- The C compiler identification is GNU 15.0.1
-- The CXX compiler identification is GNU 15.0.1
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Check for working C compiler: /usr/bin/gcc - skipped
-- Detecting C compile features
-- Detecting C compile features - done
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Check for working CXX compiler: /usr/bin/g++ - skipped
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Found LibXml2: /usr/lib64/libxml2.so (found version "2.12.9")
-- Found ZLIB: /usr/lib64/libz.so (found version "1.3.1")
-- Found wxWidgets: -pthread;;;-lwx_baseu-3.2;-lwx_gtk3u_core-3.2 (found version "3.2.6")
-- Looking for conio.h
-- Looking for conio.h - not found
-- Looking for sys/time.h
-- Looking for sys/time.h - found
-- Looking for time.h
-- Looking for time.h - found
-- Looking for strings.h
-- Looking for strings.h - found
-- Looking for rpc/xdr.h
-- Looking for rpc/xdr.h - not found
-- Looking for regex.h
-- Looking for regex.h - found
-- Looking for C++ include sstream
-- Looking for C++ include sstream - found
-- Looking for rint
-- Looking for rint - not found
-- Looking for snprintf
-- Looking for snprintf - found
-- Looking for sranddev
-- Looking for sranddev - not found
-- Looking for strcasecmp
-- Looking for strcasecmp - found
-- Looking for strncasecmp
-- Looking for strncasecmp - found
-- Looking for dlopen in dl
-- Looking for dlopen in dl - found
-- Looking for sys/types.h
-- Looking for sys/types.h - found
-- Looking for stdint.h
-- Looking for stdint.h - found
-- Looking for stddef.h
-- Looking for stddef.h - found
-- Check size of clock_t
-- Check size of clock_t - done
-- Performing Test SCANDIR_NEEDS_CONST
-- Performing Test SCANDIR_NEEDS_CONST - Failed
-- Performing Test HAVE_GCC_VISIBILITY
-- Performing Test HAVE_GCC_VISIBILITY - Success
-- Checking available shared pointer...
-- Performing Test HAVE_STD_SHARED_PTR
-- Performing Test HAVE_STD_SHARED_PTR - Success
-- Performing Test HAVE_STD_TR1_SHARED_PTR
-- Performing Test HAVE_STD_TR1_SHARED_PTR - Failed
-- Performing Test HAVE_STD_TR1_SHARED_PTR_IN_TR1_HEADER
-- Performing Test HAVE_STD_TR1_SHARED_PTR_IN_TR1_HEADER - Success
-- Use std::shared_ptr in memory
-- Found Boost: /usr/lib64/cmake/Boost-1.83.0/BoostConfig.cmake (found version "1.83.0") found components: program_options iostreams
-- Found Eigen3: /usr/include/eigen3 (Required is at least version "2.91.0")
-- Found Boost: /usr/lib64/cmake/Boost-1.83.0/BoostConfig.cmake (found version "1.83.0") found components: filesystem iostreams unit_test_framework
-- Maestro formats will NOT be supported. Please install Boost to enable Maestro formats.
-- Coordinate generation with Coordgen will NOT be supported. Please install Boost to enable Maestro formats.
-- Found PkgConfig: /usr/bin/pkg-config (found version "2.3.0")
-- Found RapidJSON: /usr/include (found suitable version "1.1.0", minimum required is "1.1.0")
-- JSON formats will be supported. Using RapidJSON 1.1.0 at /usr/include
-- Checking for module 'cairo'
--   Found cairo, version 1.18.2
-- Found Cairo: /usr/lib64/libcairo.so
-- Cairo found. PNG output will be supported.
-- Found Boost: /usr/lib64/cmake/Boost-1.83.0/BoostConfig.cmake (found suitable version "1.83.0", minimum required is "1.45.0") found components: system
-- Performing Test CMAKE_HAVE_LIBC_PTHREAD
-- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success
-- Found Threads: TRUE
-- Found Boost: /usr/lib64/cmake/Boost-1.83.0/BoostConfig.cmake (found version "1.83.0") found components: program_options iostreams
-- Looking for getopt
-- Looking for getopt - found
-- Attempting to build the GUI
--    wxWidgets found => GUI will be built
-- Found PythonInterp: /usr/bin/python3 (found version "3.13.1")
-- Found SWIG: /usr/bin/swig (found version "4.3.0")
-- Found SWIG: /usr/bin/swig (found suitable version "4.3.0", minimum required is "2.0")
-- Found PythonLibs: /usr/lib64/libpython3.13.so (found version "3.13.1")
-- Python bindings will be compiled
-- Found Perl: /usr/bin/perl (found version "5.40.1")
-- Found PerlLibs: /usr/lib64/libperl.so (found version "5.40.1")
-- Perl bindings will be compiled
-- Found Ruby: /usr/bin/ruby (found suitable version "3.4.1", minimum required is "1.8.0")
-- Ruby bindings will be compiled
-- Configuring done (12.6s)
-- Generating done (0.9s)
CMake Warning:
  Manually-specified variables were not used by the project:
    CMAKE_C_FLAGS_RELEASE
    CMAKE_Fortran_FLAGS_RELEASE
    CMAKE_INSTALL_DO_STRIP
    INCLUDE_INSTALL_DIR
    SHARE_INSTALL_PREFIX
    SYSCONF_INSTALL_DIR
-- Build files have been written to: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu
+ /usr/bin/make -O -j8 V=1 VERBOSE=1 -C ppc64le-redhat-linux-gnu
make: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/cmake -S/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 -B/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0
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/usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/CMakeFiles /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu//CMakeFiles/progress.marks
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/CMakeFiles/openbabel.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/base.cpp.o -MF CMakeFiles/openbabel.dir/base.cpp.o.d -o CMakeFiles/openbabel.dir/base.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/base.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/bondtyper.cpp.o -MF CMakeFiles/openbabel.dir/bondtyper.cpp.o.d -o CMakeFiles/openbabel.dir/bondtyper.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/bondtyper.cpp
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[  1%] Building CXX object src/CMakeFiles/openbabel.dir/bitvec.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/bitvec.cpp.o -MF CMakeFiles/openbabel.dir/bitvec.cpp.o.d -o CMakeFiles/openbabel.dir/bitvec.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/bitvec.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/bond.cpp.o -MF CMakeFiles/openbabel.dir/bond.cpp.o.d -o CMakeFiles/openbabel.dir/bond.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/bond.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/chargemodel.cpp.o -MF CMakeFiles/openbabel.dir/chargemodel.cpp.o.d -o CMakeFiles/openbabel.dir/chargemodel.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/chargemodel.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/chargemodel.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
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[  1%] Building CXX object src/CMakeFiles/openbabel.dir/atom.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/atom.cpp.o -MF CMakeFiles/openbabel.dir/atom.cpp.o.d -o CMakeFiles/openbabel.dir/atom.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/atom.cpp
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/data_utilities.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/data_utilities.cpp.o -MF CMakeFiles/openbabel.dir/data_utilities.cpp.o.d -o CMakeFiles/openbabel.dir/data_utilities.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/data_utilities.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  0%] Building CXX object src/CMakeFiles/openbabel.dir/alias.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/alias.cpp.o -MF CMakeFiles/openbabel.dir/alias.cpp.o.d -o CMakeFiles/openbabel.dir/alias.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/alias.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/alias.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/alias.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/descriptor.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/descriptor.cpp.o -MF CMakeFiles/openbabel.dir/descriptor.cpp.o.d -o CMakeFiles/openbabel.dir/descriptor.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptor.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptor.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptor.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/fingerprint.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/fingerprint.cpp.o -MF CMakeFiles/openbabel.dir/fingerprint.cpp.o.d -o CMakeFiles/openbabel.dir/fingerprint.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprint.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/fingerprint.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprint.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprint.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/elements.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/elements.cpp.o -MF CMakeFiles/openbabel.dir/elements.cpp.o.d -o CMakeFiles/openbabel.dir/elements.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/elements.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  1%] Building CXX object src/CMakeFiles/openbabel.dir/chains.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/chains.cpp.o -MF CMakeFiles/openbabel.dir/chains.cpp.o.d -o CMakeFiles/openbabel.dir/chains.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/chains.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/format.cpp.o -MF CMakeFiles/openbabel.dir/format.cpp.o.d -o CMakeFiles/openbabel.dir/format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/format.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/data.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/data.cpp.o -MF CMakeFiles/openbabel.dir/data.cpp.o.d -o CMakeFiles/openbabel.dir/data.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/data.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  4%] Building CXX object src/CMakeFiles/openbabel.dir/griddata.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/griddata.cpp.o -MF CMakeFiles/openbabel.dir/griddata.cpp.o.d -o CMakeFiles/openbabel.dir/griddata.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/griddata.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/generic.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/griddata.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/griddata.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:55:18: warning: ‘virtual void OpenBabel::OBGrid::Init(OpenBabel::OBMol&)’ was hidden [-Woverloaded-virtual=]
   55 |     virtual void Init(OBMol &box);
      |                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:123:10: note:   by ‘void OpenBabel::OBFloatGrid::Init(OpenBabel::OBMol&, double, double)’
  123 |     void Init(OBMol &box,double spacing, double pad=0.0);
      |          ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  1%] Building CXX object src/CMakeFiles/openbabel.dir/builder.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/builder.cpp.o -MF CMakeFiles/openbabel.dir/builder.cpp.o.d -o CMakeFiles/openbabel.dir/builder.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/builder.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/builder.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/builder.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/builder.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  4%] Building CXX object src/CMakeFiles/openbabel.dir/grid.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/grid.cpp.o -MF CMakeFiles/openbabel.dir/grid.cpp.o.d -o CMakeFiles/openbabel.dir/grid.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/grid.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/grid.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:55:18: warning: ‘virtual void OpenBabel::OBGrid::Init(OpenBabel::OBMol&)’ was hidden [-Woverloaded-virtual=]
   55 |     virtual void Init(OBMol &box);
      |                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:123:10: note:   by ‘void OpenBabel::OBFloatGrid::Init(OpenBabel::OBMol&, double, double)’
  123 |     void Init(OBMol &box,double spacing, double pad=0.0);
      |          ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  1%] Building CXX object src/CMakeFiles/openbabel.dir/canon.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/canon.cpp.o -MF CMakeFiles/openbabel.dir/canon.cpp.o.d -o CMakeFiles/openbabel.dir/canon.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/canon.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/locale.cpp.o -MF CMakeFiles/openbabel.dir/locale.cpp.o.d -o CMakeFiles/openbabel.dir/locale.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/locale.cpp
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[  3%] Building CXX object src/CMakeFiles/openbabel.dir/graphsym.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/graphsym.cpp.o -MF CMakeFiles/openbabel.dir/graphsym.cpp.o.d -o CMakeFiles/openbabel.dir/graphsym.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/graphsym.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/kekulize.cpp.o -MF CMakeFiles/openbabel.dir/kekulize.cpp.o.d -o CMakeFiles/openbabel.dir/kekulize.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/kekulize.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/kekulize.cpp: In function ‘bool OpenBabel::NeedsDoubleBond(OBAtom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/kekulize.cpp:94:15: warning: unused variable ‘nbr’ [-Wunused-variable]
   94 |       OBAtom *nbr = bond->GetNbrAtom(atom);
      |               ^~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/molchrg.cpp.o -MF CMakeFiles/openbabel.dir/molchrg.cpp.o.d -o CMakeFiles/openbabel.dir/molchrg.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/molchrg.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/generic.cpp.o -MF CMakeFiles/openbabel.dir/generic.cpp.o.d -o CMakeFiles/openbabel.dir/generic.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/generic.cpp
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[  6%] Building CXX object src/CMakeFiles/openbabel.dir/op.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/op.cpp.o -MF CMakeFiles/openbabel.dir/op.cpp.o.d -o CMakeFiles/openbabel.dir/op.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/op.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/op.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/oberror.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/oberror.cpp.o -MF CMakeFiles/openbabel.dir/oberror.cpp.o.d -o CMakeFiles/openbabel.dir/oberror.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/oberror.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obutil.cpp.o -MF CMakeFiles/openbabel.dir/obutil.cpp.o.d -o CMakeFiles/openbabel.dir/obutil.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obutil.cpp
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[  7%] Building CXX object src/CMakeFiles/openbabel.dir/patty.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/patty.cpp.o -MF CMakeFiles/openbabel.dir/patty.cpp.o.d -o CMakeFiles/openbabel.dir/patty.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/patty.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/forcefield.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/forcefield.cpp.o -MF CMakeFiles/openbabel.dir/forcefield.cpp.o.d -o CMakeFiles/openbabel.dir/forcefield.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_tree.h:67,
                 from /usr/include/c++/15/set:64,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:55:18: warning: ‘virtual void OpenBabel::OBGrid::Init(OpenBabel::OBMol&)’ was hidden [-Woverloaded-virtual=]
   55 |     virtual void Init(OBMol &box);
      |                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:123:10: note:   by ‘void OpenBabel::OBFloatGrid::Init(OpenBabel::OBMol&, double, double)’
  123 |     void Init(OBMol &box,double spacing, double pad=0.0);
      |          ^~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In static member function ‘static bool OpenBabel::OBForceField::IgnoreCalculation(int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:391:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  391 |     if (_ignoreAtom == a)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:393:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  393 |     if (_ignoreAtom == b)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In static member function ‘static bool OpenBabel::OBForceField::IgnoreCalculation(int, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:403:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  403 |     if (_ignoreAtom == b)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In static member function ‘static bool OpenBabel::OBForceField::IgnoreCalculation(int, int, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:413:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  413 |     if (_ignoreAtom == d)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintType(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:665:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  665 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘double OpenBabel::OBFFConstraints::GetConstraintValue(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:673:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  673 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintAtomA(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:681:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  681 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintAtomB(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:689:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  689 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintAtomC(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:697:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  697 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintAtomD(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:705:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  705 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBForceField::FastRotorSearch(bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1353:34: warning: array subscript has type ‘char’ [-Wchar-subscripts]
 1353 |     num_permutations = factorial[num_rotors_to_permute];
      |                                  ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1357:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBRotor*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1357 |     for (int i=0; i<vrotors.size(); ++i)
      |                   ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1370:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<unsigned int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1370 |       for (int i=0; i<reordered_rotors.size(); ++i) {
      |                     ~^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1291:9: warning: unused variable ‘origLogLevel’ [-Wunused-variable]
 1291 |     int origLogLevel = _loglvl;
      |         ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1327:12: warning: variable ‘energy_offset’ set but not used [-Wunused-but-set-variable]
 1327 |     double energy_offset;
      |            ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In function ‘void OpenBabel::Reweight(std::vector<std::vector<double> >&, std::vector<int>, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1571:15: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type’ {aka ‘int’} [-Wsign-compare]
 1571 |         if (j == rotorKey[i])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1590:15: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type’ {aka ‘int’} [-Wsign-compare]
 1590 |         if (j == rotorKey[i])
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomZConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:624:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomZConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:620:20: note: ‘constraint’ declared here
  620 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomZConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:624:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomZConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:620:20: note: ‘constraint’ declared here
  620 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:635:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:629:20: note: ‘constraint’ declared here
  629 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddDistanceConstraint(int, inmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
t, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:635:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:629:20: note: ‘constraint’ declared here
  629 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:647:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:640:20: note: ‘constraint’ declared here
  640 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:647:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:640:20: note: ‘constraint’ declared here
  640 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:660:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:652:20: note: ‘constraint’ declared here
  652 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:660:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:652:20: note: ‘constraint’ declared here
  652 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddIgnore(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:580:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM <const vector(2) double> [(double *)&constraint + 16B]’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddIgnore(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:577:20: note: ‘constraint’ declared here
  577 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:591:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:587:20: note: ‘constraint’ declared here
  587 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:591:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:587:20: note: ‘constraint’ declared here
  587 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomXConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:602:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomXConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:598:20: note: ‘constraint’ declared here
  598 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomXConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:602:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomXConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:598:20: note: ‘constraint’ declared here
  598 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomYConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:613:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomYConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:609:20: note: ‘constraint’ declared here
  609 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomYConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:613:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomYConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:609:20: note: ‘constraint’ declared here
  609 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBForceField::FastRotorSearch(bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1393:29: warning: ‘minj’ may be used uninitialized [-Wmaybe-uninitialized]
 1393 |         rotorKey[idx + 1] = minj;
      |                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1319:21: note: ‘minj’ was declared here
 1319 |     unsigned int j, minj;
      |                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1410:11: warning: ‘minE’ may be used uninitialized [-Wmaybe-uninitialized]
 1410 |           if (minE < best_minE) {
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1320:22: note: ‘minE’ was declared here
 1320 |     double currentE, minE, best_minE;
      |                      ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/obiter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obiter.cpp.o -MF CMakeFiles/openbabel.dir/obiter.cpp.o.d -o CMakeFiles/openbabel.dir/obiter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obiter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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[  7%] Building CXX object src/CMakeFiles/openbabel.dir/phmodel.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/phmodel.cpp.o -MF CMakeFiles/openbabel.dir/phmodel.cpp.o.d -o CMakeFiles/openbabel.dir/phmodel.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/phmodel.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  7%] Building CXX object src/CMakeFiles/openbabel.dir/plugin.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/plugin.cpp.o -MF CMakeFiles/openbabel.dir/plugin.cpp.o.d -o CMakeFiles/openbabel.dir/plugin.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/plugin.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/plugin.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  8%] Building CXX object src/CMakeFiles/openbabel.dir/rand.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/rand.cpp.o -MF CMakeFiles/openbabel.dir/rand.cpp.o.d -o CMakeFiles/openbabel.dir/rand.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rand.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rand.cpp:428:15: warning: ‘void OpenBabel::GenerateSequence(unsigned int, unsigned int, unsigned int, unsigned int)’ defined but not used [-Wunused-function]
  428 |   static void GenerateSequence( unsigned int p, unsigned int m,
      |               ^~~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  8%] Building CXX object src/CMakeFiles/openbabel.dir/query.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/query.cpp.o -MF CMakeFiles/openbabel.dir/query.cpp.o.d -o CMakeFiles/openbabel.dir/query.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/query.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/query.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/bond.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/query.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/query.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  5%] Building CXX object src/CMakeFiles/openbabel.dir/obconversion.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obconversion.cpp.o -MF CMakeFiles/openbabel.dir/obconversion.cpp.o.d -o CMakeFiles/openbabel.dir/obconversion.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obconversion.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obconversion.cpp:48:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obconversion.cpp:37:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  7%] Building CXX object src/CMakeFiles/openbabel.dir/parsmart.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/parsmart.cpp.o -MF CMakeFiles/openbabel.dir/parsmart.cpp.o.d -o CMakeFiles/openbabel.dir/parsmart.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp: In function ‘int OpenBabel::CreateAtom(Pattern*, AtomExpr*, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp:446:15: warning: variable ‘size’ set but not used [-Wunused-but-set-variable]
  446 |     int index,size;
      |               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp: In function ‘int OpenBabel::CreateBond(Pattern*, BondExpr*, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp:478:15: warning: variable ‘size’ set but not used [-Wunused-but-set-variable]
  478 |     int index,size;
      |               ^~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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[  7%] Building CXX object src/CMakeFiles/openbabel.dir/pointgroup.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/pointgroup.cpp.o -MF CMakeFiles/openbabel.dir/pointgroup.cpp.o.d -o CMakeFiles/openbabel.dir/pointgroup.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘int OpenBabel::PointGroupPrivate::establish_pairs(SYMMETRY_ELEMENT*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:267:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  267 |         if( elem->transform[i] >= _mol->NumAtoms() ){ /* No symmetric atom yet          */
      |             ~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘int OpenBabel::PointGroupPrivate::check_transform_order(SYMMETRY_ELEMENT*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:311:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  311 |         if( elem->transform[i] == i )   /* Identity transform is Ok for any order */
      |             ~~~~~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:315:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  315 |           if( elem->transform[j] == i )
      |               ~~~~~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘int OpenBabel::PointGroupPrivate::same_transform(SYMMETRY_ELEMENT*, SYMMETRY_ELEMENT*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:358:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  358 |           if( b->transform[j] != i )
      |               ~~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘OpenBabel::OBPointGroup::Symbol OpenBabel::OBPointGroup::IdentifyPointGroupSymbol(double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:1958:37: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1958 |           || d->NormalAxesCounts[2] >= maxAxis) { // Are there the perpendicular C2 axes?
      |              ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:1961:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1961 |         if (d->PlanesCount >= maxAxis + 1) { // Likely Dnh
      |             ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:1986:33: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1986 |         else if (d->PlanesCount == maxAxis) { // Likely Dnd
      |                  ~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:2088:29: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 2088 |     else if (d->PlanesCount >= maxAxis) { // Cnv
      |              ~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘void OpenBabel::OBPointGroup::Symmetrize(OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:2175:32: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 2175 |     for (unsigned int i = 0; i < d->PlanesCount; i++)
      |                              ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:2182:32: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 2182 |     for (unsigned int i = 0; i < d->NormalAxesCount; i++)
      |                              ~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:2189:32: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 2189 |     for (unsigned int i = 0; i < d->ImproperAxesCount; i++)
      |                              ~~^~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/reactionfacade.cpp.o -MF CMakeFiles/openbabel.dir/reactionfacade.cpp.o.d -o CMakeFiles/openbabel.dir/reactionfacade.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/reactionfacade.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/reactionfacade.cpp: In member function ‘void OpenBabel::OBReactionFacadePrivate::FindComponents()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/reactionfacade.cpp:122:15: warning: unused variable ‘atm’ [-Wunused-variable]
  122 |       OBAtom* atm = &*atom;
      |               ^~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/residue.cpp.o -MF CMakeFiles/openbabel.dir/residue.cpp.o.d -o CMakeFiles/openbabel.dir/residue.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/residue.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/rotamer.cpp.o -MF CMakeFiles/openbabel.dir/rotamer.cpp.o.d -o CMakeFiles/openbabel.dir/rotamer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp: In member function ‘void OpenBabel::OBRotamerList::AddRotamer(std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp:410:11: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  410 |           while (angle < 0.0)
      |           ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp:412:17: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  412 |                 while (angle > 360.0)
      |                 ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp: In member function ‘bool OpenBabel::OBRotamerList::SetCurrentCoordinates(OpenBabel::OBMol&, std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp:543:11: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  543 |           while (angle < 0.0)
      |           ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp:545:17: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  545 |                 while (angle > 360.0)
      |                 ^~~~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/tokenst.cpp.o -MF CMakeFiles/openbabel.dir/tokenst.cpp.o.d -o CMakeFiles/openbabel.dir/tokenst.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/tokenst.cpp
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[  9%] Building CXX object src/CMakeFiles/openbabel.dir/spectrophore.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/spectrophore.cpp.o -MF CMakeFiles/openbabel.dir/spectrophore.cpp.o.d -o CMakeFiles/openbabel.dir/spectrophore.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/spectrophore.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  9%] Building CXX object src/CMakeFiles/openbabel.dir/tautomer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/tautomer.cpp.o -MF CMakeFiles/openbabel.dir/tautomer.cpp.o.d -o CMakeFiles/openbabel.dir/tautomer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/tautomer.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/tautomer.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/tautomer.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/tautomer.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  9%] Building CXX object src/CMakeFiles/openbabel.dir/rotor.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/rotor.cpp.o -MF CMakeFiles/openbabel.dir/rotor.cpp.o.d -o CMakeFiles/openbabel.dir/rotor.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotor.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/transform.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/transform.cpp.o -MF CMakeFiles/openbabel.dir/transform.cpp.o.d -o CMakeFiles/openbabel.dir/transform.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/transform.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/transform.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/transform.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[  5%] Building CXX object src/CMakeFiles/openbabel.dir/mol.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/mol.cpp.o -MF CMakeFiles/openbabel.dir/mol.cpp.o.d -o CMakeFiles/openbabel.dir/mol.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp: In member function ‘unsigned int OpenBabel::OBMol::NumHvyAtoms()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:809:30: warning: unnecessary parentheses in declaration of ‘i’ [-Wparentheses]
  809 |     vector<OBAtom*>::iterator(i);
      |                              ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:809:30: note: remove parentheses
  809 |     vector<OBAtom*>::iterator(i);
      |                              ^~~
      |                              - -
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp: In member function ‘unsigned int OpenBabel::OBMol::GetTotalSpinMultiplicity()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:1221:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1221 |         if (chg % 2 != unpaired_electrons %2)
      |             ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/bond.h:32,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:23:
In member function ‘OpenBabel::OBAtom::GetIdx() const’,
    inlined from ‘OpenBabel::OBMol::CopySubstructure(OpenBabel::OBMol&, OpenBabel::OBBitVec*, OpenBabel::OBBitVec*, unsigned int, std::vector<unsigned int, std::allocator<unsigned int> >*, std::vector<unsigned int, std::allocator<unsigned int> >*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:4289:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/atom.h:189:63: warning: ‘atomB’ may be used uninitialized [-Wmaybe-uninitialized]
  189 |       unsigned int GetIdx()           const { return((int)_idx);  }
      |                                                               ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp: In member function ‘OpenBabel::OBMol::CopySubstructure(OpenBabel::OBMol&, OpenBabel::OBBitVec*, OpenBabel::OBBitVec*, unsigned int, std::vector<unsigned int, std::allocator<unsigned int> >*, std::vector<unsigned int, std::allocator<unsigned int> >*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:4273:21: note: ‘atomB’ was declared here
 4273 |             OBAtom *atomB, *atomE;
      |                     ^~~~~
In member function ‘OpenBabel::OBAtom::GetIdx() const’,
    inlined from ‘OpenBabel::OBMol::CopySubstructure(OpenBabel::OBMol&, OpenBabel::OBBitVec*, OpenBabel::OBBitVec*, unsigned int, std::vector<unsigned int, std::allocator<unsigned int> >*, std::vector<unsigned int, std::allocator<unsigned int> >*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:4289:62:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/atom.h:189:63: warning: ‘atomE’ may be used uninitialized [-Wmaybe-uninitialized]
  189 |       unsigned int GetIdx()           const { return((int)_idx);  }
      |                                                               ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp: In member function ‘OpenBabel::OBMol::CopySubstructure(OpenBabel::OBMol&, OpenBabel::OBBitVec*, OpenBabel::OBBitVec*, unsigned int, std::vector<unsigned int, std::allocator<unsigned int> >*, std::vector<unsigned int, std::allocator<unsigned int> >*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:4273:29: note: ‘atomE’ was declared here
 4273 |             OBAtom *atomB, *atomE;
      |                             ^~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/typer.cpp.o -MF CMakeFiles/openbabel.dir/typer.cpp.o.d -o CMakeFiles/openbabel.dir/typer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/typer.cpp
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[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o -MF CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o.d -o CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/dlhandler_unix.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/obmolecformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obmolecformat.cpp.o -MF CMakeFiles/openbabel.dir/obmolecformat.cpp.o.d -o CMakeFiles/openbabel.dir/obmolecformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obmolecformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obmolecformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obmolecformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obmolecformat.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o -MF CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o.d -o CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/math/matrix3x3.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o -MF CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o.d -o CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/svgpainter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/svgpainter.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h: In constructor ‘OpenBabel::SVGPainter::SVGPainter(std::ostream&, std::set<std::pair<OpenBabel::OBColor, OpenBabel::OBColor> >*, bool, double, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h:77:11: warning: ‘OpenBabel::SVGPainter::m_fontPointSize’ will be initialized after [-Wreorder]
   77 |       int m_fontPointSize;
      |           ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h:75:12: warning:   ‘bool OpenBabel::SVGPainter::m_isFillcolor’ [-Wreorder]
   75 |       bool m_isFillcolor;
      |            ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/svgpainter.cpp:34:3: warning:   when initialized here [-Wreorder]
   34 |   SVGPainter::SVGPainter(ostream& ofs, std::set<ColorGradient>* gradients, bool withViewBox,
      |   ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h:75:12: warning: ‘OpenBabel::SVGPainter::m_isFillcolor’ will be initialized after [-Wreorder]
   75 |       bool m_isFillcolor;
      |            ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h:74:32: warning:   ‘std::set<std::pair<OpenBabel::OBColor, OpenBabel::OBColor> >* OpenBabel::SVGPainter::m_Gradients’ [-Wreorder]
   74 |       std::set<ColorGradient> *m_Gradients;
      |                                ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/svgpainter.cpp:34:3: warning:   when initialized here [-Wreorder]
   34 |   SVGPainter::SVGPainter(ostream& ofs, std::set<ColorGradient>* gradients, bool withViewBox,
      |   ^~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 12%] Building CXX object src/CMakeFiles/openbabel.dir/math/transform3d.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/math/transform3d.cpp.o -MF CMakeFiles/openbabel.dir/math/transform3d.cpp.o.d -o CMakeFiles/openbabel.dir/math/transform3d.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/math/transform3d.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 12%] Building CXX object src/CMakeFiles/openbabel.dir/math/vector3.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/math/vector3.cpp.o -MF CMakeFiles/openbabel.dir/math/vector3.cpp.o.d -o CMakeFiles/openbabel.dir/math/vector3.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/math/vector3.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/confsearch.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/confsearch.cpp.o -MF CMakeFiles/openbabel.dir/confsearch.cpp.o.d -o CMakeFiles/openbabel.dir/confsearch.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/atom.h:30,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp: In constructor ‘OpenBabel::OBDiversePoses::OBDiversePoses(const OpenBabel::OBMol&, double, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:134:66: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = less<double>; _Tp = double]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  134 |     vec.erase(std::remove_if(vec.begin(), vec.end(), std::bind2nd(std::less<double>(), (cutoff + 0.1) )), vec.end());
      |                                                      ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441:
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp: In member function ‘bool OpenBabel::OBDiversePoses::AddPose(std::vector<OpenBabel::vector3>, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:189:14: warning: unused variable ‘min_rmsd’ [-Wunused-variable]
  189 |       double min_rmsd = DBL_MAX;
      |              ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp: In member function ‘int OpenBabel::OBForceField::DiverseConfGen(double, unsigned int, double, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:444:77: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = plus<double>; _Tp = double]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  444 |     transform(_energies.begin(), _energies.end(), _energies.begin(), bind2nd(std::plus<double>(), energy_offset));
      |                                                                      ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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[ 13%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/tetraplanar.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/tetraplanar.cpp.o -MF CMakeFiles/openbabel.dir/stereo/tetraplanar.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/tetraplanar.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/tetraplanar.cpp
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[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/depict/depict.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/depict/depict.cpp.o -MF CMakeFiles/openbabel.dir/depict/depict.cpp.o.d -o CMakeFiles/openbabel.dir/depict/depict.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp: In function ‘unsigned int OpenBabel::GetAtomSymClass(OBAtom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:284:11: warning: unused variable ‘nclasses’ [-Wunused-variable]
  284 |       int nclasses = end_pos - copy_sym.begin();
      |           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp: In member function ‘virtual void OpenBabel::OBDepictPrivate::DrawAtomLabel(const std::string&, int, const OpenBabel::vector3&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1024:21: warning: variable ‘metrics’ set but not used [-Wunused-but-set-variable]
 1024 |       OBFontMetrics metrics = painter->GetFontMetrics(str);
      |                     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1029:21: warning: variable ‘metrics’ set but not used [-Wunused-but-set-variable]
 1029 |       OBFontMetrics metrics = painter->GetFontMetrics(subscript);
      |                     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp: In member function ‘void OpenBabel::OBDepictPrivateBallAndStick::DrawAromaticRingBond(OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, const OpenBabel::vector3&, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1238:99: warning: expression does not compute the number of elements in this array; element type is ‘const float’, not ‘double’ [-Wsizeof-array-div]
 1238 |     static const vector<double> pat = vector<double>(dashpattern,dashpattern + sizeof(dashpattern)/sizeof(double));
      |                                                                                ~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1238:100: note: add parentheses around ‘sizeof (double)’ to silence this warning
 1238 |     static const vector<double> pat = vector<double>(dashpattern,dashpattern + sizeof(dashpattern)/sizeof(double));
      |                                                                                                    ^~~~~~~~~~~~~~
      |                                                                                                    (             )
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1237:24: note: array ‘dashpattern’ declared here
 1237 |     static const float dashpattern[] = {5., 5.};
      |                        ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp: In member function ‘OpenBabel::OBDepict::DrawMolecule(OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:462:22: warning: ‘min_x’ may be used uninitialized [-Wmaybe-uninitialized]
  462 |       width  = max_x - min_x + 2*margin;
      |                ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:435:14: note: ‘min_x’ was declared here
  435 |       double min_x, max_x;
      |              ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:462:22: warning: ‘max_x’ may be used uninitialized [-Wmaybe-uninitialized]
  462 |       width  = max_x - min_x + 2*margin;
      |                ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:435:21: note: ‘max_x’ was declared here
  435 |       double min_x, max_x;
      |                     ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:463:22: warning: ‘min_y’ may be used uninitialized [-Wmaybe-uninitialized]
  463 |       height = max_y - min_y + 2*margin;
      |                ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:436:14: note: ‘min_y’ was declared here
  436 |       double min_y, max_y;
      |              ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:463:22: warning: ‘max_y’ may be used uninitialized [-Wmaybe-uninitialized]
  463 |       height = max_y - min_y + 2*margin;
      |                ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:436:21: note: ‘max_y’ was declared here
  436 |       double min_y, max_y;
      |                     ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:465:25: warning: ‘min_z’ may be used uninitialized [-Wmaybe-uninitialized]
  465 |       d->zScale = max_z - min_z;
      |                   ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:437:14: note: ‘min_z’ was declared here
  437 |       double min_z, max_z;
      |              ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:465:25: warning: ‘max_z’ may be used uninitialized [-Wmaybe-uninitialized]
  465 |       d->zScale = max_z - min_z;
      |                   ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:437:21: note: ‘max_z’ was declared here
  437 |       double min_z, max_z;
      |                     ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/conformersearch.cpp.o -MF CMakeFiles/openbabel.dir/conformersearch.cpp.o.d -o CMakeFiles/openbabel.dir/conformersearch.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/conformersearch.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘virtual double OpenBabel::OBMinimizingRMSDConformerScore::Score(OpenBabel::OBMol&, unsigned int, const OpenBabel::RotorKeys&, const std::vector<double*>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:250:12: warning: unused variable ‘score’ [-Wunused-variable]
  250 |     double score = ff->Energy(false); // no gradients
      |            ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘bool OpenBabel::OBConformerSearch::Setup(const OpenBabel::OBMol&, int, int, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:352:23: warning: variable ‘end_it’ set but not used [-Wunused-but-set-variable]
  352 |       OBRotorIterator end_it = m_rotorList.EndRotors();
      |                       ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘int OpenBabel::OBConformerSearch::local_opt()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:790:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘size_t’ {aka ‘long unsigned int’} [-Wsign-compare]
  790 |     for (i = 1; i <= m_rotorList.Size(); ++i, rotor = m_rotorList.NextRotor(ri))
      |                 ~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘int OpenBabel::OBConformerSearch::reproduce(OpenBabel::RotorKey&, OpenBabel::RotorKey&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:851:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  851 |     if (iniche > -1)
      |         ~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘int OpenBabel::OBConformerSearch::share_fitness()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1006:37: warning: comparison of integer expressions of different signedness: ‘std::vector<std::vector<int> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 1006 |         if ((dynamic_niches.size () < nb_niches) && (dynamic_niches.size () %2))
      |              ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1021:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1021 |                     if (dist < min_dist )
      |                         ~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1034:18: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 1034 |         if (imax == -1)
      |             ~~~~~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1051:40: warning: comparison of integer expressions of different signedness: ‘std::vector<std::vector<int> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 1051 |             if (dynamic_niches.size () < nb_niches)
      |                 ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:977:10: warning: unused variable ‘flag_niched’ [-Wunused-variable]
  977 |     bool flag_niched = false;
      |          ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘double OpenBabel::OBConformerSearch::sharing_generation()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1140:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1140 |     while (ninsert < ((half_pop * 2) / 3))
      |            ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1149:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1149 |             if (iround < imax)
      |                 ~~~~~~~^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1157:33: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1157 |                     if (ninsert >= half_pop)
      |                         ~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1182:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1182 |     while (ninsert < half_pop)
      |            ~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1106:23: warning: unused variable ‘lowest’ [-Wunused-variable]
 1106 |     double sum = 0.0, lowest = 0.0, highest = 0.0;
      |                       ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1106:37: warning: unused variable ‘highest’ [-Wunused-variable]
 1106 |     double sum = 0.0, lowest = 0.0, highest = 0.0;
      |                                     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘OpenBabel::OBConformerSearch::MakeSelection()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:550:31: warning: ‘highest’ may be used uninitialized [-Wmaybe-uninitialized]
  550 |     double sum = 0.0, lowest, highest;
      |                               ^~~~~~~
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/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:423:5: warning: multi-line comment [-Wcomment]
  423 |     //                             /     \
      |     ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TSimpleMolecule::threeBondResolve(int, int, double&, double&, OpenBabel::neighbourlist*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:968:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  968 |     for (i=0; i<bk[an].nb; i++) {
      |               ~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:970:13: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  970 |       if (n != bondExcluded) {
      |           ~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:982:26: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  982 |               for (k=0; k<rs; k++) if (bondList[k] == (*blStore)[j]) {
      |                         ~^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:995:22: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  995 |           for (j=0; j<rs; j++) {
      |                     ~^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1017:20: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 1017 |         for (i=0; i<nAtoms(); i++) {
      |                   ~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::deleteAtom(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1396:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 1396 |     for (i=0; i<nAtoms(); i++) if (i != index) {
      |               ~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1396:38: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 1396 |     for (i=0; i<nAtoms(); i++) if (i != index) {
      |                                    ~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TSimpleMolecule::makeFragment(std::vector<int>&, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1471:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1471 |           for (j=0; j<list.size(); j++) if (list[j] == l) test1=true;
      |                     ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1478:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1478 |     } while (k<list.size());
      |              ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::defC(int&, int, int, std::vector<int>&, std::vector<int>&, std::vector<std::vector<int> >&, std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2009:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2009 |           for (j=0; j<atomCycle[i].size(); j++) if (atomDefine[atomCycle[i][j]]>0) atDef=atDef+1;
      |                     ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2019:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2019 |       if (cN>=0) if (maxAtDef==atomCycle[cN].size()) {
      |                      ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2034:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2034 |           for (j=1; j<atomCycle[cN].size(); j++) atomCycle[cN][j-1]=atomCycle[cN][j];
      |                     ~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2040:45: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2040 |         for (j=0;currNumDef < atomClean && j<atomCycle[cN].size()-maxAtDef; j++) {
      |                                            ~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::defA(int&, int, int, int, std::vector<int>&, std::vector<int>, std::vector<int>&, std::vector<std::vector<int> >&, std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2107:98: warning: comparison of integer expressions of different signedness: ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 2107 |       if (baseCycle>0) for (i=0; i<baseCycle; i++) if (cycleDefine[i]==0) if (atomCycle[i].size()<j) {
      |                                                                               ~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::redraw(std::vector<int>, std::vector<int>, int, int&, int, int, int, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2238:67: warning: comparison of integer expressions of different signedness: ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 2238 |         for (j=0; j<baseCycle; j++) if(cycleDescription[j].size() == cs) {
      |                                        ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2240:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2240 |             for (k=0; k<cycleDescription[j].size(); k++) if (bondList[k] != cycleDescription[j][k]) {
      |                       ~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2264:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2264 |       for (j=1; j<cycleDescription[i].size(); j++) {
      |                 ~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2575:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2575 |               if ((nb + i) > dsATN.size()) nb=dsATN.size()-i; // Check added to avoid segfault below, see issue #1851
      |                   ~~~~~~~~~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::flipSmall(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2985:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2985 |       for (i=0; i<list1.size(); i++) {
      |                 ~^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2965:10: warning: variable ‘test’ set but not used [-Wunused-but-set-variable]
 2965 |     bool test;
      |          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::bondEnlarge(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3024:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3024 |     for (i=0; i<list.size(); i++) { //coordinates change
      |               ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3002:10: warning: variable ‘test’ set but not used [-Wunused-but-set-variable]
 3002 |     bool test;
      |          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TSimpleMolecule::correctDblBondStereo()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3103:26: warning: comparison of integer expressions of different signedness: ‘short int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3103 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom1] || bond->at[1]==dblbond->bstereo_refs[ref_atom1])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3103:75: warning: comparison of integer expressions of different signedness: ‘short int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3103 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom1] || bond->at[1]==dblbond->bstereo_refs[ref_atom1])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3105:26: warning: comparison of integer expressions of different signedness: ‘short int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3105 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom2] || bond->at[1]==dblbond->bstereo_refs[ref_atom2])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3105:75: warning: comparison of integer expressions of different signedness: ‘short int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3105 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom2] || bond->at[1]==dblbond->bstereo_refs[ref_atom2])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘bool OpenBabel::compareAtoms(int, int, std::vector<std::vector<int>*>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3127:37: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::vector<int>*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3127 |     if ((a1 < 0) || (a2 < 0) || (a1 >= aeqList.size()) || (a2 >= aeqList.size())) return result;
      |                                  ~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3127:63: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::vector<int>*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3127 |     if ((a1 < 0) || (a2 < 0) || (a1 >= aeqList.size()) || (a2 >= aeqList.size())) return result;
      |                                                            ~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::makeEquivalentList(std::vector<int>&, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3291:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3291 |       for (j=0; j<lL->size(); j++) (*lL)[i]=0;
      |                 ~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3299:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3299 |     for (i=0; i<equivalenceList.size(); i++) equivalenceList[i]=0;
      |               ~^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3309:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::vector<int>*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3309 |     for (int i=0; i<aeqList.size(); i++) delete(aeqList.at(i));
      |                   ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘bool OpenBabel::incrementValues(std::vector<int>&, std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3325:13: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘const __gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type’ {aka ‘const int’} [-Wsign-compare]
 3325 |       if (l <= maxValues[i]) {
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘int OpenBabel::TSimpleMolecule::correctOverlapped()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3374:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3374 |       for (i=0; i<rotBondList.size(); i++)
      |                 ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3427:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3427 |           for (i=0; i<inner_bonds.size(); i++) if (inner_bonds[i] != 0) {
      |                     ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3437:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3437 |           for (i=0; i<remainder.size(); i++) {
      |                     ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘void OpenBabel::deleteIntElement(std::vector<int>*, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3540:44: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 3540 |     for (i=0; i<source->size(); i++) if (i != index) {
      |                                          ~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TEditedMolecule::addAsTemplate(OpenBabel::TEditedMolecule&, int, int, int, int, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4216:19: warning: variable ‘nBondsOld’ set but not used [-Wunused-but-set-variable]
 4216 |     int nAtomsOld,nBondsOld,naDef1,naDef,i;
      |                   ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4217:10: warning: variable ‘test’ set but not used [-Wunused-but-set-variable]
 4217 |     bool test,test1,test2;
      |          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4217:15: warning: variable ‘test1’ set but not used [-Wunused-but-set-variable]
 4217 |     bool test,test1,test2;
      |               ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4217:21: warning: variable ‘test2’ set but not used [-Wunused-but-set-variable]
 4217 |     bool test,test1,test2;
      |                     ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4219:40: warning: variable ‘xCenter’ set but not used [-Wunused-but-set-variable]
 4219 |     double r,scale,xOld,yOld,xNew,yNew,xCenter,yCenter;
      |                                        ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4219:48: warning: variable ‘yCenter’ set but not used [-Wunused-but-set-variable]
 4219 |     double r,scale,xOld,yOld,xNew,yNew,xCenter,yCenter;
      |                                                ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘OpenBabel::TEditedMolecule* OpenBabel::TEditedMolecule::extractFragment(int, std::vector<int>*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4410:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4410 |     if (list.size()>1) for (i=0; i<(list.size()-1); i++) for (j=i+1; j<list.size(); j++) if (list[i]>list[j]) {
      |                                  ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4410:71: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4410 |     if (list.size()>1) for (i=0; i<(list.size()-1); i++) for (j=i+1; j<list.size(); j++) if (list[i]>list[j]) {
      |                                                                      ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4415:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4415 |     for (i=0; i<list.size(); i++) inverseList[list[i]]=i;
      |               ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4418:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4418 |     for (i=0; i<list.size(); i++) {
      |               ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4399:10: warning: variable ‘test’ set but not used [-Wunused-but-set-variable]
 4399 |     bool test;
      |          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘int OpenBabel::TEditedMolecule::prepareQuery(OpenBabel::TSimpleMolecule&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4591:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4591 |       for (j=0; j<queryInverse.size(); j++) queryInverse[j]=queryAQTested[j];
      |                 ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4596:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4596 |       for (i=0; i<queryQHydr.size(); i++) queryQHydr[i]=queryBQTested[i];
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4601:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4601 |       for (i=0; i<bSTestedStore.size(); i++) bSTestedStore[i]=bSTested[i];
      |                 ~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TEditedMolecule::removeHydrogen(std::vector<int>*, std::vector<int>*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4636:31: warning: comparison of integer expressions of different signedness: ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 4636 |       if (qEnumerator->size() != nAtoms()) qEnumerator->resize(nAtoms());
      |           ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4637:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4637 |       for (i=0; i<qEnumerator->size(); i++) (*qEnumerator)[i]=i;
      |                 ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4666:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4666 |             for (j=0; j<qEnumerator->size(); j++) {
      |                       ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TEditedMolecule::fragmentSearch(OpenBabel::TEditedMolecule*, std::vector<int>*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4853:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4853 |     if (molecule1->listarSize()>aSTested.size()) aSTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4854:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4854 |     if (molecule1->listarSize()>bSTested.size()) bSTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4855:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4855 |     if (molecule1->listarSize()>queryQHydr.size()) queryQHydr.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4856:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4856 |     if (molecule1->listarSize()>queryAQTested.size()) queryAQTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4857:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4857 |     if (molecule1->listarSize()>queryBQTested.size()) queryBQTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4858:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4858 |     if (molecule1->listarSize()>queryCurrentAssignment.size()) queryCurrentAssignment.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4859:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4859 |     if (this->listarSize()>queryAQTested.size()) queryAQTested.resize(this->listarSize());
      |         ~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5036:10: warning: suggest explicit braces to avoid ambiguous ‘else’ [-Wdangling-else]
 5036 |       if (test2) for (j=0; j<molecule1->nBonds(); j++) if (bSTested[j]>=0) (*bondLabel)[j]=1; else (*bondLabel)[j]=0;
      |          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4840:9: warning: variable ‘cycleNumber’ set but not used [-Wunused-but-set-variable]
 4840 |     int cycleNumber;
      |         ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TemplateRedraw::loadTemplates()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5115:24: warning: catching polymorphic type ‘class std::exception’ by value [-Wcatch-value=]
 5115 |     } catch (exception ex) {
      |                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TemplateRedraw::internalBondsPresent(OpenBabel::TEditedMolecule*, OpenBabel::TSimpleMolecule*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5205:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 5205 |     for (i=0; i<mQuery->nAtoms(); i++) aList[mQuery->queryAQTested[i]]=1;
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5206:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 5206 |     for (i=0; i<mQuery->nBonds(); i++) bList[mQuery->queryBQTested[i]]=1;
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TemplateRedraw::rotateBondVertically(OpenBabel::TSimpleMolecule*, std::vector<int>, int, double, double, double&, double&, double&, double&, double&, double&, int&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5236:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5236 |     for (i=0; i<bondList.size(); i++) {
      |               ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5281:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5281 |     for (i=0; i<bondList.size(); i++) {
      |               ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TemplateRedraw::selectFragmentConfiguration(OpenBabel::TSimpleMolecule*, std::vector<int>*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5315:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5315 |       for (i=0; i<atomList->size(); i++) {
      |                 ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5332:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5332 |       for (i=0; i<bondListAll.size(); i++) bondList[i]=bondListAll[i];
      |                 ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5362:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5362 |         for (i=0; i<bondList.size(); i++) {
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5372:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5372 |         for (i=0; i<bondList.size(); i++) {
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TemplateRedraw::rescaleSingleFragment(OpenBabel::TSimpleMolecule*, std::vector<int>*, OpenBabel::PartFragmentDefinition&, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5403:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5403 |     for (i=0; i<atomList->size(); i++) {
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5416:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5416 |       for (i=0; i<atomList->size(); i++) {
      |                 ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5432:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5432 |     for (i=0; i<atomList->size(); i++) {
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘int OpenBabel::TemplateRedraw::coordinatesPrepare(OpenBabel::TEditedMolecule&, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5671:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5671 |     for (i=kk; i<queryData.size(); i++) if ((TEditedMolecule *)queryData[i]->fragmentSearch(&sm,nullptr)) {
      |                ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5719:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5719 |       for (i=0; i<enumerator.size(); i++) enumerator[i]=-1;
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5722:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5722 |       for (i=0; i<enumerator.size(); i++) if (enumerator[i]==-1) {
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5730:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5730 |         for (j=0; j<enumerator.size(); j++)  if (enumerator[j]==i) {
      |                   ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5802:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5802 |       for (i=0; i<groupsFind.size(); i++) {
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5832:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5832 |     for (i=0; i<groupsFind.size(); i++) delete(groupsFind[i]);
      |               ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5660:9: warning: variable ‘naStore’ set but not used [-Wunused-but-set-variable]
 5660 |     int naStore;
      |         ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TemplateRedraw::redrawFine(OpenBabel::TSimpleMolecule&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5898:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5898 |         for (j=0; j<atomList.size(); j++) {
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5910:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5910 |       for (frCount=0; frCount<molList.size(); frCount++) {
      |                       ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5926:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5926 |     for (frCount=0; frCount<molList.size(); frCount++) {
      |                     ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5949:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5949 |       for (i=0; i<atomList.size(); i++) atomList[i]=i;
      |                 ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5964:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5964 |     for (frCount=0; frCount<molList.size(); frCount++) {
      |                     ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6004:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::PartFragmentDefinition*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6004 |       for (i=0;i<frList.size(); i++) {
      |                ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6011:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::PartFragmentDefinition*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6011 |       for (i=0; i<frList.size(); i++) {
      |                 ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6030:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::StereoBondStore*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6030 |     for (i=0; i<stereoBondList.size(); i++) {
      |               ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6038:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::StereoBondStore*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6038 |     for (i=0; i<stereoBondList.size(); i++) delete(stereoBondList[i]);
      |               ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6039:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::PartFragmentDefinition*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6039 |     for (i=0; i<frList.size(); i++) delete(frList[i]);
      |               ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6040:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6040 |     for (i=0; i<molList.size(); i++) delete(molList[i]);
      |               ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘int OpenBabel::indexOf(std::string, std::string, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6362:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘const std::__cxx11::basic_string<char>::size_type’ {aka ‘const long unsigned int’} [-Wsign-compare]
 6362 |     if (result == string::npos) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6363:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6363 |     if (result >= instring.length()) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘std::string OpenBabel::getAtomMCDL(OBMol*, int, std::vector<int>, std::vector<int>, std::vector<int>, std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6550:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6550 |         for (j=0; j<priority.size(); j++) priority[j]=0;
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6595:43: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6595 |     if (anumStereo.size() > 1) for (i=0; i<(anumStereo.size()-1); i++) if (anumStereo[i] >= 0) {
      |                                          ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6597:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6597 |           for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) n++;
      |                       ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6603:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6603 |             for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) {
      |                         ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6613:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6613 |               for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) anumStereo[j]=-1;
      |                           ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6616:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6616 |               for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) anumStereo[j]=-2;
      |                           ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6627:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6627 |       if (k == 1) for (i=0; i<anumStereo.size(); i++) if (anumStereo[i] == -1) {  //all parities should be changed to satisfy..
      |                             ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6636:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6636 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6636:69: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6636 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                                                    ~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6646:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6646 |       for (i=0; i < v.size(); i++) {
      |                 ~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘std::string OpenBabel::getBondMCDL(OBMol*, int, int, std::vector<int>, std::vector<int>, int (*)[4], std::vector<int>, std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6847:43: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6847 |     if (anumStereo.size() > 1) for (i=0; i<(anumStereo.size()-1); i++) if (anumStereo[i] >= 0) {
      |                                          ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6849:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6849 |           for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) n++;
      |                       ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6854:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6854 |             for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) {
      |                         ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6868:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6868 |                 for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) {
      |                             ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6876:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6876 |             for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) anumStereo[j]=-1;
      |                         ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6881:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6881 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6881:69: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6881 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                                                    ~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6891:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6891 |       for (i=0; i < v.size(); i++) {
      |                 ~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6684:26: warning: variable ‘n4’ set but not used [-Wunused-but-set-variable]
 6684 |     int i,j,n,m,n1,n2,n3,n4,an1,an2,an3,an4,k;
      |                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘void OpenBabel::implementAtomStereo(std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<double>, std::vector<double>, int, int, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6964:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6964 |         if (n1 < (astereo.length()-1)) astereo=astereo.substr(n1+1); else astereo="";
      |             ~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘void OpenBabel::implementBondStereo(std::vector<int>, std::vector<int>, std::vector<double>&, std::vector<double>&, int, int, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7028:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7028 |         if (n1 < (bstereo.length()-1)) bstereo=bstereo.substr(n1+1); else bstereo="";
      |             ~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7071:34: warning: catching polymorphic type ‘class std::exception’ by value [-Wcatch-value=]
 7071 |               } catch (exception ex) {
      |                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7085:34: warning: catching polymorphic type ‘class std::exception’ by value [-Wcatch-value=]
 7085 |               } catch (exception ex) {
      |                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘int OpenBabel::groupRedraw(OBMol*, int, int, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7163:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7163 |       for (i=0; i<atomList.size(); i++) allAtomList[atomList[i]]=1;
      |                 ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7171:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7171 |       for (int i=0; i<atomList.size(); i++) {
      |                     ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘bool OpenBabel::parseFormula(std::string, std::vector<int>&, int&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7213:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7213 |             if (n<value.length()) if ((value.at(n)>='0') && (value.at(n)<='9')) {
      |                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7216:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7216 |                 while ((n2<(value.length()-1)) && (value.at(n2)>='0') && (value.at(n2)<='9')) n2++;
      |                         ~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7237:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7237 |             if (n<value.length()) if ((value.at(n)>='0') && (value.at(n)<='9')) {
      |                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7240:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7240 |                 while ((n2<(value.length()-1)) && (value.at(n2)>='0') && (value.at(n2)<='9')) n2++;
      |                         ~~^~~~~~~~~~~~~~~~~~~
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[ 14%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/facade.cpp.o
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 14%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o -MF CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/gen3dstereohelper.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/gen3dstereohelper.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/gen3dstereohelper.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/gen3dstereohelper.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 14%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/perception.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/perception.cpp.o -MF CMakeFiles/openbabel.dir/stereo/perception.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/perception.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp: In function ‘bool OpenBabel::TetStereoToWedgeHash(OBMol&, std::map<OBBond*, OBStereo::BondDirection>&, std::map<OBBond*, long unsigned int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:2795:5: warning: this ‘for’ clause does not guard... [-Wmisleading-indentation]
 2795 |     for (std::vector<OBGenericData*>::iterator data = vdata.begin(); data != vdata.end(); ++data)
      |     ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:2951:7: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘for’
 2951 |       return true;
      |       ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp: In function ‘void OpenBabel::StereoRefToImplicit(OBMol&, OBStereo::Ref)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:2973:16: warning: ‘template<class _Operation> class std::binder1st’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
 2973 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_atomId = std::bind1st (equal_to<OBStereo::Ref>(), atomId);
      |                ^~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441,
                 from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/stereo/stereo.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/stereo/tetranonplanar.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/stereo/tetrahedral.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:26:
/usr/include/c++/15/backward/binders.h:108:11: note: declared here
  108 |     class binder1st
      |           ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:2973:88: warning: ‘std::binder1st<_Operation> std::bind1st(const _Operation&, const _Tp&) [with _Operation = equal_to<long unsigned int>; _Tp = long unsigned int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
 2973 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_atomId = std::bind1st (equal_to<OBStereo::Ref>(), atomId);
      |                                                                           ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:136:5: note: declared here
  136 |     bind1st(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp: In function ‘void OpenBabel::ImplicitRefToStereo(OBMol&, OBStereo::Ref, OBStereo::Ref)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:3005:16: warning: ‘template<class _Operation> class std::binder1st’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
 3005 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_implicitRef = std::bind1st (equal_to<OBStereo::Ref>(), (OBStereo::Ref) OBStereo::ImplicitRef);
      |                ^~~~~~~~~
/usr/include/c++/15/backward/binders.h:108:11: note: declared here
  108 |     class binder1st
      |           ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:3005:93: warning: ‘std::binder1st<_Operation> std::bind1st(const _Operation&, const _Tp&) [with _Operation = equal_to<long unsigned int>; _Tp = long unsigned int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
 3005 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_implicitRef = std::bind1st (equal_to<OBStereo::Ref>(), (OBStereo::Ref) OBStereo::ImplicitRef);
      |                                                                                ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:136:5: note: declared here
  136 |     bind1st(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 12%] Building CXX object src/CMakeFiles/openbabel.dir/math/align.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/math/align.cpp.o -MF CMakeFiles/openbabel.dir/math/align.cpp.o.d -o CMakeFiles/openbabel.dir/math/align.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/math/align.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/distgeom.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/distgeom.cpp.o -MF CMakeFiles/openbabel.dir/distgeom.cpp.o.d -o CMakeFiles/openbabel.dir/distgeom.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:54: warning: ignoring ‘#pragma warning ’ [-Wunknown-pragmas]
   54 | #pragma warning(disable : 4244) // warning C4244: '=' : conversion from 'double' to 'float', possible loss of data
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:55: warning: ignoring ‘#pragma warning ’ [-Wunknown-pragmas]
   55 | #pragma warning(disable : 4305) // warning C4305: '*=' : truncation from 'double' to 'float'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:619:3: warning: multi-line comment [-Wcomment]
  619 |   //              \
      |   ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:38:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/distgeom.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘bool OpenBabel::OBDistanceGeometry::generateInitialCoords()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1089:16: warning: unused variable ‘lb’ [-Wunused-variable]
 1089 |         double lb = _d->GetLowerBounds(i, j);
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1090:16: warning: unused variable ‘ub’ [-Wunused-variable]
 1090 |         double ub = _d->GetUpperBounds(i, j);
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘bool OpenBabel::OBDistanceGeometry::firstMinimization()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1136:16: warning: unused variable ‘lb’ [-Wunused-variable]
 1136 |         double lb = _d->GetLowerBounds(i, j);
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1137:16: warning: unused variable ‘ub’ [-Wunused-variable]
 1137 |         double ub = _d->GetUpperBounds(i, j);
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1115:9: warning: unused variable ‘niter’ [-Wunused-variable]
 1115 |     int niter = solver.minimize(fun, _coord, fx);
      |         ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘bool OpenBabel::OBDistanceGeometry::minimizeFourthDimension()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1160:9: warning: unused variable ‘niter’ [-Wunused-variable]
 1160 |     int niter = solver.minimize(fun, _coord, fx);
      |         ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘double OpenBabel::DistGeomFunc::operator()(const Eigen::VectorXd&, Eigen::VectorXd&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1325:23: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘Eigen::Index’ {aka ‘long int’} [-Wsign-compare]
 1325 |     for (size_t i=0; i<grad.rows(); i++) {
      |                      ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘double OpenBabel::DistGeomFunc4D::operator()(const Eigen::VectorXd&, Eigen::VectorXd&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1452:23: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘Eigen::Index’ {aka ‘long int’} [-Wsign-compare]
 1452 |     for (size_t i=0; i<grad.rows(); i++) {
      |                      ~^~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:341,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/distgeom.h:34:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h: In function ‘Eigen::internal::trmv_selector<6, 1>::run<Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const>, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const>, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> > >(Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const> const&, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const> const&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >::Scalar const&)void [clone .isra.0]’:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:332:12: warning: ‘result_47’ may be used uninitialized [-Wmaybe-uninitialized]
  327 |     internal::triangular_matrix_vector_product
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  328 |       <Index,Mode,
      |       ~~~~~~~~~~~~
  329 |        LhsScalar, LhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  330 |        RhsScalar, RhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  331 |        RowMajor>
      |        ~~~~~~~~~
  332 |       ::run(actualLhs.rows(),actualLhs.cols(),
      |       ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  333 |             actualLhs.data(),actualLhs.outerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  334 |             actualRhsPtr,1,
      |             ~~~~~~~~~~~~~~~
  335 |             dest.data(),dest.innerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  336 |             actualAlpha);
      |             ~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:105:24: note: by argument 5 of type ‘const double *’ to ‘Eigen::internal::triangular_matrix_vector_product<long, 6, double, false, double, false, 1, 0>::run(long, long, double const*, long, domake[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
uble const*, long, double*, long, double const&) [clone .constprop.0]’ declared here
  105 | EIGEN_DONT_INLINE void triangular_matrix_vector_product<Index,Mode,LhsScalar,ConjLhs,RhsScalar,ConjRhs,RowMajor,Version>
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:337:
/usr/include/eigen3/Eigen/src/Core/products/SelfadjointMatrixVector.h: In function ‘Eigen::internal::selfadjoint_product_impl<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false>, 17, false, Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, -1, 1, 0, -1, 1> const> const, Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, 1, true>, -1, 1, false> const>, 0, true>::run<Eigen::Block<Eigen::Matrix<double, -1, 1, 0, -1, 1>, -1, 1, false> >(Eigen::Block<Eigen::Matrix<double, -1, 1, 0, -1, 1>, -1, 1, false>&, Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const&, Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, -1, 1, 0, -1, 1> const> const, Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, 1, true>, -1, 1, false> const> const&, double const&)void [clone .isra.0]’:
/usr/include/eigen3/Eigen/src/Core/products/SelfadjointMatrixVector.h:229:7: warning: ‘result_63’ may be used uninitialized [-Wmaybe-uninitialized]
  227 |     internal::selfadjoint_matrix_vector_product<Scalar, Index, (internal::traits<ActualLhsTypeCleaned>::Flags&RowMajorBit) ? RowMajor : ColMajor,
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  228 |                                                 int(LhsUpLo), bool(LhsBlasTraits::NeedToConjugate), bool(RhsBlasTraits::NeedToConjugate)>::run
      |                                                 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  229 |       (
      |       ^
  230 |         lhs.rows(),                             // size
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  231 |         &lhs.coeffRef(0,0),  lhs.outerStride(), // lhs info
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  232 |         actualRhsPtr,                           // rhs info
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  233 |         actualDestPtr,                          // result info
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  234 |         actualAlpha                             // scale factor
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  235 |       );
      |       ~
/usr/include/eigen3/Eigen/src/Core/products/SelfadjointMatrixVector.h:41:6: note: by argument 4 of type ‘const double *’ to ‘Eigen::internal::selfadjoint_matrix_vector_product<double, long, 0, 1, false, false, 0>::run(long, double const*, long, double const*, double*, double)’ declared here
   41 | void selfadjoint_matrix_vector_product<Scalar,Index,StorageOrder,UpLo,ConjugateLhs,ConjugateRhs,Version>::run(
      |      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/openbabel.dir/link.d -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared -Wl,-soname,libopenbabel.so.7 -o ../lib64/libopenbabel.so.7.0.0 CMakeFiles/openbabel.dir/alias.cpp.o CMakeFiles/openbabel.dir/atom.cpp.o CMakeFiles/openbabel.dir/base.cpp.o CMakeFiles/openbabel.dir/bitvec.cpp.o CMakeFiles/openbabel.dir/bond.cpp.o CMakeFiles/openbabel.dir/bondtyper.cpp.o CMakeFiles/openbabel.dir/builder.cpp.o CMakeFiles/openbabel.dir/canon.cpp.o CMakeFiles/openbabel.dir/chains.cpp.o CMakeFiles/openbabel.dir/chargemodel.cpp.o CMakeFiles/openbabel.dir/data.cpp.o CMakeFiles/openbabel.dir/data_utilities.cpp.o CMakeFiles/openbabel.dir/descriptor.cpp.o CMakeFiles/openbabel.dir/elements.cpp.o CMakeFiles/openbabel.dir/fingerprint.cpp.o CMakeFiles/openbabel.dir/forcefield.cpp.o CMakeFiles/openbabel.dir/format.cpp.o CMakeFiles/openbabel.dir/generic.cpp.o CMakeFiles/openbabel.dir/graphsym.cpp.o CMakeFiles/openbabel.dir/grid.cpp.o CMakeFiles/openbabel.dir/griddata.cpp.o CMakeFiles/openbabel.dir/isomorphism.cpp.o CMakeFiles/openbabel.dir/kekulize.cpp.o CMakeFiles/openbabel.dir/locale.cpp.o CMakeFiles/openbabel.dir/matrix.cpp.o CMakeFiles/openbabel.dir/mcdlutil.cpp.o CMakeFiles/openbabel.dir/molchrg.cpp.o CMakeFiles/openbabel.dir/mol.cpp.o CMakeFiles/openbabel.dir/obconversion.cpp.o CMakeFiles/openbabel.dir/oberror.cpp.o CMakeFiles/openbabel.dir/obfunctions.cpp.o CMakeFiles/openbabel.dir/obiter.cpp.o CMakeFiles/openbabel.dir/obutil.cpp.o CMakeFiles/openbabel.dir/op.cpp.o CMakeFiles/openbabel.dir/parsmart.cpp.o CMakeFiles/openbabel.dir/patty.cpp.o CMakeFiles/openbabel.dir/phmodel.cpp.o CMakeFiles/openbabel.dir/plugin.cpp.o CMakeFiles/openbabel.dir/pointgroup.cpp.o CMakeFiles/openbabel.dir/query.cpp.o CMakeFiles/openbabel.dir/rand.cpp.o CMakeFiles/openbabel.dir/reactionfacade.cpp.o CMakeFiles/openbabel.dir/residue.cpp.o CMakeFiles/openbabel.dir/ring.cpp.o CMakeFiles/openbabel.dir/rotamer.cpp.o CMakeFiles/openbabel.dir/rotor.cpp.o CMakeFiles/openbabel.dir/spectrophore.cpp.o CMakeFiles/openbabel.dir/tautomer.cpp.o CMakeFiles/openbabel.dir/tokenst.cpp.o CMakeFiles/openbabel.dir/transform.cpp.o CMakeFiles/openbabel.dir/typer.cpp.o CMakeFiles/openbabel.dir/obmolecformat.cpp.o CMakeFiles/openbabel.dir/conformersearch.cpp.o CMakeFiles/openbabel.dir/confsearch.cpp.o CMakeFiles/openbabel.dir/distgeom.cpp.o CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o CMakeFiles/openbabel.dir/depict/depict.cpp.o CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o CMakeFiles/openbabel.dir/math/spacegroup.cpp.o CMakeFiles/openbabel.dir/math/transform3d.cpp.o CMakeFiles/openbabel.dir/math/vector3.cpp.o CMakeFiles/openbabel.dir/math/align.cpp.o CMakeFiles/openbabel.dir/stereo/stereo.cpp.o CMakeFiles/openbabel.dir/stereo/tetranonplanar.cpp.o CMakeFiles/openbabel.dir/stereo/tetraplanar.cpp.o CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o CMakeFiles/openbabel.dir/stereo/perception.cpp.o CMakeFiles/openbabel.dir/stereo/facade.cpp.o CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o  -lm -ldl -lz
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/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp: In function ‘CreateAtom’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp:457:53: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=]
  457 |             AtomSpec *tmp = new AtomSpec[pat->aalloc];
      |                                                     ^
/usr/include/c++/15/new:140:26: note: in a call to allocation function ‘operator new []’ declared here
  140 | _GLIBCXX_NODISCARD void* operator new[](std::size_t)
      |                          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp:463:47: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=]
  463 |           pat->atom = new AtomSpec[pat->aalloc];
      |                                               ^
/usr/include/c++/15/new:140:26: note: in a call to allocation function ‘operator new []’ declared here
  140 | _GLIBCXX_NODISCARD void* operator new[](std::size_t)
      |                          ^
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In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cansmidescriptor.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cansmidescriptor.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 15%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addfilename.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addfilename.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addfilename.cpp:18:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 15%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cmpdfilter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cmpdfilter.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cmpdfilter.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 15%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o -MF CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o.d -o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger2.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/fingerprint.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger2.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger2.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 16%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addinindex.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addinindex.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addinindex.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 15%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eem.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/eem.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/eem.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/eem.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eem.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eem.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eem.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 17%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addpolarh.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addpolarh.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addpolarh.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 18%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/gasteiger.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/gasteiger.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 15%] Building CXX object src/formats/CMakeFiles/mol2format.dir/mol2format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmol2format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mol2format.dir/mol2format.cpp.o -MF CMakeFiles/mol2format.dir/mol2format.cpp.o.d -o CMakeFiles/mol2format.dir/mol2format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp: In member function ‘virtual bool OpenBabel::MOL2Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp:422:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  422 |               if(aid <= mol.NumAtoms())
      |                  ~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp: In member function ‘virtual int OpenBabel::MOL2Format::SkipObjects(int, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp:785:10: warning: unused variable ‘ch’ [-Wunused-variable]
  785 |     char ch = ifs.peek();
      |          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp: At global scope:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp:86:15: warning: ‘bool OpenBabel::IsThiocarboxylSulfur(OBAtom*)’ defined but not used [-Wunused-function]
   86 |   static bool IsThiocarboxylSulfur(OBAtom* queryatom)
      |               ^~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 17%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/groupcontrib.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/groupcontrib.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/groupcontrib.cpp:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/groupcontrib.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 18%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addnonpolarh.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addnonpolarh.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addnonpolarh.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 18%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/none.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/none.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/none.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/none.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/none.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/none.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 17%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o -MF CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o.d -o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/fingerprint.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp: In member function ‘virtual bool OpenBabel::PatternFP::GetFingerprint(OpenBabel::OBBase*, std::vector<unsigned int>&, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:109:13: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  109 |     while(n < _bitcount)
      |           ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp: In member function ‘virtual std::string OpenBabel::PatternFP::DescribeBits(std::vector<unsigned int>, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:258:34: warning: operation on ‘div’ may be undefined [-Wsequence-point]
  258 |         ngrp = (num + div -1)/div--; //rounds up
      |                               ~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:258:34: warning: operation on ‘div’ may be undefined [-Wsequence-point]
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 18%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/filters.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/filters.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 18%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/canonical.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/canonical.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 18%] Linking CXX shared module ../../lib64/mol2format.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mol2format.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mol2format.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mol2format.so CMakeFiles/mol2format.dir/mol2format.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 18%] Built target mol2format
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 18%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/mmff94.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/mmff94.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delpolarh.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delpolarh.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delpolarh.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 18%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/inchidescriptor.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/inchidescriptor.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/inchidescriptor.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/inchidescriptor.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:134:19: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
  134 |     : public std::binary_function<const std::string&, const std::string&, bool>
      |                   ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h: In member function ‘bool OpenBabel::InChIFormat::InchiLess::operator()(const std::string&, const std::string&) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |                                                    ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 18%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o -MF CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o.d -o CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/fingerecfp.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/fingerprint.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/fingerecfp.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/fingerecfp.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 18%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp: In member function ‘virtual bool OpenBabel::OpChangeCell::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp:88:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OpChangeCell::vc_val>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
   88 |   for(int i = 0; i < vcvs.size(); i++)
      |                  ~~^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp:119:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OpChangeCell::vc_val>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  119 |     for(int i = 0; i < vcvs.size(); i++)
      |                    ~~^~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delnonpolarh.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delnonpolarh.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delnonpolarh.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/smartsdescriptors.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/smartsdescriptors.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/smartsdescriptors.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen2D.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen2D.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen2D.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/fromfile.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/fromfile.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/fromfile.cpp: In member function ‘virtual bool OpenBabel::FromFileCharges::ComputeCharges(OpenBabel::OBMol&, const char*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/fromfile.cpp:102:36: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  102 |                 for ( int i = 1; i <= mol.NumAtoms(); i++)
      |                                  ~~^~~~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 15%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGaff::OBFFBondCalculationGaff(OpenBabel::OBFFBondCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:31:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGaff>::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGaff> >::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(std::allocator<OpenBabel::OBFFBondCalculationGaff>&, OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGaff, std::allocator<OpenBabel::OBFFBondCalculationGaff> >::push_back(OpenBabel::OBFFBondCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:572:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:535:29: note: ‘bondcalc’ declared here
  535 |     OBFFBondCalculationGaff bondcalc;
      |                             ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGaff::OBFFBondCalculationGaff(OpenBabel::OBFFBondCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:31:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGaff>::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGaff> >::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(std::allocator<OpenBabel::OBFFBondCalculationGaff>&, OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGaff, std::allocator<OpenBabel::OBFFBondCalculationGaff> >::push_back(OpenBabel::OBFFBondCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:572:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:535:29: note: ‘bondcalc’ declared here
  535 |     OBFFBondCalculationGaff bondcalc;
      |                             ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGaff::OBFFBondCalculationGaff(OpenBabel::OBFFBondCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:31:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGaff>::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGaff> >::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(std::allocator<OpenBabel::OBFFBondCalculationGaff>&, OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGaff, std::allocator<OpenBabel::OBFFBondCalculationGaff> >::push_back(OpenBabel::OBFFBondCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:587:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:535:29: note: ‘bondcalc’ declared here
  535 |     OBFFBondCalculationGaff bondcalc;
      |                             ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGaff::OBFFBondCalculationGaff(OpenBabel::OBFFBondCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:31:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGaff>::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGaff> >::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(std::allocator<OpenBabel::OBFFBondCalculationGaff>&, OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGaff, std::allocator<OpenBabel::OBFFBondCalculationGaff> >::push_back(OpenBabel::OBFFBondCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:587:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:535:29: note: ‘bondcalc’ declared here
  535 |     OBFFBondCalculationGaff bondcalc;
      |                             ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:637:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:637:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:637:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:653:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:653:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:653:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGaff::OBFFVDWCalculationGaff(OpenBabel::OBFFVDWCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:63:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGaff>::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(std::allocator<OpenBabel::OBFFVDWCalculationGaff>&, OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGaff, std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::push_back(OpenBabel::OBFFVDWCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1003:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:908:28: note: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ was declared here
  908 |     OBFFVDWCalculationGaff vdwcalc;
      |                            ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGaff::OBFFVDWCalculationGaff(OpenBabel::OBFFVDWCalculationGaff const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGaff>::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(std::allocator<OpenBabel::OBFFVDWCalculationGaff>&, OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGaff, std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::push_back(OpenBabel::OBFFVDWCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1003:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:63:9: warning: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGaff *)&vdwcalc + 104B]’ may be used uninitialized [-Wmaybe-uninitialized]
   63 |   class OBFFVDWCalculationGaff : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:908:28: note: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGaff *)&vdwcalc + 104B]’ was declared here
  908 |     OBFFVDWCalculationGaff vdwcalc;
      |                            ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGaff::OBFFVDWCalculationGaff(OpenBabel::OBFFVDWCalculationGaff const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGaff>::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(std::allocator<OpenBabel::OBFFVDWCalculationGaff>&, OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGaff, std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::push_back(OpenBabel::OBFFVDWCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1003:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:63:9: warning: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGaff *)&vdwcalc + 105B]’ may be used uninitialized [-Wmaybe-uninitialized]
   63 |   class OBFFVDWCalculationGaff : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:908:28: note: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGaff *)&vdwcalc + 105B]’ was declared here
  908 |     OBFFVDWCalculationGaff vdwcalc;
      |                            ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGaff::OBFFVDWCalculationGaff(OpenBabel::OBFFVDWCalculationGaff const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGaff>::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(std::allocator<OpenBabel::OBFFVDWCalculationGaff>&, OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGaff, std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::push_back(OpenBabel::OBFFVDWCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1003:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:63:9: warning: ‘MEM[(const struct OBFFVDWCalculationGaff &)&vdwcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   63 |   class OBFFVDWCalculationGaff : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:908:28: note: ‘MEM[(const struct OBFFVDWCalculationGaff &)&vdwcalc].rab’ was declared here
  908 |     OBFFVDWCalculationGaff vdwcalc;
      |                            ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationGaff::OBFFElectrostaticCalculationGaff(OpenBabel::OBFFElectrostaticCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:72:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationGaff>::construct<OpenBabel::OBFFElectrostaticCalculationGaff, OpenBabel::OBFFElectrostaticCalculationGaff const&>(OpenBabel::OBFFElectrostaticCalculationGaff*, OpenBabel::OBFFElectrostaticCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff> >::construct<OpenBabel::OBFFElectrostaticCalculationGaff, OpenBabel::OBFFElectrostaticCalculationGaff const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff>&, OpenBabel::OBFFElectrostaticCalculationGaff*, OpenBabel::OBFFElectrostaticCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationGaff, std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff> >::push_back(OpenBabel::OBFFElectrostaticCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1054:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1012:38: note: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ was declared here
 1012 |     OBFFElectrostaticCalculationGaff elecalc;
      |                                      ^~~~~~~
In member function ‘OpenBabel::OBFFElectrostaticCalculationGaff::OBFFElectrostaticCalculationGaff(OpenBabel::OBFFElectrostaticCalculationGaff const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationGaff>::construct<OpenBabel::OBFFElectrostaticCalculationGaff, OpenBabel::OBFFElectrostaticCalculationGaff const&>(OpenBabel::OBFFElectrostaticCalculationGaff*, OpenBabel::OBFFElectrostaticCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff> >::construct<OpenBabel::OBFFElectrostaticCalculationGaff, OpenBabel::OBFFElectrostaticCalculationGaff const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff>&, OpenBabel::OBFFElectrostaticCalculationGaff*, OpenBabel::OBFFElectrostaticCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationGaff, std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff> >::push_back(OpenBabel::OBFFElectrostaticCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1054:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:72:9: warning: ‘MEM[(const struct OBFFElectrostaticCalculationGaff &)&elecalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   72 |   class OBFFElectrostaticCalculationGaff : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1012:38: note: ‘MEM[(const struct OBFFElectrostaticCalculationGaff &)&elecalc].rab’ was declared here
 1012 |     OBFFElectrostaticCalculationGaff elecalc;
      |                                      ^~~~~~~
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In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/fillUC.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 19%] Linking CXX shared module ../lib64/plugin_descriptors.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_descriptors.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/plugin_descriptors.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/plugin_descriptors.so CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o  -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 22%] Built target plugin_descriptors
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/inchiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 15%] Building CXX object src/formats/CMakeFiles/mdlformat.dir/mdlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmdlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mdlformat.dir/mdlformat.cpp.o -MF CMakeFiles/mdlformat.dir/mdlformat.cpp.o.d -o CMakeFiles/mdlformat.dir/mdlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h: In function ‘unsigned int MDLValence(unsigned int, int, unsigned int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:51:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   51 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:51:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   51 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:64:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   64 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:64:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   64 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:77:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   77 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:77:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   77 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:90:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   90 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:90:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   90 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:103:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  103 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:103:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  103 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:116:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  116 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:116:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  116 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:119:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  119 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:119:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  119 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:121:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  121 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:121:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  121 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:134:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  134 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:134:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  134 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:137:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  137 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:137:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  137 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:139:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  139 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:139:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  139 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:152:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  152 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:152:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  152 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:155:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  155 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:155:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  155 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:157:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  157 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:157:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  157 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:170:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  170 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:170:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  170 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:173:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  173 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:173:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  173 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:175:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  175 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:175:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  175 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:188:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  188 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:188:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  188 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:191:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  191 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:191:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  191 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:193:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  193 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:193:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  193 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:206:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  206 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:206:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  206 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:209:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  209 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:209:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  209 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:211:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  211 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:211:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  211 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:223:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  223 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:223:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  223 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:226:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  226 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:226:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  226 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:228:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  228 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:228:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  228 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:240:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  240 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:240:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  240 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:243:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  243 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:243:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  243 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:245:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  245 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:245:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  245 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:257:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  257 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:257:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  257 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:260:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  260 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:260:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  260 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:262:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  262 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:262:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  262 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:274:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  274 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:274:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  274 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:277:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  277 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:277:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  277 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:279:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  279 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:279:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  279 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:291:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  291 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:291:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  291 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:294:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  294 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:294:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  294 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:296:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  296 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:296:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  296 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:298:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  298 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:298:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  298 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:310:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  310 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:310:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  310 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:313:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  313 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:313:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  313 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:315:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  315 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:315:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  315 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:317:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  317 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:317:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  317 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:329:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  329 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:329:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  329 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:332:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  332 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:332:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  332 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:334:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  334 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:334:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  334 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:336:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  336 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:336:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  336 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:348:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  348 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:348:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  348 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:351:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  351 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:351:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  351 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:353:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  353 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:353:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  353 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:355:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  355 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:355:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  355 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:367:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  367 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:367:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  367 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:370:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  370 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:370:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  370 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:372:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  372 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:372:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  372 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:374:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  374 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:374:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  374 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:385:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  385 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:385:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  385 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:388:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  388 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:388:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  388 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:390:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  390 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:390:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  390 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:392:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  392 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:392:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  392 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:394:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  394 |               if (val <= 3) return 3;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:394:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  394 |               if (val <= 3) return 3;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h: In function ‘unsigned int HYDValence(unsigned int, int, unsigned int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:416:11: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  416 |   if (val > impval) {
      |       ~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp: In member function ‘bool OpenBabel::MDLFormat::ReadAtomBlock(std::istream&, OpenBabel::OBMol&, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1488:10: warning: unused variable ‘chiralWatch’ [-Wunused-variable]
 1488 |     bool chiralWatch=false;
      |          ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp: In member function ‘OpenBabel::MDLFormat::GetTimeDate[abi:cxx11]()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1709:27: warning: ‘%02d’ directive output may be truncated writing between 2 and 11 bytes into a region of size between 0 and 9 [-Wformat-truncation=]
 1709 |     snprintf(td, 11, "%02d%02d%02d%02d%02d", ts->tm_mon+1, ts->tm_mday,
      |                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1709:22: note: directive argument in the range [-2147483648, 2147483547]
 1709 |     snprintf(td, 11, "%02d%02d%02d%02d%02d", ts->tm_mon+1, ts->tm_mday,
      |                      ^~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/iomanip:47,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:27:
In function ‘*__snprintfieee128’,
    inlined from ‘OpenBabel::MDLFormat::GetTimeDate[abi:cxx11]()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1709:13:
/usr/include/bits/stdio2.h:68:35: note: ‘*__snprintf_chkieee128’ output between 11 and 56 bytes into a destination of size 11
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 15%] Building CXX object src/formats/CMakeFiles/smilesformat.dir/smilesformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dsmilesformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/smilesformat.dir/smilesformat.cpp.o -MF CMakeFiles/smilesformat.dir/smilesformat.cpp.o.d -o CMakeFiles/smilesformat.dir/smilesformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In constructor ‘OpenBabel::OBSmilesParser::OBSmilesParser(bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:291:10: warning: ‘OpenBabel::OBSmilesParser::_preserve_aromaticity’ will be initialized after [-Wreorder]
  291 |     bool _preserve_aromaticity;
      |          ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:289:9: warning:   ‘int OpenBabel::OBSmilesParser::_rxnrole’ [-Wreorder]
  289 |     int _rxnrole;
      |         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:318:5: warning:   when initialized here [-Wreorder]
  318 |     OBSmilesParser(bool preserve_aromaticity=false): _preserve_aromaticity(preserve_aromaticity), _rxnrole(1) { }
      |     ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘bool OpenBabel::OBSmilesParser::ParseSmiles(OpenBabel::OBMol&, const std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:655:15: warning: variable ‘atom’ set but not used [-Wunused-but-set-variable]
  655 |       OBAtom* atom;
      |               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘int OpenBabel::OBSmilesParser::NumConnections(OpenBabel::OBAtom*, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2200:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2200 |     if (idx-1 < _hcount.size() && _hcount[idx-1] > 0)
      |         ~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘bool OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*>&, std::vector<unsigned int>&, std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2685:10: warning: variable ‘symbol’ set but not used [-Wunused-but-set-variable]
 2685 |     char symbol[10];
      |          ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2689:10: warning: unused variable ‘normalValence’ [-Wunused-variable]
 2689 |     bool normalValence = true;
      |          ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2690:10: warning: unused variable ‘writeExplicitHydrogen’ [-Wunused-variable]
 2690 |     bool writeExplicitHydrogen = false;
      |          ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘bool OpenBabel::OBMol2Cansmi::BuildCanonTree(OpenBabel::OBMol&, OpenBabel::OBBitVec&, std::vector<unsigned int>&, OpenBabel::OBCanSmiNode*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3139:22: warning: unused variable ‘bond_order’ [-Wunused-variable]
 3139 |         unsigned int bond_order = bond->GetBondOrder();
      |                      ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3134:20: warning: unused variable ‘nbr_bond_order’ [-Wunused-variable]
 3134 |       unsigned int nbr_bond_order = nbr_bond->GetBondOrder();
      |                    ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘std::vector<OpenBabel::OBBondClosureInfo> OpenBabel::OBMol2Cansmi::GetCanonClosureDigits(OpenBabel::OBAtom*, OpenBabel::OBBitVec&, std::vector<unsigned int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3286:11: warning: unused variable ‘bo’ [-Wunused-variable]
 3286 |       int bo = (bond1->IsAromatic())? 1 : bond1->GetBondOrder();  // CJ: why was this line added?  bo is never used?
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘void OpenBabel::OBMol2Cansmi::CreateFragCansmiString(OpenBabel::OBMol&, OpenBabel::OBBitVec&, std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3899:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3899 |         for (int i=0; i<atom_order.size(); ++i)
      |                       ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3905:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<unsigned int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3905 |         for (int i=0; i<canonical_order.size(); ++i)
      |                       ~^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*, std::allocator<OpenBabel::OBAtom*> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2857:35: warning: ‘*__snprintf_chkieee128’ output may be truncated before the last format character [-Wformat-truncation=]
 2857 |           snprintf(tcount, 10, "%d", i);
      |                                   ^
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘*__snprintfieee128’,
    inlined from ‘OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*, std::allocator<OpenBabel::OBAtom*> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2857:19:
/usr/include/bits/stdio2.h:68:35: note: ‘*__snprintf_chkieee128’ output between 2 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*, std::allocator<OpenBabel::OBAtom*> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2865:35: warning: ‘*__snprintf_chkieee128’ output may be truncated before the last format character [-Wformat-truncation=]
 2865 |           snprintf(tcount, 10, "%d", hcount);
      |                                   ^
In function ‘*__snprintfieee128’,
    inlined from ‘OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*, std::allocator<OpenBabel::OBAtom*> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2865:19:
/usr/include/bits/stdio2.h:68:35: note: ‘*__snprintf_chkieee128’ output between 2 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘OpenBabel::OBMol2Cansmi::ToCansmilesString(OpenBabel::OBCanSmiNode*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&, OpenBabel::OBBitVec&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::vector<unsigned int, std::allocator<unsigned int> >&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3531:32: warning: ‘%d’ directive output may be truncated writing between 1 and 11 bytes into a region of size 8 [-Wformat-truncation=]
 3531 |           snprintf(digits, 8, "%d", bci->ringdigit);
      |                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3531:31: note: directive argument in the range [-2147483648, 99]
 3531 |           snprintf(digits, 8, "%d", bci->ringdigit);
      |                               ^~~~
In function ‘*__snprintfieee128’,
    inlined from ‘OpenBabel::OBMol2Cansmi::ToCansmilesString(OpenBabel::OBCanSmiNode*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&, OpenBabel::OBBitVec&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::vector<unsigned int, std::allocator<unsigned int> >&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3531:19:
/usr/include/bits/stdio2.h:68:35: note: ‘*__snprintf_chkieee128’ output between 2 and 12 bytes into a destination of size 8
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp:29:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp: In member function ‘virtual bool OpenBabel::OpMinimize::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp:265:10: warning: unused variable ‘done’ [-Wunused-variable]
  265 |     bool done = true;
      |          ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen3d.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen3d.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/largest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/largest.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/largest.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/largest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/largest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/largest.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 21%] Building CXX object src/formats/CMakeFiles/pdbformat.dir/pdbformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpdbformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pdbformat.dir/pdbformat.cpp.o -MF CMakeFiles/pdbformat.dir/pdbformat.cpp.o.d -o CMakeFiles/pdbformat.dir/pdbformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp: In member function ‘virtual bool OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:615:26: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘const int’ [-Wsign-compare]
  615 |               if (origin == pUC->GetSpaceGroup()->HEXAGONAL_ORIGIN)
      |                   ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:684:58: warning: ‘*__snprintf_chkieee128’ output may be truncated before the last format character [-Wformat-truncation=]
  684 |             snprintf(type_name, sizeof(type_name), " %-3s", tmp);
      |                                                          ^
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘*__snprintfieee128’,
    inlined from ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:684:21:
/usr/include/bits/stdio2.h:68:35: note: ‘*__snprintf_chkieee128’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp: In member function ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:702:70: warning: ‘*__snprintf_chkieee128’ output may be truncated before the last format character [-Wformat-truncation=]
  702 |                     snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
      |                                                                      ^
In function ‘*__snprintfieee128’,
    inlined from ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:702:29:
/usr/include/bits/stdio2.h:68:35: note: ‘*__snprintf_chkieee128’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp: In member function ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:739:35: warning: ‘%+d’ directive output may be truncated writing between 2 and 6 bytes into a region of size 3 [-Wformat-truncation=]
  739 |             snprintf(scharge, 3, "%+d", charge);
      |                                   ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:739:34: note: directive argument in the range [-32768, 32767]
  739 |             snprintf(scharge, 3, "%+d", charge);
      |                                  ^~~~~
In function ‘*__snprintfieee128’,
    inlined from ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:739:21:
/usr/include/bits/stdio2.h:68:35: note: ‘*__snprintf_chkieee128’ output between 3 and 7 bytes into a destination of size 3
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp: In member function ‘OpenBabel::PDBFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32761 [-Wstringop-truncation]
  303 |     strncpy(integerBuffer, buffer+columnAsSpecifiedInPDB-1, 5);
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32756 [-Wstringop-truncation]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32751 [-Wstringop-truncation]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32746 [-Wstringop-truncation]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32741 [-Wstringop-truncation]
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 22%] Linking CXX shared module ../../lib64/mdlformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdlformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mdlformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mdlformat.so CMakeFiles/mdlformat.dir/mdlformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 23%] Built target mdlformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/asciiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 22%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/inchiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/inchiformat.dir/inchiformat.cpp.o -MF CMakeFiles/inchiformat.dir/inchiformat.cpp.o.d -o CMakeFiles/inchiformat.dir/inchiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:134:19: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
  134 |     : public std::binary_function<const std::string&, const std::string&, bool>
      |                   ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h: In member function ‘bool OpenBabel::InChIFormat::InchiLess::operator()(const std::string&, const std::string&) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp: In member function ‘virtual bool OpenBabel::InChIFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:193:52: warning: comparison of integer expressions of different signedness: ‘long unsigned int’ and ‘AT_NUM’ {aka ‘short int’} [-Wsign-compare]
  193 |         if ( !(a->GetId() == ct->end || a->GetId() == stereo.neighbor[0] ) ) {
      |                                         ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:199:54: warning: comparison of integer expressions of different signedness: ‘long unsigned int’ and ‘AT_NUM’ {aka ‘short int’} [-Wsign-compare]
  199 |         if ( !(b->GetId() == ct->begin || b->GetId() == stereo.neighbor[3] ) ) {
      |                                           ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 25%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/getinchi.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/inchiformat.dir/getinchi.cpp.o -MF CMakeFiles/inchiformat.dir/getinchi.cpp.o.d -o CMakeFiles/inchiformat.dir/getinchi.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/getinchi.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 20%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGhemical::OBFFBondCalculationGhemical(OpenBabel::OBFFBondCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:29:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGhemical>::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(std::allocator<OpenBabel::OBFFBondCalculationGhemical>&, OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGhemical, std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::push_back(OpenBabel::OBFFBondCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:477:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:435:33: note: ‘bondcalc’ declared here
  435 |     OBFFBondCalculationGhemical bondcalc;
      |                                 ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGhemical::OBFFBondCalculationGhemical(OpenBabel::OBFFBondCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:29:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGhemical>::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(std::allocator<OpenBabel::OBFFBondCalculationGhemical>&, OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGhemical, std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::push_back(OpenBabel::OBFFBondCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:477:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:435:33: note: ‘bondcalc’ declared here
  435 |     OBFFBondCalculationGhemical bondcalc;
      |                                 ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGhemical::OBFFBondCalculationGhemical(OpenBabel::OBFFBondCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:29:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGhemical>::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(std::allocator<OpenBabel::OBFFBondCalculationGhemical>&, OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGhemical, std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::push_back(OpenBabel::OBFFBondCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:492:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:435:33: note: ‘bondcalc’ declared here
  435 |     OBFFBondCalculationGhemical bondcalc;
      |                                 ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGhemical::OBFFBondCalculationGhemical(OpenBabel::OBFFBondCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:29:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGhemical>::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(std::allocator<OpenBabel::OBFFBondCalculationGhemical>&, OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGhemical, std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::push_back(OpenBabel::OBFFBondCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:492:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:435:33: note: ‘bondcalc’ declared here
  435 |     OBFFBondCalculationGhemical bondcalc;
      |                                 ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:542:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:542:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:542:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:558:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:558:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:558:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ was declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘vdwcalc’ declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘vdwcalc’ declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9: warning: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGhemical *)&vdwcalc + 104B]’ may be used uninitialized [-Wmaybe-uninitialized]
   56 |   class OBFFVDWCalculationGhemical : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGhemical *)&vdwcalc + 104B]’ was declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9: warning: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGhemical *)&vdwcalc + 105B]’ may be used uninitialized [-Wmaybe-uninitialized]
   56 |   class OBFFVDWCalculationGhemical : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGhemical *)&vdwcalc + 105B]’ was declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9: warning: ‘MEM[(const struct OBFFVDWCalculationGhemical &)&vdwcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   56 |   class OBFFVDWCalculationGhemical : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘MEM[(const struct OBFFVDWCalculationGhemical &)&vdwcalc].rab’ was declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationGhemical::OBFFElectrostaticCalculationGhemical(OpenBabel::OBFFElectrostaticCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:71:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationGhemical>::construct<OpenBabel::OBFFElectrostaticCalculationGhemical, OpenBabel::OBFFElectrostaticCalculationGhemical const&>(OpenBabel::OBFFElectrostaticCalculationGhemical*, OpenBabel::OBFFElectrostaticCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical> >::construct<OpenBabel::OBFFElectrostaticCalculationGhemical, OpenBabel::OBFFElectrostaticCalculationGhemical const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical>&, OpenBabel::OBFFElectrostaticCalculationGhemical*, OpenBabel::OBFFElectrostaticCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationGhemical, std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical> >::push_back(OpenBabel::OBFFElectrostaticCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:829:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:787:42: note: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ was declared here
  787 |     OBFFElectrostaticCalculationGhemical elecalc;
      |                                          ^~~~~~~
In member function ‘OpenBabel::OBFFElectrostaticCalculationGhemical::OBFFElectrostaticCalculationGhemical(OpenBabel::OBFFElectrostaticCalculationGhemical const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationGhemical>::construct<OpenBabel::OBFFElectrostaticCalculationGhemical, OpenBabel::OBFFElectrostaticCalculationGhemical const&>(OpenBabel::OBFFElectrostaticCalculationGhemical*, OpenBabel::OBFFElectrostaticCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical> >::construct<OpenBabel::OBFFElectrostaticCalculationGhemical, OpenBabel::OBFFElectrostaticCalculationGhemical const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical>&, OpenBabel::OBFFElectrostaticCalculationGhemical*, OpenBabel::OBFFElectrostaticCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationGhemical, std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical> >::push_back(OpenBabel::OBFFElectrostaticCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:829:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:71:9: warning: ‘MEM[(const struct OBFFElectrostaticCalculationGhemical &)&elecalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   71 |   class OBFFElectrostaticCalculationGhemical : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:787:42: note: ‘MEM[(const struct OBFFElectrostaticCalculationGhemical &)&elecalc].rab’ was declared here
  787 |     OBFFElectrostaticCalculationGhemical elecalc;
      |                                          ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 24%] Building CXX object src/formats/CMakeFiles/asciiformat.dir/asciiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dasciiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/asciiformat.dir/asciiformat.cpp.o -MF CMakeFiles/asciiformat.dir/asciiformat.cpp.o.d -o CMakeFiles/asciiformat.dir/asciiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/asciiformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/asciiformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 23%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/loader.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/loader.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/loader.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/loader.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/loader.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/loader.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/loader.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 23%] Linking CXX shared module ../../lib64/pdbformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdbformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pdbformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pdbformat.so CMakeFiles/pdbformat.dir/pdbformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 25%] Built target pdbformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/copyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 25%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o -MF CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o.d -o CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/unique.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/unique.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/unique.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:134:19: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
  134 |     : public std::binary_function<const std::string&, const std::string&, bool>
      |                   ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h: In member function ‘bool OpenBabel::InChIFormat::InchiLess::operator()(const std::string&, const std::string&) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |                                                    ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 25%] Building CXX object src/formats/CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dasciiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o -MF CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o.d -o CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/asciipainter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/asciipainter.cpp: In member function ‘virtual void OpenBabel::ASCIIPainter::DrawText(double, double, const std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/asciipainter.cpp:118:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  118 |     for (int i=0; i<text.size(); ++i) {
      |                   ~^~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 25%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/neutralize.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/neutralize.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 22%] Linking CXX shared module ../../lib64/smilesformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/smilesformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/smilesformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/smilesformat.so CMakeFiles/smilesformat.dir/smilesformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 26%] Built target smilesformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/MNAformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 26%] Building CXX object src/formats/CMakeFiles/copyformat.dir/copyformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcopyformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/copyformat.dir/copyformat.cpp.o -MF CMakeFiles/copyformat.dir/copyformat.cpp.o.d -o CMakeFiles/copyformat.dir/copyformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/copyformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/copyformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 26%] Linking CXX shared module ../../lib64/copyformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/copyformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/copyformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/copyformat.so CMakeFiles/copyformat.dir/copyformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 26%] Built target copyformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/molreport.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 26%] Linking CXX shared module ../../lib64/asciiformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/asciiformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/asciiformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/asciiformat.so CMakeFiles/asciiformat.dir/asciiformat.cpp.o CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 26%] Built target asciiformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/nulformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 26%] Building CXX object src/formats/CMakeFiles/molreport.dir/molreport.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmolreport_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/molreport.dir/molreport.cpp.o -MF CMakeFiles/molreport.dir/molreport.cpp.o.d -o CMakeFiles/molreport.dir/molreport.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/molreport.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/molreport.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 27%] Building CXX object src/formats/CMakeFiles/nulformat.dir/nulformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dnulformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/nulformat.dir/nulformat.cpp.o -MF CMakeFiles/nulformat.dir/nulformat.cpp.o.d -o CMakeFiles/nulformat.dir/nulformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nulformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nulformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 26%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp: In member function ‘virtual bool OpenBabel::OpSplit::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp:92:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   92 |   if(!pConv)
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp:95:5: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   95 |     if(pConv->IsFirstInput())
      |     ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 27%] Linking CXX shared module ../../lib64/nulformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/nulformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/nulformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/nulformat.so CMakeFiles/nulformat.dir/nulformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 28%] Built target nulformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/painterformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 27%] Linking CXX shared module ../../lib64/molreport.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/molreport.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/molreport.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/molreport.so CMakeFiles/molreport.dir/molreport.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 29%] Built target molreport
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 26%] Building CXX object src/formats/CMakeFiles/MNAformat.dir/MNAformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMNAformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/MNAformat.dir/MNAformat.cpp.o -MF CMakeFiles/MNAformat.dir/MNAformat.cpp.o.d -o CMakeFiles/MNAformat.dir/MNAformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MNAformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MNAformat.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 29%] Building CXX object src/formats/CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpainterformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o -MF CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o.d -o CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/commandpainter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/povrayformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 26%] Linking CXX shared module ../../lib64/inchiformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/inchiformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/inchiformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/inchiformat.so CMakeFiles/inchiformat.dir/inchiformat.cpp.o CMakeFiles/inchiformat.dir/getinchi.cpp.o CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 30%] Built target inchiformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 29%] Building CXX object src/formats/CMakeFiles/painterformat.dir/painterformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpainterformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/painterformat.dir/painterformat.cpp.o -MF CMakeFiles/painterformat.dir/painterformat.cpp.o.d -o CMakeFiles/painterformat.dir/painterformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/painterformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/painterformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/painterformat.cpp: In member function ‘virtual bool OpenBabel::PainterFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/painterformat.cpp:114:12: warning: unused variable ‘ofs’ [-Wunused-variable]
  114 |   ostream& ofs = *pConv->GetOutStream();
      |            ^~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 29%] Linking CXX shared module ../../lib64/MNAformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/MNAformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/MNAformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/MNAformat.so CMakeFiles/MNAformat.dir/MNAformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 30%] Built target MNAformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/reportformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 30%] Linking CXX shared module ../../lib64/painterformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/painterformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/painterformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/painterformat.so CMakeFiles/painterformat.dir/painterformat.cpp.o CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 30%] Built target painterformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 28%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/optransform.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/optransform.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/optransform.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/parsmart.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/phmodel.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/optransform.h:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/svgformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eqeq.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eqeq.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eqeq.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 30%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/partialcharges.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/partialcharges.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 30%] Building CXX object src/formats/CMakeFiles/reportformat.dir/reportformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dreportformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/reportformat.dir/reportformat.cpp.o -MF CMakeFiles/reportformat.dir/reportformat.cpp.o.d -o CMakeFiles/reportformat.dir/reportformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/reportformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/reportformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 30%] Building CXX object src/formats/CMakeFiles/povrayformat.dir/povrayformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpovrayformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/povrayformat.dir/povrayformat.cpp.o -MF CMakeFiles/povrayformat.dir/povrayformat.cpp.o.d -o CMakeFiles/povrayformat.dir/povrayformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp: In member function ‘void OpenBabel::PovrayFormat::OutputHeader(std::ostream&, OpenBabel::OBMol&, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:173:12: warning: variable ‘time_res’ set but not used [-Wunused-but-set-variable]
  173 |     size_t time_res;                             /* Result of strftime                */
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp: In function ‘void OpenBabel::OutputCSTBonds(std::ostream&, OBMol&, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:526:78: warning: ‘std::binder1st<_Operation> std::bind1st(const _Operation&, const _Tp&) [with _Operation = equal_to<char>; _Tp = char]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  526 |         bond_type.erase(remove_if(bond_type.begin(), bond_type.end(), bind1st(equal_to<char>(), '.')), bond_type.end());
      |                                                                       ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441:
/usr/include/c++/15/backward/binders.h:136:5: note: declared here
  136 |     bind1st(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:587:78: warning: ‘std::binder1st<_Operation> std::bind1st(const _Operation&, const _Tp&) [with _Operation = equal_to<char>; _Tp = char]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  587 |         bond_type.erase(remove_if(bond_type.begin(), bond_type.end(), bind1st(equal_to<char>(), '.')), bond_type.end());
      |                                                                       ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:136:5: note: declared here
  136 |     bind1st(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp: In member function ‘virtual bool OpenBabel::PovrayFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:807:17: warning: unused variable ‘title’ [-Wunused-variable]
  807 |     const char* title = pmol->GetTitle();
      |                 ^~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 30%] Linking CXX shared module ../../lib64/reportformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/reportformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/reportformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/reportformat.so CMakeFiles/reportformat.dir/reportformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 30%] Built target reportformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/textformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 30%] Building CXX object src/formats/CMakeFiles/svgformat.dir/svgformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dsvgformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/svgformat.dir/svgformat.cpp.o -MF CMakeFiles/svgformat.dir/svgformat.cpp.o.d -o CMakeFiles/svgformat.dir/svgformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp: In member function ‘virtual bool OpenBabel::SVGFormat::WriteChemObject(OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp:226:42: warning: comparison of integer expressions of different signedness: ‘std::vector<OpenBabel::OBBase*>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  226 |   bool nomore = _nmax && (_objects.size()==_nmax);
      |                           ~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp:248:18: warning: unused variable ‘n’ [-Wunused-variable]
  248 |     unsigned int n=0;
      |                  ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp: In member function ‘virtual bool OpenBabel::SVGFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp:273:8: warning: unused variable ‘ret’ [-Wunused-variable]
  273 |   bool ret = WriteSVG(pConv,_objects);
      |        ^~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 30%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/readconformers.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/readconformers.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 30%] Building CXX object src/formats/CMakeFiles/textformat.dir/textformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dtextformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/textformat.dir/textformat.cpp.o -MF CMakeFiles/textformat.dir/textformat.cpp.o.d -o CMakeFiles/textformat.dir/textformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/textformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/textformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 30%] Linking CXX shared module ../../lib64/povrayformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/povrayformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/povrayformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/povrayformat.so CMakeFiles/povrayformat.dir/povrayformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 31%] Built target povrayformat
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/usr/bin/make  -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/titleformat.dir/DependInfo.cmake "--color="
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/usr/bin/make  -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/build
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/textformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/textformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/textformat.so CMakeFiles/textformat.dir/textformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 32%] Built target textformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/confabreport.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 30%] Linking CXX shared module ../../lib64/svgformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/svgformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/svgformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/svgformat.so CMakeFiles/svgformat.dir/svgformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 32%] Built target svgformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/pngformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 32%] Building CXX object src/formats/CMakeFiles/titleformat.dir/titleformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dtitleformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/titleformat.dir/titleformat.cpp.o -MF CMakeFiles/titleformat.dir/titleformat.cpp.o.d -o CMakeFiles/titleformat.dir/titleformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/titleformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/titleformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 32%] Linking CXX shared module ../../lib64/titleformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/titleformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/titleformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/titleformat.so CMakeFiles/titleformat.dir/titleformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 32%] Built target titleformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 32%] Building CXX object src/formats/CMakeFiles/pngformat.dir/pngformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpngformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pngformat.dir/pngformat.cpp.o -MF CMakeFiles/pngformat.dir/pngformat.cpp.o.d -o CMakeFiles/pngformat.dir/pngformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pngformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pngformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pngformat.cpp:13:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 25%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2798:32: warning: variable ‘bondtype1’ set but not used [-Wunused-but-set-variable]
 2798 |     int angletype, strbndtype, bondtype1, bondtype2;
      |                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2798:43: warning: variable ‘bondtype2’ set but not used [-Wunused-but-set-variable]
 2798 |     int angletype, strbndtype, bondtype1, bondtype2;
      |                                           ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Bond() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:289:40:   required from here
  289 |         return gradients ? E_Bond<true>() : E_Bond<false>();
      |                            ~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:148:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  148 |     for (int i = 0; i < _bondcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Bond() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:289:58:   required from here
  289 |         return gradients ? E_Bond<true>() : E_Bond<false>();
      |                                             ~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:148:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  148 |     for (int i = 0; i < _bondcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Angle() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:295:41:   required from here
  295 |         return gradients ? E_Angle<true>() : E_Angle<false>();
      |                            ~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:263:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  263 |     for (int i = 0; i < _anglecalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Angle() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:295:60:   required from here
  295 |         return gradients ? E_Angle<true>() : E_Angle<false>();
      |                                              ~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:263:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  263 |     for (int i = 0; i < _anglecalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_StrBnd() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:301:42:   required from here
  301 |         return gradients ? E_StrBnd<true>() : E_StrBnd<false>();
      |                            ~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:376:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  376 |     for (int i = 0; i < _strbndcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_StrBnd() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:301:62:   required from here
  301 |         return gradients ? E_StrBnd<true>() : E_StrBnd<false>();
      |                                               ~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:376:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  376 |     for (int i = 0; i < _strbndcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Torsion() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:307:43:   required from here
  307 |         return gradients ? E_Torsion<true>() : E_Torsion<false>();
      |                            ~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:512:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFTorsionCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  512 |     for (int i = 0; i < _torsioncalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Torsion() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:307:64:   required from here
  307 |         return gradients ? E_Torsion<true>() : E_Torsion<false>();
      |                                                ~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:512:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFTorsionCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  512 |     for (int i = 0; i < _torsioncalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_OOP() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:313:39:   required from here
  313 |         return gradients ? E_OOP<true>() : E_OOP<false>();
      |                            ~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:610:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFOOPCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  610 |     for (int i = 0; i < _oopcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_OOP() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:313:56:   required from here
  313 |         return gradients ? E_OOP<true>() : E_OOP<false>();
      |                                            ~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:610:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFOOPCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  610 |     for (int i = 0; i < _oopcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_VDW() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:319:39:   required from here
  319 |         return gradients ? E_VDW<true>() : E_VDW<false>();
      |                            ~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:707:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFVDWCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  707 |     for (int i = 0; i < _vdwcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_VDW() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:319:56:   required from here
  319 |         return gradients ? E_VDW<true>() : E_VDW<false>();
      |                                            ~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:707:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFVDWCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  707 |     for (int i = 0; i < _vdwcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Electrostatic() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:325:49:   required from here
  325 |         return gradients ? E_Electrostatic<true>() : E_Electrostatic<false>();
      |                            ~~~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:793:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFElectrostaticCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  793 |     for (int i = 0; i < _electrostaticcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Electrostatic() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:325:76:   required from here
  325 |         return gradients ? E_Electrostatic<true>() : E_Electrostatic<false>();
      |                                                      ~~~~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:793:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFElectrostaticCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  793 |     for (int i = 0; i < _electrostaticcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::PerceiveAromatic()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:1451:30: warning: ‘index’ may be used uninitialized [-Wmaybe-uninitialized]
 1451 |       ringbond = _mol.GetBond(first_rj, index);
      |                  ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:1388:12: note: ‘index’ was declared here
 1388 |     int n, index, ringsize, first_rj, prev_rj, pi_electrons, c60;
      |            ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:1451:30: warning: ‘first_rj’ may be used uninitialized [-Wmaybe-uninitialized]
 1451 |       ringbond = _mol.GetBond(first_rj, index);
      |                  ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:1388:29: note: ‘first_rj’ was declared here
 1388 |     int n, index, ringsize, first_rj, prev_rj, pi_electrons, c60;
      |                             ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:44:
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationMMFF94::OBFFBondCalculationMMFF94(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationMMFF94>::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFBondCalculationMMFF94>&, OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94, std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::push_back(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2765:38:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2707:31: note: ‘bondcalc’ declared here
 2707 |     OBFFBondCalculationMMFF94 bondcalc;
      |                               ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationMMFF94::OBFFBondCalculationMMFF94(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationMMFF94>::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFBondCalculationMMFF94>&, OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94, std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::push_back(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2765:38:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2707:31: note: ‘bondcalc’ declared here
 2707 |     OBFFBondCalculationMMFF94 bondcalc;
      |                               ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationMMFF94::OBFFBondCalculationMMFF94(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationMMFF94>::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFBondCalculationMMFF94>&, OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94, std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::push_back(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2775:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2707:31: note: ‘bondcalc’ declared here
 2707 |     OBFFBondCalculationMMFF94 bondcalc;
      |                               ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationMMFF94::OBFFBondCalculationMMFF94(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationMMFF94>::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFBondCalculationMMFF94>&, OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94, std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::push_back(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2775:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2707:31: note: ‘bondcalc’ declared here
 2707 |     OBFFBondCalculationMMFF94 bondcalc;
      |                               ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].energy’ was declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationMMFF94 &)&anglecalc].theta’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘MEM[(const struct OBFFAngleCalculationMMFF94 &)&anglecalc].theta’ was declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationMMFF94 &)&anglecalc].delta’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘MEM[(const struct OBFFAngleCalculationMMFF94 &)&anglecalc].delta’ was declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::_M_realloc_append<OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::_M_realloc_append<OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::_M_realloc_append<OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&strbndcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFCalculation2 &)&strbndcalc].energy’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&strbndcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&strbndcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&strbndcalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_theta’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_theta’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_rab’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_rab’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_rbc’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_rbc’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].theta’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].theta’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].rab’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].rbc’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].rbc’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_ab_a’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_ab_b’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_bc_b’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_bc_c’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_abc_a’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationMMFF94::OBFFVDWCalculationMMFF94(OpenBabel::OBFFVDWCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:78:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationMMFF94>::construct<OpenBabel::OBFFVDWCalculationMMFF94, OpenBabel::OBFFVDWCalculationMMFF94 const&>(OpenBabel::OBFFVDWCalculationMMFF94*, OpenBabel::OBFFVDWCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationMMFF94> >::construct<OpenBabel::OBFFVDWCalculationMMFF94, OpenBabel::OBFFVDWCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFVDWCalculationMMFF94>&, OpenBabel::OBFFVDWCalculationMMFF94*, OpenBabel::OBFFVDWCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationMMFF94, std::allocator<OpenBabel::OBFFVDWCalculationMMFF94> >::push_back(OpenBabel::OBFFVDWCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3609:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3485:30: note: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ was declared here
 3485 |     OBFFVDWCalculationMMFF94 vdwcalc;
      |                              ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationMMFF94::OBFFVDWCalculationMMFF94(OpenBabel::OBFFVDWCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationMMFF94>::construct<OpenBabel::OBFFVDWCalculationMMFF94, OpenBabel::OBFFVDWCalculationMMFF94 const&>(OpenBabel::OBFFVDWCalculationMMFF94*, OpenBabel::OBFFVDWCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationMMFF94> >::construct<OpenBabel::OBFFVDWCalculationMMFF94, OpenBabel::OBFFVDWCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFVDWCalculationMMFF94>&, OpenBabel::OBFFVDWCalculationMMFF94*, OpenBabel::OBFFVDWCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationMMFF94, std::allocator<OpenBabel::OBFFVDWCalculationMMFF94> >::push_back(OpenBabel::OBFFVDWCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3609:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:78:9: warning: ‘MEM[(const struct OBFFVDWCalculationMMFF94 &)&vdwcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   78 |   class OBFFVDWCalculationMMFF94 : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3485:30: note: ‘MEM[(const struct OBFFVDWCalculationMMFF94 &)&vdwcalc].rab’ was declared here
 3485 |     OBFFVDWCalculationMMFF94 vdwcalc;
      |                              ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationMMFF94::OBFFElectrostaticCalculationMMFF94(OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:89:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94>::construct<OpenBabel::OBFFElectrostaticCalculationMMFF94, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&>(OpenBabel::OBFFElectrostaticCalculationMMFF94*, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94> >::construct<OpenBabel::OBFFElectrostaticCalculationMMFF94, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94>&, OpenBabel::OBFFElectrostaticCalculationMMFF94*, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationMMFF94, std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94> >::push_back(OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3671:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3618:40: note: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ was declared here
 3618 |     OBFFElectrostaticCalculationMMFF94 elecalc;
      |                                        ^~~~~~~
In member function ‘OpenBabel::OBFFElectrostaticCalculationMMFF94::OBFFElectrostaticCalculationMMFF94(OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94>::construct<OpenBabel::OBFFElectrostaticCalculationMMFF94, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&>(OpenBabel::OBFFElectrostaticCalculationMMFF94*, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94> >::construct<OpenBabel::OBFFElectrostaticCalculationMMFF94, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94>&, OpenBabel::OBFFElectrostaticCalculationMMFF94*, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationMMFF94, std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94> >::push_back(OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3671:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:89:9: warning: ‘MEM[(const struct OBFFElectrostaticCalculationMMFF94 &)&elecalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   89 |   class OBFFElectrostaticCalculationMMFF94 : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3618:40: note: ‘MEM[(const struct OBFFElectrostaticCalculationMMFF94 &)&elecalc].rab’ was declared here
 3618 |     OBFFElectrostaticCalculationMMFF94 elecalc;
      |                                        ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4329:13: warning: ‘etot’ may be used uninitialized [-Wmaybe-uninitialized]
 4329 |       delta = (Energy() - etot);
      |       ~~~~~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:12: note: ‘etot’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |            ^~~~
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘*__snprintfieee128’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4301:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘ebond’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:18: note: ‘ebond’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                  ^~~~~
In function ‘*__snprintfieee128’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4305:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘eangle’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:25: note: ‘eangle’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                         ^~~~~~
In function ‘*__snprintfieee128’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4313:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘eoop’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:33: note: ‘eoop’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                 ^~~~
In function ‘*__snprintfieee128’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4309:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘estbn’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:39: note: ‘estbn’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                       ^~~~~
In function ‘*__snprintfieee128’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4317:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘etor’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:46: note: ‘etor’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                              ^~~~
In function ‘*__snprintfieee128’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4321:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘evdw’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:52: note: ‘evdw’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                                    ^~~~
In function ‘*__snprintfieee128’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4325:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘eeq’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:58: note: ‘eeq’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                                          ^~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 30%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/sort.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/sort.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/sort.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/sort.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/sort.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/sort.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/sort.cpp:32:28: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   32 | struct Order : public std::binary_function<std::pair<OBBase*,T>, std::pair<OBBase*,T>, bool>
      |                            ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 32%] Building CXX object src/formats/CMakeFiles/confabreport.dir/confabreport.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dconfabreport_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/confabreport.dir/confabreport.cpp.o -MF CMakeFiles/confabreport.dir/confabreport.cpp.o.d -o CMakeFiles/confabreport.dir/confabreport.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp: In member function ‘void OpenBabel::ConfabReport::WriteOutput(std::ostream&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp:129:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  129 |     for (int i=1; i < binvals.size(); i++)
      |                   ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp:134:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  134 |     for (int i=1; i < cumbins.size(); i++)
      |                   ~~^~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 33%] Linking CXX shared module ../../lib64/pngformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pngformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pngformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pngformat.so CMakeFiles/pngformat.dir/pngformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/acesformat.dir/DependInfo.cmake "--color="
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/usr/bin/make  -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/build
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[ 34%] Linking CXX shared module ../../lib64/confabreport.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/confabreport.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/confabreport.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/confabreport.so CMakeFiles/confabreport.dir/confabreport.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/make  -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/abinitformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 34%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/xout.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/xout.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/xout.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/xout.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/xout.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/xout.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 34%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/ophighlight.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/ophighlight.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/parsmart.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/ophighlight.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 30%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In instantiation of ‘void OpenBabel::OBFFVDWCalculationUFF::Compute() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:478:37:   required from ‘double OpenBabel::OBForceFieldUFF::E_VDW() [with bool <anonymous> = true]’
  478 |       i->template Compute<gradients>();
      |       ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:193:37:   required from here
  193 |       return gradients ? E_VDW<true>() : E_VDW<false>();
      |                          ~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:431:14: warning: unused variable ‘ab’ [-Wunused-variable]
  431 |       double ab[3];
      |              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In instantiation of ‘void OpenBabel::OBFFVDWCalculationUFF::Compute() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:478:37:   required from ‘double OpenBabel::OBForceFieldUFF::E_VDW() [with bool <anonymous> = false]’
  478 |       i->template Compute<gradients>();
      |       ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:193:54:   required from here
  193 |       return gradients ? E_VDW<true>() : E_VDW<false>();
      |                                          ~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:431:14: warning: unused variable ‘ab’ [-Wunused-variable]
  431 |       double ab[3];
      |              ^~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ was declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘elecalc’ declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘elecalc’ declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9: warning: ‘MEM[(const struct OBFFElectrostaticCalculationUFF &)&elecalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   82 |   class OBFFElectrostaticCalculationUFF : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘MEM[(const struct OBFFElectrostaticCalculationUFF &)&elecalc].rab’ was declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘elecalc’ declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘elecalc’ declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].energy’ was declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘bondcalc’ declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘bondcalc’ declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9: warning: ‘MEM[(const struct OBFFBondCalculationUFF &)&bondcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   30 |   class OBFFBondCalculationUFF : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘MEM[(const struct OBFFBondCalculationUFF &)&bondcalc].rab’ was declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9: warning: ‘MEM[(const struct OBFFBondCalculationUFF &)&bondcalc].delta’ may be used uninitialized [-Wmaybe-uninitialized]
   30 |   class OBFFBondCalculationUFF : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘MEM[(const struct OBFFBondCalculationUFF &)&bondcalc].delta’ was declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘bondcalc’ declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘bondcalc’ declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].energy’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].at’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].at’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM <unsigned char> [(struct OBFFAngleCalculationUFF *)&anglecalc + 156B]’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM <unsigned char> [(struct OBFFAngleCalculationUFF *)&anglecalc + 156B]’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].theta’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].theta’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].delta’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].delta’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rij’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rij’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rjk’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rjk’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rik’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rik’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘anglecalc.n’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘anglecalc.n’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 32%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.h:15,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/parsmart.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp: In member function ‘virtual bool OpenBabel::OpNewS::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp:303:28: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  303 |     if(pmol->NumHvyAtoms() != nPatternAtoms)
      |        ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 34%] Building CXX object src/formats/CMakeFiles/acesformat.dir/acesformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dacesformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/acesformat.dir/acesformat.cpp.o -MF CMakeFiles/acesformat.dir/acesformat.cpp.o.d -o CMakeFiles/acesformat.dir/acesformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acesformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acesformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 34%] Building CXX object src/formats/CMakeFiles/abinitformat.dir/abinitformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dabinitformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/abinitformat.dir/abinitformat.cpp.o -MF CMakeFiles/abinitformat.dir/abinitformat.cpp.o.d -o CMakeFiles/abinitformat.dir/abinitformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp: In member function ‘virtual bool OpenBabel::ABINITFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp:99:12: warning: variable ‘acell’ set but not used [-Wunused-but-set-variable]
   99 |     double acell[3]; // scale of lattice vectors
      |            ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp:212:23: warning: ‘natom’ may be used uninitialized [-Wmaybe-uninitialized]
  212 |     for (int i = 0; i < natom; ++i) {
      |                     ~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp:90:9: note: ‘natom’ was declared here
   90 |     int natom;
      |         ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 34%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp:29:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp: In member function ‘virtual bool OpenBabel::OpConformer::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp:287:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  287 |             if (p1>pmol->NumAtoms() || p2>pmol->NumAtoms()){
      |                 ~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp:287:42: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  287 |             if (p1>pmol->NumAtoms() || p2>pmol->NumAtoms()){
      |                                        ~~^~~~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/adfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 34%] Linking CXX shared module ../../lib64/abinitformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/abinitformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/abinitformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/abinitformat.so CMakeFiles/abinitformat.dir/abinitformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 34%] Built target abinitformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/aoforceformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 34%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp: In member function ‘void OpenBabel::OpConfab::Run(OpenBabel::OBConversion*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp:167:14: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  167 |     for (; c < mol.NumConformers(); ++c) {
      |            ~~^~~~~~~~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/castepformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 34%] Linking CXX shared module ../../lib64/acesformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/acesformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/acesformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/acesformat.so CMakeFiles/acesformat.dir/acesformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 34%] Built target acesformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/crystal09format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 34%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opalign.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opalign.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opalign.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 34%] Building CXX object src/formats/CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Daoforceformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o -MF CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o.d -o CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/aoforceformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/aoforceformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 34%] Building CXX object src/formats/CMakeFiles/castepformat.dir/castepformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcastepformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/castepformat.dir/castepformat.cpp.o -MF CMakeFiles/castepformat.dir/castepformat.cpp.o.d -o CMakeFiles/castepformat.dir/castepformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp: In member function ‘OpenBabel::CASTEPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:195:21: warning: ‘pressure’ may be used uninitialized [-Wmaybe-uninitialized]
  195 |         pv = volume * pressure * GPA_A3_TO_KCAL_PER_MOL;
      |              ~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:94:12: note: ‘pressure’ was declared here
   94 |     double pressure, volume, enthalpy;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:195:21: warning: ‘volume’ may be used uninitialized [-Wmaybe-uninitialized]
  195 |         pv = volume * pressure * GPA_A3_TO_KCAL_PER_MOL;
      |              ~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:94:22: note: ‘volume’ was declared here
   94 |     double pressure, volume, enthalpy;
      |                      ^~~~~~
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘*__snprintfieee128’,
    inlined from ‘OpenBabel::CASTEPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:211:17:
/usr/include/bits/stdio2.h:68:35: warning: ‘enthalpy’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp: In member function ‘OpenBabel::CASTEPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:94:30: note: ‘enthalpy’ was declared here
   94 |     double pressure, volume, enthalpy;
      |                              ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 36%] Linking CXX shared module ../../lib64/castepformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/castepformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/castepformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/castepformat.so CMakeFiles/castepformat.dir/castepformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 36%] Built target castepformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/daltonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 35%] Linking CXX shared module ../../lib64/aoforceformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/aoforceformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/aoforceformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/aoforceformat.so CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 36%] Built target aoforceformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/dmolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 34%] Building CXX object src/formats/CMakeFiles/crystal09format.dir/crystal09format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcrystal09format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/crystal09format.dir/crystal09format.cpp.o -MF CMakeFiles/crystal09format.dir/crystal09format.cpp.o.d -o CMakeFiles/crystal09format.dir/crystal09format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crystal09format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crystal09format.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crystal09format.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 34%] Building CXX object src/formats/CMakeFiles/adfformat.dir/adfformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dadfformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/adfformat.dir/adfformat.cpp.o -MF CMakeFiles/adfformat.dir/adfformat.cpp.o.d -o CMakeFiles/adfformat.dir/adfformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:29:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:37:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:46:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp: In member function ‘bool OpenBabel::OBT41Format::ReadASCII(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:871:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  871 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:871:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  871 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:884:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  884 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:884:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  884 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:906:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  906 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:906:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  906 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:921:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  921 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:921:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  921 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:936:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  936 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:936:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  936 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 36%] Building CXX object src/formats/CMakeFiles/daltonformat.dir/daltonformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Ddaltonformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/daltonformat.dir/daltonformat.cpp.o -MF CMakeFiles/daltonformat.dir/daltonformat.cpp.o.d -o CMakeFiles/daltonformat.dir/daltonformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp: In member function ‘virtual bool OpenBabel::DALTONInputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp:148:9: warning: variable ‘atomcount’ set but not used [-Wunused-but-set-variable]
  148 |     int atomcount = 0; // for each atom type
      |         ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp: In member function ‘virtual bool OpenBabel::DALTONInputFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp:312:31: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  312 |       if(atom->GetAtomicNum() != atomtype)
      |          ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp:332:31: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  332 |       if(atom->GetAtomicNum() != atomtype)
      |          ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 37%] Linking CXX shared module ../../lib64/crystal09format.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/crystal09format.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/crystal09format.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/crystal09format.so CMakeFiles/crystal09format.dir/crystal09format.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 37%] Built target crystal09format
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/fchkformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 36%] Building CXX object src/formats/CMakeFiles/dmolformat.dir/dmolformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Ddmolformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/dmolformat.dir/dmolformat.cpp.o -MF CMakeFiles/dmolformat.dir/dmolformat.cpp.o.d -o CMakeFiles/dmolformat.dir/dmolformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dmolformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dmolformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 38%] Linking CXX shared module ../../lib64/dmolformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/dmolformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/dmolformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/dmolformat.so CMakeFiles/dmolformat.dir/dmolformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 37%] Linking CXX shared module ../../lib64/daltonformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/daltonformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/daltonformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/daltonformat.so CMakeFiles/daltonformat.dir/daltonformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 38%] Built target daltonformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/depend
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[ 38%] Built target dmolformat
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/usr/bin/make  -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/fhiaimsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/gamessformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 37%] Linking CXX shared module ../../lib64/adfformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/adfformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/adfformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/adfformat.so CMakeFiles/adfformat.dir/adfformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 38%] Built target adfformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/gaussformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 38%] Building CXX object src/formats/CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfhiaimsformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o -MF CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o.d -o CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fhiaimsformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fhiaimsformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 39%] Linking CXX shared module ../../lib64/fhiaimsformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fhiaimsformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fhiaimsformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fhiaimsformat.so CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 39%] Built target fhiaimsformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/gausscubeformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 35%] Linking CXX shared module ../lib64/plugin_ops.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_ops.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/plugin_ops.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/plugin_ops.so CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o CMakeFiles/plugin_ops.dir/ops/largest.cpp.o CMakeFiles/plugin_ops.dir/ops/loader.cpp.o CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o CMakeFiles/plugin_ops.dir/ops/sort.cpp.o CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o CMakeFiles/plugin_ops.dir/ops/xout.cpp.o CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o  -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 39%] Built target plugin_ops
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/gausszmatformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 38%] Building CXX object src/formats/CMakeFiles/fchkformat.dir/fchkformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfchkformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fchkformat.dir/fchkformat.cpp.o -MF CMakeFiles/fchkformat.dir/fchkformat.cpp.o.d -o CMakeFiles/fchkformat.dir/fchkformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/functional:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp: In member function ‘virtual bool OpenBabel::FCHKFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:596:40: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  596 |         if (alphaorb_found && (numAOrb > alphaorb.size()))
      |                                ~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:609:40: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  609 |         if (betaorb_found &&  (numBOrb > betaorb.size()))
      |                                ~~~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:668:43: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = less_equal<int>; _Tp = int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  668 |                                    bind2nd(less_equal<int>(), 0)) ||
      |                                    ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441:
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:671:43: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = greater<int>; _Tp = int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  671 |                                    bind2nd(greater<int>(), MxBond)) ||
      |                                    ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:674:43: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = less<int>; _Tp = int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  674 |                                    bind2nd(less<int>(), 0)) ||
      |                                    ~~~~~~~^~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:677:43: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = greater<int>; _Tp = int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  677 |                                    bind2nd(greater<int>(), Natoms)))
      |                                    ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:700:40: warning: comparison of integer expressions of different signedness: ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  700 |     if (numAOrb > 0 && alphaorb.size() == numAOrb) {
      |                        ~~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:704:41: warning: comparison of integer expressions of different signedness: ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  704 |       if (numBOrb > 0 && betaorb.size() == numBOrb) {  // open shell calculation
      |                          ~~~~~~~~~~~~~~~^~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 39%] Linking CXX shared module ../../lib64/fchkformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fchkformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fchkformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fchkformat.so CMakeFiles/fchkformat.dir/fchkformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 39%] Built target fchkformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/gulpformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 39%] Building CXX object src/formats/CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgausszmatformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o -MF CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o.d -o CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausszmatformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausszmatformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 39%] Building CXX object src/formats/CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgausscubeformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o -MF CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o.d -o CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp: In member function ‘virtual bool OpenBabel::OBGaussianCubeFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:432:25: warning: comparison of integer expressions of different signedness: ‘std::vector<OpenBabel::OBGridData*>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  432 |       while (vgd.size() < nCubes)
      |              ~~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:479:26: warning: comparison of integer expressions of different signedness: ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  479 |     while (values.size() < n*nCubes)
      |            ~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:114:17: warning: unused variable ‘title’ [-Wunused-variable]
  114 |     const char* title = pConv->GetTitle();
      |                 ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 23%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qeq.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qeq.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qeq.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:341,
                 from /usr/include/eigen3/Eigen/LU:11,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qeq.h:29:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h: In function ‘Eigen::internal::trmv_selector<6, 1>::run<Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const>, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const>, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> > >(Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const> const&, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const> const&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >::Scalar const&)void [clone .isra.0]’:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:332:12: warning: ‘result_47’ may be used uninitialized [-Wmaybe-uninitialized]
  327 |     internal::triangular_matrix_vector_product
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  328 |       <Index,Mode,
      |       ~~~~~~~~~~~~
  329 |        LhsScalar, LhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  330 |        RhsScalar, RhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  331 |        RowMajor>
      |        ~~~~~~~~~
  332 |       ::run(actualLhs.rows(),actualLhs.cols(),
      |       ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  333 |             actualLhs.data(),actualLhs.outerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  334 |             actualRhsPtr,1,
      |             ~~~~~~~~~~~~~~~
  335 |             dest.data(),dest.innerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  336 |             actualAlpha);
      |             ~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:105:24: note: by argument 5 of type ‘const double *’ to ‘Eigen::internal::triangular_matrix_vector_product<long, 6, double, false, double, false, 1, 0>::run(long, long, double const*, long, double const*, long, double*, long, double const&) [clone .constprop.0]’ declared here
  105 | EIGEN_DONT_INLINE void triangular_matrix_vector_product<Index,Mode,LhsScalar,ConjLhs,RhsScalar,ConjRhs,RowMajor,Version>
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/hinformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 40%] Building CXX object src/formats/CMakeFiles/gulpformat.dir/gulpformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgulpformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gulpformat.dir/gulpformat.cpp.o -MF CMakeFiles/gulpformat.dir/gulpformat.cpp.o.d -o CMakeFiles/gulpformat.dir/gulpformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp: In member function ‘OpenBabel::GULPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:359:14: warning: ‘enthalpy_eV’ may be used uninitialized [-Wmaybe-uninitialized]
  359 |       double en_kcal_per_mole = enthalpy_eV * EV_TO_KCAL_PER_MOL;
      |              ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:96:12: note: ‘enthalpy_eV’ was declared here
   96 |     double enthalpy_eV, pv_eV;
      |            ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:360:14: warning: ‘pv_eV’ may be used uninitialized [-Wmaybe-uninitialized]
  360 |       double pv_kcal_per_mole = pv_eV * EV_TO_KCAL_PER_MOL;
      |              ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:96:25: note: ‘pv_eV’ was declared here
   96 |     double enthalpy_eV, pv_eV;
      |                         ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 40%] Linking CXX shared module ../../lib64/gausszmatformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gausszmatformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gausszmatformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gausszmatformat.so CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 40%] Built target gausszmatformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/jaguarformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 38%] Building CXX object src/formats/CMakeFiles/gamessformat.dir/gamessformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgamessformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gamessformat.dir/gamessformat.cpp.o -MF CMakeFiles/gamessformat.dir/gamessformat.cpp.o.d -o CMakeFiles/gamessformat.dir/gamessformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp: In member function ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:587:38: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  587 |             for (unsigned int i=0; i < modeCount;  ++i) {
      |                                    ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:233:9: warning: variable ‘ndummyatoms’ set but not used [-Wunused-but-set-variable]
  233 |     int ndummyatoms = 0;
      |         ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:540:13: warning: ‘lowFreqModesBegin’ may be used uninitialized [-Wmaybe-uninitialized]
  540 |             if (numIntens < lowFreqModesBegin || numIntens > lowFreqModesEnd)
      |             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:244:9: note: ‘lowFreqModesBegin’ was declared here
  244 |     int lowFreqModesBegin;           // the number of the first low frequency mode
      |         ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:540:47: warning: ‘lowFreqModesEnd’ may be used uninitialized [-Wmaybe-uninitialized]
  540 |             if (numIntens < lowFreqModesBegin || numIntens > lowFreqModesEnd)
      |                 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:245:9: note: ‘lowFreqModesEnd’ was declared here
  245 |     int lowFreqModesEnd;             // the number of the last low frequency mode
      |         ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 40%] Building CXX object src/formats/CMakeFiles/hinformat.dir/hinformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dhinformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/hinformat.dir/hinformat.cpp.o -MF CMakeFiles/hinformat.dir/hinformat.cpp.o.d -o CMakeFiles/hinformat.dir/hinformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/hinformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/hinformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 40%] Linking CXX shared module ../../lib64/gausscubeformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gausscubeformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gausscubeformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gausscubeformat.so CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 41%] Built target gausscubeformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/molproformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 41%] Linking CXX shared module ../../lib64/hinformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/hinformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/hinformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/hinformat.so CMakeFiles/hinformat.dir/hinformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 41%] Built target hinformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/mopacformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 40%] Linking CXX shared module ../../lib64/gulpformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gulpformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gulpformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gulpformat.so CMakeFiles/gulpformat.dir/gulpformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 42%] Built target gulpformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/nwchemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 40%] Building CXX object src/formats/CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Djaguarformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o -MF CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o.d -o CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/jaguarformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/jaguarformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 39%] Building CXX object src/formats/CMakeFiles/gaussformat.dir/gaussformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgaussformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gaussformat.dir/gaussformat.cpp.o -MF CMakeFiles/gaussformat.dir/gaussformat.cpp.o.d -o CMakeFiles/gaussformat.dir/gaussformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/data.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp: In function ‘void OpenBabel::add_unique_pairdata_to_mol(OBMol*, std::string, std::string, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:285:19: warning: comparison of integer expressions of different signedness: ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  285 |     if (vs.size() >= start)
      |         ~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:288:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  288 |         for(i=start+1; (i<vs.size()); i++)
      |                         ~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp: In function ‘int OpenBabel::extract_thermo(OBMol*, std::string, double, double, double, double, double, double, int, std::vector<double>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:339:17: warning: unused variable ‘pg’ [-Wunused-variable]
  339 |     const char *pg = obPG.IdentifyPointGroup();
      |                 ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 42%] Linking CXX shared module ../../lib64/jaguarformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/jaguarformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/jaguarformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/jaguarformat.so CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 42%] Built target jaguarformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/pwscfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 41%] Building CXX object src/formats/CMakeFiles/molproformat.dir/molproformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmolproformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/molproformat.dir/molproformat.cpp.o -MF CMakeFiles/molproformat.dir/molproformat.cpp.o.d -o CMakeFiles/molproformat.dir/molproformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/molproformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/molproformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 42%] Linking CXX shared module ../../lib64/molproformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/molproformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/molproformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/molproformat.so CMakeFiles/molproformat.dir/molproformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 42%] Built target molproformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/qchemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 42%] Building CXX object src/formats/CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpwscfformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o -MF CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o.d -o CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘*__snprintfieee128’,
    inlined from ‘OpenBabel::PWscfFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:282:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘enthalpy’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp: In member function ‘OpenBabel::PWscfFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:98:12: note: ‘enthalpy’ was declared here
   98 |     double enthalpy, pv;
      |            ^~~~~~~~
In function ‘*__snprintfieee128’,
    inlined from ‘OpenBabel::PWscfFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:284:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘pv’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp: In member function ‘OpenBabel::PWscfFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:98:22: note: ‘pv’ was declared here
   98 |     double enthalpy, pv;
      |                      ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 43%] Linking CXX shared module ../../lib64/pwscfformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pwscfformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pwscfformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pwscfformat.so CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 43%] Built target pwscfformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/siestaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 41%] Linking CXX shared module ../../lib64/gamessformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gamessformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gamessformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gamessformat.so CMakeFiles/gamessformat.dir/gamessformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Built target gamessformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/turbomoleformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 42%] Building CXX object src/formats/CMakeFiles/mopacformat.dir/mopacformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmopacformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mopacformat.dir/mopacformat.cpp.o -MF CMakeFiles/mopacformat.dir/mopacformat.cpp.o.d -o CMakeFiles/mopacformat.dir/mopacformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp: In member function ‘virtual bool OpenBabel::MOPACCARTFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:650:19: warning: variable ‘isotopeMass’ set but not used [-Wunused-but-set-variable]
  650 |     double x,y,z, isotopeMass;
      |                   ^~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/atom.h:35,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:19:
In member function ‘OpenBabel::vector3::Set(double, double, double)’,
    inlined from ‘OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:216:66:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/vector3.h:89:11: warning: ‘x’ may be used uninitialized [-Wmaybe-uninitialized]
   89 |       _vx = inX;
      |       ~~~~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp: In member function ‘OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:81:12: note: ‘x’ was declared here
   81 |     double x,y,z;
      |            ^
In member function ‘OpenBabel::vector3::Set(double, double, double)’,
    inlined from ‘OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:216:66:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/vector3.h:90:11: warning: ‘y’ may be used uninitialized [-Wmaybe-uninitialized]
   90 |       _vy = inY;
      |       ~~~~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp: In member function ‘OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:81:14: note: ‘y’ was declared here
   81 |     double x,y,z;
      |              ^
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 34%] Linking CXX shared module ../lib64/plugin_forcefields.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_forcefields.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/plugin_forcefields.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/plugin_forcefields.so CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o  -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Built target plugin_forcefields
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/vaspformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 42%] Building CXX object src/formats/CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dnwchemformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o -MF CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o.d -o CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadCoordinates(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:228:72: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  228 |             if ((i>=natoms) || (molecule->GetAtom(i+1)->GetAtomicNum() != atoi(vs[2].c_str())))
      |                                 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadMultipoleMoment(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:306:17: warning: suggest explicit braces to avoid ambiguous ‘else’ [-Wdangling-else]
  306 |         else if (vs[0][0] == '1')
      |                 ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadPartialCharges(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:423:56: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  423 |             if (molecule->GetAtom(i++)->GetAtomicNum() != charge)
      |                 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadMEPCalculation(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:571:25: warning: comparison of integer expressions of different signedness: ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  571 |     if (energies.size() != molecule->NumConformers())
      |         ~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadZTSCalculation(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:932:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  932 |                 if (atoi(buffer) != natoms)
      |                     ~~~~~~~~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: At global scope:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:111:20: warning: ‘OpenBabel::BETA_ORBITAL_PATTERN’ defined but not used [-Wunused-variable]
  111 | static const char* BETA_ORBITAL_PATTERN = "Beta";
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘OpenBabel::NWChemOutputFormat::ReadZTSCalculation(std::basic_istream<char, std::char_traits<char> >*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:957:21: warning: ‘nbeads’ may be used uninitialized [-Wmaybe-uninitialized]
  957 |                     if (bead_number != nbeads)
      |                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:900:18: note: ‘nbeads’ was declared here
  900 |     unsigned int nbeads;
      |                  ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘OpenBabel::NWChemOutputFormat::ReadSinglePointCalculation(std::basic_istream<char, std::char_traits<char> >*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:772:5: warning: ‘energy’ may be used uninitialized [-Wmaybe-uninitialized]
  772 |     if (energy == 0)
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:750:12: note: ‘energy’ was declared here
  750 |     double energy;
      |            ^~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Building CXX object src/formats/CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dturbomoleformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o -MF CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o.d -o CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/turbomoleformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/turbomoleformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 42%] Building CXX object src/formats/CMakeFiles/qchemformat.dir/qchemformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dqchemformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/qchemformat.dir/qchemformat.cpp.o -MF CMakeFiles/qchemformat.dir/qchemformat.cpp.o.d -o CMakeFiles/qchemformat.dir/qchemformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp: In member function ‘virtual bool OpenBabel::QChemOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp:194:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  194 |             if (nbAtomRead != mol.NumAtoms())
      |                 ~~~~~~~~~~~^~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Linking CXX shared module ../../lib64/turbomoleformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/turbomoleformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/turbomoleformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/turbomoleformat.so CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Built target turbomoleformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/xsfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Building CXX object src/formats/CMakeFiles/siestaformat.dir/siestaformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dsiestaformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/siestaformat.dir/siestaformat.cpp.o -MF CMakeFiles/siestaformat.dir/siestaformat.cpp.o.d -o CMakeFiles/siestaformat.dir/siestaformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp: In member function ‘virtual bool OpenBabel::SIESTAFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp:92:10: warning: variable ‘coordsAreAngstrom’ set but not used [-Wunused-but-set-variable]
   92 |     bool coordsAreAngstrom = false;
      |          ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp:98:12: warning: variable ‘size’ set but not used [-Wunused-but-set-variable]
   98 |     size_t size;
      |            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp:102:30: warning: unused variable ‘numSpecies’ [-Wunused-variable]
  102 |     int atomicNum, numAtoms, numSpecies;
      |                              ^~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 42%] Linking CXX shared module ../../lib64/gaussformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gaussformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gaussformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gaussformat.so CMakeFiles/gaussformat.dir/gaussformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Built target gaussformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/zindoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Linking CXX shared module ../../lib64/mopacformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mopacformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mopacformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mopacformat.so CMakeFiles/mopacformat.dir/mopacformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/gamessukformat.dir/DependInfo.cmake "--color="
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[ 44%] Linking CXX shared module ../../lib64/qchemformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/qchemformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/qchemformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/qchemformat.so CMakeFiles/qchemformat.dir/qchemformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/orcaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 30%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qtpie.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qtpie.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qtpie.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:341,
                 from /usr/include/eigen3/Eigen/LU:11,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qtpie.h:29:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h: In function ‘Eigen::internal::trmv_selector<6, 1>::run<Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const>, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const>, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> > >(Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const> const&, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const> const&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >::Scalar const&)void [clone .isra.0]’:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:332:12: warning: ‘result_47’ may be used uninitialized [-Wmaybe-uninitialized]
  327 |     internal::triangular_matrix_vector_product
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  328 |       <Index,Mode,
      |       ~~~~~~~~~~~~
  329 |        LhsScalar, LhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  330 |        RhsScalar, RhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  331 |        RowMajor>
      |        ~~~~~~~~~
  332 |       ::run(actualLhs.rows(),actualLhs.cols(),
      |       ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  333 |             actualLhs.data(),actualLhs.outerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  334 |             actualRhsPtr,1,
      |             ~~~~~~~~~~~~~~~
  335 |             dest.data(),dest.innerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  336 |             actualAlpha);
      |             ~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:105:24: note: by argument 5 of type ‘const double *’ to ‘Eigen::internal::triangular_matrix_vector_product<long, 6, double, false, double, false, 1, 0>::run(long, long, double const*, long, double const*, long, double*, long, double const&) [clone .constprop.0]’ declared here
  105 | EIGEN_DONT_INLINE void triangular_matrix_vector_product<Index,Mode,LhsScalar,ConjLhs,RhsScalar,ConjRhs,RowMajor,Version>
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Linking CXX shared module ../../lib64/nwchemformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/nwchemformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/nwchemformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/nwchemformat.so CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Built target nwchemformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/APIInterface.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Building CXX object src/formats/CMakeFiles/xsfformat.dir/xsfformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxsfformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xsfformat.dir/xsfformat.cpp.o -MF CMakeFiles/xsfformat.dir/xsfformat.cpp.o.d -o CMakeFiles/xsfformat.dir/xsfformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xsfformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xsfformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Building CXX object src/formats/CMakeFiles/zindoformat.dir/zindoformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dzindoformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/zindoformat.dir/zindoformat.cpp.o -MF CMakeFiles/zindoformat.dir/zindoformat.cpp.o.d -o CMakeFiles/zindoformat.dir/zindoformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/zindoformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/zindoformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Linking CXX shared module ../../lib64/siestaformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/siestaformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/siestaformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/siestaformat.so CMakeFiles/siestaformat.dir/siestaformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 45%] Built target siestaformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/CSRformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Building CXX object src/formats/CMakeFiles/APIInterface.dir/APIInterface.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DAPIInterface_EXPORTS -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/APIInterface.dir/APIInterface.cpp.o -MF CMakeFiles/APIInterface.dir/APIInterface.cpp.o.d -o CMakeFiles/APIInterface.dir/APIInterface.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/APIInterface.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/APIInterface.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 45%] Linking CXX shared module ../../lib64/zindoformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/zindoformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/zindoformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/zindoformat.so CMakeFiles/zindoformat.dir/zindoformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 45%] Built target zindoformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Linking CXX shared module ../../lib64/xsfformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xsfformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/xsfformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/xsfformat.so CMakeFiles/xsfformat.dir/xsfformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/PQSformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/build
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 45%] Built target xsfformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/MCDLformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 45%] Linking CXX shared module ../../lib64/APIInterface.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/APIInterface.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/APIInterface.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/APIInterface.so CMakeFiles/APIInterface.dir/APIInterface.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 46%] Built target APIInterface
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/alchemyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 45%] Building CXX object src/formats/CMakeFiles/CSRformat.dir/CSRformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DCSRformat_EXPORTS -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/CSRformat.dir/CSRformat.cpp.o -MF CMakeFiles/CSRformat.dir/CSRformat.cpp.o.d -o CMakeFiles/CSRformat.dir/CSRformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp: In member function ‘OpenBabel::CSRFormat::PadString(char*, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp:192:12: warning: ‘__strncpy_chk’ output truncated before terminating nul copying as many bytes from a string as its length [-Wstringop-truncation]
  192 |     strncpy(output, input, strlen(input));
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp:192:12: note: length computed here
  192 |     strncpy(output, input, strlen(input));
      |     ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 46%] Linking CXX shared module ../../lib64/CSRformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/CSRformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/CSRformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/CSRformat.so CMakeFiles/CSRformat.dir/CSRformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 46%] Built target CSRformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/acrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Building CXX object src/formats/CMakeFiles/vaspformat.dir/vaspformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dvaspformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/vaspformat.dir/vaspformat.cpp.o -MF CMakeFiles/vaspformat.dir/vaspformat.cpp.o.d -o CMakeFiles/vaspformat.dir/vaspformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp: In member function ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:451:17: warning: unused variable ‘freqnum’ [-Wunused-variable]
  451 |             int freqnum = atoi(vs[0].c_str());
      |                 ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:535:35: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = not_equal_to<double>; _Tp = double]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  535 |                       std::bind2nd(std::not_equal_to<double>(), 0.0));
      |                       ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441:
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:589:36: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = divides<double>; _Tp = double]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  589 |                        std::bind2nd(std::divides<double>(), max / 100.0));
      |                        ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp: In member function ‘virtual bool OpenBabel::VASPFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:668:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBAtom*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  668 |     for(int i = 0; i < atoms_sorted.size(); i++)
      |                    ~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp: In member function ‘OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:410:21: warning: ‘fermi’ may be used uninitialized [-Wmaybe-uninitialized]
  410 |         dos->SetData(fermi, energies, densities, integration);
      |         ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:392:14: note: ‘fermi’ was declared here
  392 |       double fermi;
      |              ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:556:14: warning: ‘enthalpy_eV’ may be used uninitialized [-Wmaybe-uninitialized]
  556 |       double en_kcal_per_mole = enthalpy_eV * EV_TO_KCAL_PER_MOL;
      |              ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:171:12: note: ‘enthalpy_eV’ was declared here
  171 |     double enthalpy_eV, pv_eV;
      |            ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:557:14: warning: ‘pv_eV’ may be used uninitialized [-Wmaybe-uninitialized]
  557 |       double pv_kcal_per_mole = pv_eV * EV_TO_KCAL_PER_MOL;
      |              ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:171:25: note: ‘pv_eV’ was declared here
  171 |     double enthalpy_eV, pv_eV;
      |                         ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 45%] Building CXX object src/formats/CMakeFiles/PQSformat.dir/PQSformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DPQSformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/PQSformat.dir/PQSformat.cpp.o -MF CMakeFiles/PQSformat.dir/PQSformat.cpp.o.d -o CMakeFiles/PQSformat.dir/PQSformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp: In member function ‘OpenBabel::PQSFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp:263:49: warning: ‘pFormat’ may be used uninitialized [-Wmaybe-uninitialized]
  263 |                     return pFormat->ReadMolecule(&mol,&coordconv);
      |                            ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp:254:31: note: ‘pFormat’ was declared here
  254 |                     OBFormat* pFormat;
      |                               ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 46%] Building CXX object src/formats/CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dalchemyformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o -MF CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o.d -o CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/alchemyformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/alchemyformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 49%] Linking CXX shared module ../../lib64/alchemyformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/alchemyformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/alchemyformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/alchemyformat.so CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 49%] Built target alchemyformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 47%] Building CXX object src/formats/CMakeFiles/acrformat.dir/acrformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dacrformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/acrformat.dir/acrformat.cpp.o -MF CMakeFiles/acrformat.dir/acrformat.cpp.o.d -o CMakeFiles/acrformat.dir/acrformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp: In member function ‘OpenBabel::ACRFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:166:12: warning: ‘atoms’ may be used uninitialized [-Wmaybe-uninitialized]
  166 |     } else if ( pmol->NumAtoms() != atoms ) {
      |            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:95:18: note: ‘atoms’ was declared here
   95 |     unsigned int atoms, bonds, tmp;
      |                  ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:162:5: warning: ‘bonds’ may be used uninitialized [-Wmaybe-uninitialized]
  162 |     if ( pmol->NumBonds() != bonds ) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:95:25: note: ‘bonds’ was declared here
   95 |     unsigned int atoms, bonds, tmp;
      |                         ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 48%] Linking CXX shared module ../../lib64/PQSformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/PQSformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/PQSformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/PQSformat.so CMakeFiles/PQSformat.dir/PQSformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 49%] Built target PQSformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/amberformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 49%] Linking CXX shared module ../../lib64/acrformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/acrformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/acrformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/acrformat.so CMakeFiles/acrformat.dir/acrformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 49%] Built target acrformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/balstformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Building CXX object src/formats/CMakeFiles/orcaformat.dir/orcaformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dorcaformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/orcaformat.dir/orcaformat.cpp.o -MF CMakeFiles/orcaformat.dir/orcaformat.cpp.o.d -o CMakeFiles/orcaformat.dir/orcaformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp: In member function ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:348:33: warning: comparison of integer expressions of different signedness: ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  348 |                 while(vs.size() == nColumn+1) {
      |                       ~~~~~~~~~~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:363:48: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  363 |                     for (unsigned int i = 0; i < nColumn; i++) {
      |                                              ~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:375:44: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  375 |                 for (unsigned int i = 0; i < nColumn; i++) {
      |                                          ~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:131:12: warning: unused variable ‘energy’ [-Wunused-variable]
  131 |     double energy=0;
      |            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:138:9: warning: variable ‘nModeAll’ set but not used [-Wunused-but-set-variable]
  138 |     int nModeAll = 0;
      |         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:149:13: warning: ‘confCoords’ may be used uninitialized [-Wmaybe-uninitialized]
  149 |     double* confCoords;
      |             ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:220:36: warning: ‘atom’ may be used uninitialized [-Wmaybe-uninitialized]
  220 |                     atom->SetVector(x,y,z); //set atom coordinates
      |                     ~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:162:13: note: ‘atom’ was declared here
  162 |     OBAtom *atom;
      |             ^~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 49%] Building CXX object src/formats/CMakeFiles/balstformat.dir/balstformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbalstformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/balstformat.dir/balstformat.cpp.o -MF CMakeFiles/balstformat.dir/balstformat.cpp.o.d -o CMakeFiles/balstformat.dir/balstformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/balstformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/balstformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 49%] Building CXX object src/formats/CMakeFiles/amberformat.dir/amberformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Damberformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/amberformat.dir/amberformat.cpp.o -MF CMakeFiles/amberformat.dir/amberformat.cpp.o.d -o CMakeFiles/amberformat.dir/amberformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/amberformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/amberformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 49%] Linking CXX shared module ../../lib64/balstformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/balstformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/balstformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/balstformat.so CMakeFiles/balstformat.dir/balstformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 49%] Built target balstformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/bgfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 49%] Linking CXX shared module ../../lib64/amberformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/amberformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/amberformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/amberformat.so CMakeFiles/amberformat.dir/amberformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 50%] Built target amberformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Building CXX object src/formats/CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgamessukformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o -MF CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o.d -o CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp: In member function ‘bool OpenBabel::GAMESSUKOutputFormat::ReadInitialCartesian(OpenBabel::OBMol&, std::istream&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:787:10: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
  787 |     bool ok=false;
      |          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp: In member function ‘bool OpenBabel::GAMESSUKOutputFormat::ReadOptGeomXyz1(OpenBabel::OBMol&, std::istream&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:853:12: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
  853 |       bool ok=false;
      |            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp: In member function ‘bool OpenBabel::GAMESSUKOutputFormat::ReadOptGeomXyz2(OpenBabel::OBMol&, std::istream&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:900:12: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
  900 |       bool ok=false;
      |            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp: In member function ‘virtual bool OpenBabel::GAMESSUKOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:1215:12: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
 1215 |       bool ok;
      |            ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 47%] Linking CXX shared module ../../lib64/vaspformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/vaspformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/vaspformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/vaspformat.so CMakeFiles/vaspformat.dir/vaspformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 50%] Built target vaspformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/boxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 50%] Building CXX object src/formats/CMakeFiles/boxformat.dir/boxformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dboxformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/boxformat.dir/boxformat.cpp.o -MF CMakeFiles/boxformat.dir/boxformat.cpp.o.d -o CMakeFiles/boxformat.dir/boxformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/boxformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/boxformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 50%] Building CXX object src/formats/CMakeFiles/bgfformat.dir/bgfformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbgfformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/bgfformat.dir/bgfformat.cpp.o -MF CMakeFiles/bgfformat.dir/bgfformat.cpp.o.d -o CMakeFiles/bgfformat.dir/bgfformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/bgfformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/bgfformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 50%] Linking CXX shared module ../../lib64/boxformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/boxformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/boxformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/boxformat.so CMakeFiles/boxformat.dir/boxformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 50%] Built target boxformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 49%] Linking CXX shared module ../../lib64/orcaformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/orcaformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/orcaformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/orcaformat.so CMakeFiles/orcaformat.dir/orcaformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/cacaoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/build
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 50%] Built target orcaformat
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/usr/bin/make  -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/cacheformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 50%] Linking CXX shared module ../../lib64/bgfformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/bgfformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/bgfformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/bgfformat.so CMakeFiles/bgfformat.dir/bgfformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Built target bgfformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/carformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 46%] Building CXX object src/formats/CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMCDLformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o -MF CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o.d -o CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘void OpenBabel::MCDLFormat::solve(int, int (*)[4], int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:283:9: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  283 |         if (jflag)
      |         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:287:13: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  287 |             nt = 1;
      |             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘void OpenBabel::MCDLFormat::setMCDL(std::string, OpenBabel::OBMol*, std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:1267:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1267 |     if (nPrev == acount) {
      |         ~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘int OpenBabel::MCDLFormat::indexOf(std::string, std::string, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:1385:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘const std::__cxx11::basic_string<char>::size_type’ {aka ‘const long unsigned int’} [-Wsign-compare]
 1385 |     if (result == string::npos) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:1386:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1386 |     if (result >= instring.length()) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘int OpenBabel::MCDLFormat::lastIndexOf(std::string, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:1399:11: warning: comparison of integer expressions of different signedness: ‘int’ and ‘const std::__cxx11::basic_string<char>::size_type’ {aka ‘const long unsigned int’} [-Wsign-compare]
 1399 |     if (n == string::npos)
      |         ~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘OpenBabel::MCDLFormat::solve(int, int (*) [4], int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:390:24: warning: ‘numdups’ may be used uninitialized [-Wmaybe-uninitialized]
  390 |             for (j=0; j<numdups; j++)
      |                       ~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:242:10: note: ‘numdups’ was declared here
  242 |     int  numdups, dupfrag, jump;
      |          ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:242:28: warning: ‘jump’ may be used uninitialized [-Wmaybe-uninitialized]
  242 |     int  numdups, dupfrag, jump;
      |                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:398:17: warning: ‘dupfrag’ may be used uninitialized [-Wmaybe-uninitialized]
  398 |                 if (ix[i] > dupfrag)
      |                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:242:19: note: ‘dupfrag’ was declared here
  242 |     int  numdups, dupfrag, jump;
      |                   ^~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/cccformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/cacheformat.dir/cacheformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcacheformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cacheformat.dir/cacheformat.cpp.o -MF CMakeFiles/cacheformat.dir/cacheformat.cpp.o.d -o CMakeFiles/cacheformat.dir/cacheformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cacheformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cacheformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/cacheformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cacheformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cacheformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cacheformat.so CMakeFiles/cacheformat.dir/cacheformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Built target cacheformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/chem3dformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/cccformat.dir/cccformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcccformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cccformat.dir/cccformat.cpp.o -MF CMakeFiles/cccformat.dir/cccformat.cpp.o.d -o CMakeFiles/cccformat.dir/cccformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cccformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cccformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/carformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/carformat.dir/carformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcarformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/carformat.dir/carformat.cpp.o -MF CMakeFiles/carformat.dir/carformat.cpp.o.d -o CMakeFiles/carformat.dir/carformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/carformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/cccformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cccformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cccformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cccformat.so CMakeFiles/cccformat.dir/cccformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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[ 51%] Built target cccformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawct.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gamessukformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gamessukformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gamessukformat.so CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/make  -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/depend
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[ 51%] Linking CXX shared module ../../lib64/carformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/carformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/carformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/carformat.so CMakeFiles/carformat.dir/carformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/chemtoolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/build
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Built target carformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/cifformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 50%] Building CXX object src/formats/CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcacaoformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o -MF CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o.d -o CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cacaoformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cacaoformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/cacaoformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cacaoformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cacaoformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cacaoformat.so CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Built target cacaoformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/cofformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/build
/usr/bin/make  -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemdrawct_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o -MF CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o.d -o CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawct.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawct.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/crkformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemtoolformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o -MF CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o.d -o CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemtoolformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemtoolformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchem3dformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o -MF CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o.d -o CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chem3dformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chem3dformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/matrix3x3.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chem3dformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/chemtoolformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemtoolformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/chemtoolformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemtoolformat.so CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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[ 51%] Linking CXX shared module ../../lib64/chemdrawct.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdrawct.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/chemdrawct.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemdrawct.so CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/dlpolyformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/cssrformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chem3dformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/chem3dformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chem3dformat.so CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/exyzformat.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Linking CXX shared module ../lib64/plugin_charges.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_charges.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/plugin_charges.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/plugin_charges.so CMakeFiles/plugin_charges.dir/charges/eem.cpp.o CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o CMakeFiles/plugin_charges.dir/charges/none.cpp.o CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o  -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 52%] Built target plugin_charges
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/fastsearchformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/crkformat.dir/crkformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcrkformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/crkformat.dir/crkformat.cpp.o -MF CMakeFiles/crkformat.dir/crkformat.cpp.o.d -o CMakeFiles/crkformat.dir/crkformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crkformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crkformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/cssrformat.dir/cssrformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcssrformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cssrformat.dir/cssrformat.cpp.o -MF CMakeFiles/cssrformat.dir/cssrformat.cpp.o.d -o CMakeFiles/cssrformat.dir/cssrformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cssrformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cssrformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 52%] Linking CXX shared module ../../lib64/cssrformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cssrformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cssrformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cssrformat.so CMakeFiles/cssrformat.dir/cssrformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 52%] Built target cssrformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/fastaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/cofformat.dir/cofformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcofformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cofformat.dir/cofformat.cpp.o -MF CMakeFiles/cofformat.dir/cofformat.cpp.o.d -o CMakeFiles/cofformat.dir/cofformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp: In member function ‘virtual bool OpenBabel::COFFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:133:22: warning: comparison of integer expressions of different signedness: ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  133 |         if(vs.size() < offset+9)
      |            ~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:180:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  180 |           for(int j=0 ; j< natoms ; j++)
      |                         ~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp: In member function ‘virtual bool OpenBabel::COFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:368:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  368 |       for( int j=0; j<elems.size(); j++)
      |                     ~^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:410:9: warning: unused variable ‘nbonds’ [-Wunused-variable]
  410 |     int nbonds = mol.NumBonds();
      |         ^~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 52%] Linking CXX shared module ../../lib64/crkformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/crkformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/crkformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/crkformat.so CMakeFiles/crkformat.dir/crkformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 52%] Built target crkformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/featformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/exyzformat.dir/exyzformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dexyzformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/exyzformat.dir/exyzformat.cpp.o -MF CMakeFiles/exyzformat.dir/exyzformat.cpp.o.d -o CMakeFiles/exyzformat.dir/exyzformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/exyzformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/exyzformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/exyzformat.cpp: In member function ‘virtual bool OpenBabel::EXYZFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/exyzformat.cpp:124:19: warning: variable ‘virtualAtoms’ set but not used [-Wunused-but-set-variable]
  124 |     bool unitCell,virtualAtoms;
      |                   ^~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/MCDLformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/MCDLformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/MCDLformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/MCDLformat.so CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 53%] Built target MCDLformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/fhformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/featformat.dir/featformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfeatformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/featformat.dir/featformat.cpp.o -MF CMakeFiles/featformat.dir/featformat.cpp.o.d -o CMakeFiles/featformat.dir/featformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/featformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/featformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 52%] Linking CXX shared module ../../lib64/cofformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cofformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cofformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cofformat.so CMakeFiles/cofformat.dir/cofformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 53%] Built target cofformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/fingerprintformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/fastaformat.dir/fastaformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfastaformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fastaformat.dir/fastaformat.cpp.o -MF CMakeFiles/fastaformat.dir/fastaformat.cpp.o.d -o CMakeFiles/fastaformat.dir/fastaformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastaformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastaformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastaformat.cpp: In function ‘void OpenBabel::add_residue(OBMol*, OBResidue*, double, double, long unsigned int&, ResidueRecord*, int, OBAtom*&, bool, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastaformat.cpp:394:33: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  394 |             else if (atom_count > resBondFromOffset)
      |                      ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfastsearchformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o -MF CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o.d -o CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp: In member function ‘void OpenBabel::FastSearchFormat::AddPattern(std::vector<OpenBabel::OBMol>&, OpenBabel::OBMol, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp:690:11: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  690 |     if(idx>=patternMol.NumBonds())
      |        ~~~^~~~~~~~~~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 53%] Linking CXX shared module ../../lib64/featformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/featformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/featformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/featformat.so CMakeFiles/featformat.dir/featformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 53%] Built target featformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/fpsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 53%] Building CXX object src/formats/CMakeFiles/fhformat.dir/fhformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfhformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fhformat.dir/fhformat.cpp.o -MF CMakeFiles/fhformat.dir/fhformat.cpp.o.d -o CMakeFiles/fhformat.dir/fhformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fhformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fhformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 55%] Linking CXX shared module ../../lib64/fhformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fhformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fhformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fhformat.so CMakeFiles/fhformat.dir/fhformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 55%] Built target fhformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/freefracformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 53%] Linking CXX shared module ../../lib64/fastaformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fastaformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fastaformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fastaformat.so CMakeFiles/fastaformat.dir/fastaformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 55%] Built target fastaformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 53%] Linking CXX shared module ../../lib64/exyzformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/exyzformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/exyzformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/exyzformat.so CMakeFiles/exyzformat.dir/exyzformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/ghemicalformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/build
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 55%] Built target exyzformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/gromos96format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Ddlpolyformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o -MF CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o.d -o CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dlpolyformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dlpolyformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dlpolyformat.cpp: In member function ‘bool OpenBabel::DlpolyInputReader::ParseUnitCell(std::istream&, OpenBabel::OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dlpolyformat.cpp:152:10: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
  152 |     bool ok;
      |          ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 53%] Building CXX object src/formats/CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfingerprintformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o -MF CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o.d -o CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fingerprintformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fingerprintformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fingerprintformat.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 54%] Building CXX object src/formats/CMakeFiles/fpsformat.dir/fpsformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfpsformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fpsformat.dir/fpsformat.cpp.o -MF CMakeFiles/fpsformat.dir/fpsformat.cpp.o.d -o CMakeFiles/fpsformat.dir/fpsformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp: In member function ‘virtual bool OpenBabel::FPSFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp:152:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  152 |   for(unsigned i=0;i<(_nbits+31)/32;++i)
      |                    ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp: In member function ‘std::string OpenBabel::FPSFormat::getTimeStr()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp:175:10: warning: variable ‘time_res’ set but not used [-Wunused-but-set-variable]
  175 |   size_t time_res;                             /* Result of strftime                */
      |          ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/gromos96format.dir/gromos96format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgromos96format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gromos96format.dir/gromos96format.cpp.o -MF CMakeFiles/gromos96format.dir/gromos96format.cpp.o.d -o CMakeFiles/gromos96format.dir/gromos96format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gromos96format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gromos96format.cpp:54:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gromos96format.cpp: In member function ‘OpenBabel::GROMOS96Format::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gromos96format.cpp:144:20: warning: ‘strncpy’ specified bound 16 equals destination size [-Wstringop-truncation]
  144 |             strncpy(type_name,OBElements::GetSymbol(atom->GetAtomicNum()), 16);
      |                    ^
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 53%] Linking CXX shared module ../../lib64/fastsearchformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fastsearchformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fastsearchformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fastsearchformat.so CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 55%] Built target fastsearchformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/groformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 55%] Linking CXX shared module ../../lib64/fingerprintformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fingerprintformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fingerprintformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fingerprintformat.so CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 55%] Built target fingerprintformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/lmpdatformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dghemicalformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o -MF CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o.d -o CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/ghemicalformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/ghemicalformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 55%] Linking CXX shared module ../../lib64/fpsformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpsformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fpsformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fpsformat.so CMakeFiles/fpsformat.dir/fpsformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 55%] Linking CXX shared module ../../lib64/gromos96format.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gromos96format.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gromos96format.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gromos96format.so CMakeFiles/gromos96format.dir/gromos96format.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 57%] Built target fpsformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/lpmdformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 57%] Built target gromos96format
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/depend
/usr/bin/make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/mdffformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/freefracformat.dir/freefracformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfreefracformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/freefracformat.dir/freefracformat.cpp.o -MF CMakeFiles/freefracformat.dir/freefracformat.cpp.o.d -o CMakeFiles/freefracformat.dir/freefracformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/freefracformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/freefracformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/cifformat.dir/cifformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcifformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cifformat.dir/cifformat.cpp.o -MF CMakeFiles/cifformat.dir/cifformat.cpp.o.d -o CMakeFiles/cifformat.dir/cifformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp: In member function ‘void OpenBabel::CIFData::CalcMatrices()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:915:11: warning: variable ‘aa’ set but not used [-Wunused-but-set-variable]
  915 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:915:14: warning: variable ‘bb’ set but not used [-Wunused-but-set-variable]
  915 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:915:27: warning: variable ‘betaa’ set but not used [-Wunused-but-set-variable]
  915 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |                           ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:915:33: warning: variable ‘gammaa’ set but not used [-Wunused-but-set-variable]
  915 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |                                 ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp: In member function ‘virtual bool OpenBabel::CIFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:1693:15: warning: label ‘std’ defined but not used [-Wunused-label]
 1693 |               std:vector<int> uc;
      |               ^~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 57%] Linking CXX shared module ../../lib64/ghemicalformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/ghemicalformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/ghemicalformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/ghemicalformat.so CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 57%] Built target ghemicalformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/mmcifformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/build
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[ 57%] Linking CXX shared module ../../lib64/freefracformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/freefracformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/freefracformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/freefracformat.so CMakeFiles/freefracformat.dir/freefracformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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[ 55%] Linking CXX shared module ../../lib64/dlpolyformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/dlpolyformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/dlpolyformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/dlpolyformat.so CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/make  -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/mmodformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/moldenformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/groformat.dir/groformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgroformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/groformat.dir/groformat.cpp.o -MF CMakeFiles/groformat.dir/groformat.cpp.o.d -o CMakeFiles/groformat.dir/groformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp: In member function ‘OpenBabel::GROFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp:278:19: warning: ‘res’ may be used uninitialized [-Wmaybe-uninitialized]
  278 |       res->AddAtom(atom);
      |       ~~~~~~~~~~~~^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp:171:14: note: ‘res’ was declared here
  171 |   OBResidue* res;
      |              ^~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 56%] Building CXX object src/formats/CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dlmpdatformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o -MF CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o.d -o CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp: In member function ‘virtual bool OpenBabel::LMPDATFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp:277:20: warning: unused variable ‘length’ [-Wunused-variable]
  277 |             double length=cmax-cmin;
      |                    ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp:367:25: warning: unused variable ‘atomid’ [-Wunused-variable]
  367 |                     int atomid=5;
      |                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp:368:28: warning: unused variable ‘charge’ [-Wunused-variable]
  368 |                     double charge=0.5;
      |                            ^~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 58%] Building CXX object src/formats/CMakeFiles/mmodformat.dir/mmodformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmmodformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mmodformat.dir/mmodformat.cpp.o -MF CMakeFiles/mmodformat.dir/mmodformat.cpp.o.d -o CMakeFiles/mmodformat.dir/mmodformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mmodformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mmodformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 58%] Linking CXX shared module ../../lib64/groformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/groformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/groformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/groformat.so CMakeFiles/groformat.dir/groformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 58%] Built target groformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/mpdformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 58%] Linking CXX shared module ../../lib64/mmodformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mmodformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mmodformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mmodformat.so CMakeFiles/mmodformat.dir/mmodformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/mpqcformat.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 57%] Building CXX object src/formats/CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dlpmdformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o -MF CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o.d -o CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp: In member function ‘virtual bool OpenBabel::LpmdFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:196:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  196 |   if(int(headers.size()-1)!=tokens.size())
      |      ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:210:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  210 |   for(int i=1 ; i < headers.size() ; ++i) //the first element is HDR
      |                 ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:243:11: warning: unused variable ‘FX’ [-Wunused-variable]
  243 |    double FX = AX/mass; double FY = AY/mass; double FZ = AZ/mass;
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:243:32: warning: unused variable ‘FY’ [-Wunused-variable]
  243 |    double FX = AX/mass; double FY = AY/mass; double FZ = AZ/mass;
      |                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:243:53: warning: unused variable ‘FZ’ [-Wunused-variable]
  243 |    double FX = AX/mass; double FY = AY/mass; double FZ = AZ/mass;
      |                                                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp: In member function ‘virtual bool OpenBabel::LpmdFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:366:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  366 |   for(int i=0; i < mol.NumAtoms() ; ++i)
      |                ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:382:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  382 |  for(int i=0;i<mol.NumAtoms();++i)
      |              ~^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 58%] Building CXX object src/formats/CMakeFiles/moldenformat.dir/moldenformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmoldenformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/moldenformat.dir/moldenformat.cpp.o -MF CMakeFiles/moldenformat.dir/moldenformat.cpp.o.d -o CMakeFiles/moldenformat.dir/moldenformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/moldenformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/moldenformat.cpp:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/moldenformat.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 57%] Building CXX object src/formats/CMakeFiles/mdffformat.dir/mdffformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmdffformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mdffformat.dir/mdffformat.cpp.o -MF CMakeFiles/mdffformat.dir/mdffformat.cpp.o.d -o CMakeFiles/mdffformat.dir/mdffformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp: In member function ‘virtual bool OpenBabel::MDFFFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:249:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::atm_t_prop>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  249 |             for(int i = 0; i < atom_t_prop.size(); i++)
      |                            ~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:270:33: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  270 |       for(unsigned int j = 0; j < atom_t_prop[i].num_of_atoms; j++)
      |                               ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp: In member function ‘bool OpenBabel::aindx::operator<(const OpenBabel::aindx&) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:329:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  329 |       for(int i = 0; i < vs.size(); i++)
      |                      ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp: In member function ‘virtual bool OpenBabel::MDFFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:388:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  388 |       for(int i = 0; i < vs.size(); i++)
      |                      ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:443:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::pair<std::__cxx11::basic_string<char>, unsigned int> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  443 |     for (int i = 0; i < atypes_def.size(); i++)
      |                     ~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:450:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::pair<std::__cxx11::basic_string<char>, unsigned int> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  450 |     for (int i = 0; i < atypes_def.size(); i++)
      |                     ~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:500:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::pair<std::__cxx11::basic_string<char>, unsigned int> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  500 |       for(int j = 0; j < atypes_def.size(); j++)
      |                      ~~^~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 58%] Building CXX object src/formats/CMakeFiles/mpdformat.dir/mpdformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmpdformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mpdformat.dir/mpdformat.cpp.o -MF CMakeFiles/mpdformat.dir/mpdformat.cpp.o.d -o CMakeFiles/mpdformat.dir/mpdformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpdformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpdformat.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpdformat.cpp: In member function ‘virtual bool OpenBabel::MPDFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpdformat.cpp:210:42: warning: variable ‘idx_true’ set but not used [-Wunused-but-set-variable]
  210 |     bool xml_true=false, pre_true=false, idx_true=false;
      |                                          ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 58%] Linking CXX shared module ../../lib64/lmpdatformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/lmpdatformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/lmpdatformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/lmpdatformat.so CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 60%] Built target lmpdatformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/msiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 58%] Building CXX object src/formats/CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmpqcformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o -MF CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o.d -o CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpqcformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpqcformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 60%] Linking CXX shared module ../../lib64/mpdformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mpdformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mpdformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mpdformat.so CMakeFiles/mpdformat.dir/mpdformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 57%] Building CXX object src/formats/CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmmcifformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o -MF CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o.d -o CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mmcifformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mmcifformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 61%] Built target mpdformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/msmsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 61%] Linking CXX shared module ../../lib64/mpqcformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mpqcformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mpqcformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mpqcformat.so CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 61%] Built target mpqcformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/opendxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 59%] Linking CXX shared module ../../lib64/moldenformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldenformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/moldenformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/moldenformat.so CMakeFiles/moldenformat.dir/moldenformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 61%] Built target moldenformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/outformat.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 61%] Building CXX object src/formats/CMakeFiles/msmsformat.dir/msmsformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmsmsformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/msmsformat.dir/msmsformat.cpp.o -MF CMakeFiles/msmsformat.dir/msmsformat.cpp.o.d -o CMakeFiles/msmsformat.dir/msmsformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msmsformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msmsformat.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msmsformat.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 57%] Linking CXX shared module ../../lib64/cifformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cifformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cifformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cifformat.so CMakeFiles/cifformat.dir/cifformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 61%] Built target cifformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/pcmodelformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 60%] Building CXX object src/formats/CMakeFiles/msiformat.dir/msiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmsiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/msiformat.dir/msiformat.cpp.o -MF CMakeFiles/msiformat.dir/msiformat.cpp.o.d -o CMakeFiles/msiformat.dir/msiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp: In member function ‘virtual bool OpenBabel::MSIFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp:77:17: warning: unused variable ‘title’ [-Wunused-variable]
   77 |     const char* title = pConv->GetTitle();
      |                 ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp:193:28: warning: ‘atom’ may be used uninitialized [-Wmaybe-uninitialized]
  193 |             atom->SetVector(atof(vs[3].c_str()),
      |             ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
  194 |                             atof(vs[4].c_str()),
      |                             ~~~~~~~~~~~~~~~~~~~~
  195 |                             atof(vs[5].c_str()));
      |                             ~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp:109:13: note: ‘atom’ was declared here
  109 |     OBAtom *atom;
      |             ^~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 58%] Linking CXX shared module ../../lib64/lpmdformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/lpmdformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/lpmdformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/lpmdformat.so CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/make  -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/pdbqtformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/build
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[ 60%] Linking CXX shared module ../../lib64/mdffformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdffformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mdffformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mdffformat.so CMakeFiles/mdffformat.dir/mdffformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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[ 61%] Linking CXX shared module ../../lib64/msiformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/msiformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/msiformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/msiformat.so CMakeFiles/msiformat.dir/msiformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 61%] Built target msiformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/pqrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 61%] Building CXX object src/formats/CMakeFiles/opendxformat.dir/opendxformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dopendxformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/opendxformat.dir/opendxformat.cpp.o -MF CMakeFiles/opendxformat.dir/opendxformat.cpp.o.d -o CMakeFiles/opendxformat.dir/opendxformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 61%] Building CXX object src/formats/CMakeFiles/outformat.dir/outformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Doutformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/outformat.dir/outformat.cpp.o -MF CMakeFiles/outformat.dir/outformat.cpp.o.d -o CMakeFiles/outformat.dir/outformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/outformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/outformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 61%] Building CXX object src/formats/CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpcmodelformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o -MF CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o.d -o CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pcmodelformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pcmodelformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 61%] Building CXX object src/formats/CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpointcloudformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o -MF CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o.d -o CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp: In member function ‘virtual bool OpenBabel::PointCloudFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp:226:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  226 |     for( int j = 0; j < radius_mult_list.size(); j++ ) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/opendxformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/opendxformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/opendxformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/opendxformat.so CMakeFiles/opendxformat.dir/opendxformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Built target opendxformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mmcifformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mmcifformat.so CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pointcloudformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pointcloudformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pointcloudformat.so CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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[ 62%] Built target pointcloudformat
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/thermoformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pcmodelformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pcmodelformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pcmodelformat.so CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 61%] Building CXX object src/formats/CMakeFiles/posformat.dir/posformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dposformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/posformat.dir/posformat.cpp.o -MF CMakeFiles/posformat.dir/posformat.cpp.o.d -o CMakeFiles/posformat.dir/posformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/posformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/posformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Built target pcmodelformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/tinkerformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/posformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/posformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/posformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/posformat.so CMakeFiles/posformat.dir/posformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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[ 62%] Built target posformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/unichemformat.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/shelxformat.dir/shelxformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dshelxformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/shelxformat.dir/shelxformat.cpp.o -MF CMakeFiles/shelxformat.dir/shelxformat.cpp.o.d -o CMakeFiles/shelxformat.dir/shelxformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/shelxformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/shelxformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/matrix3x3.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/shelxformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 61%] Building CXX object src/formats/CMakeFiles/pqrformat.dir/pqrformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpqrformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pqrformat.dir/pqrformat.cpp.o -MF CMakeFiles/pqrformat.dir/pqrformat.cpp.o.d -o CMakeFiles/pqrformat.dir/pqrformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp: In function ‘double OpenBabel::parseAtomCharge(char*, OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:207:13: warning: unused variable ‘atom’ [-Wunused-variable]
  207 |     OBAtom *atom = mol.GetAtom(mol.NumAtoms());
      |             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp: In function ‘double OpenBabel::parseAtomRadius(char*, OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:222:13: warning: unused variable ‘atom’ [-Wunused-variable]
  222 |     OBAtom *atom = mol.GetAtom(mol.NumAtoms());
      |             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp: In member function ‘OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:511:58: warning: ‘*__snprintf_chkieee128’ output may be truncated before the last format character [-Wformat-truncation=]
  511 |             snprintf(type_name, sizeof(type_name), " %-3s", tmp);
      |                                                          ^
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘*__snprintfieee128’,
    inlined from ‘OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:511:21:
/usr/include/bits/stdio2.h:68:35: note: ‘*__snprintf_chkieee128’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp: In member function ‘OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:528:66: warning: ‘%-3s’ directive output may be truncated writing between 3 and 15 bytes into a region of size 9 [-Wformat-truncation=]
  528 |                     snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
      |                                                                  ^~~~   ~~~
In function ‘*__snprintfieee128’,
    inlined from ‘OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:528:29:
/usr/include/bits/stdio2.h:68:35: note: ‘*__snprintf_chkieee128’ output between 5 and 17 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/stlformat.dir/stlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dstlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/stlformat.dir/stlformat.cpp.o -MF CMakeFiles/stlformat.dir/stlformat.cpp.o.d -o CMakeFiles/stlformat.dir/stlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp: In function ‘void OpenBabel::map_sphere(std::vector<Triangle>&, vector3, double, uint16_t)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp:157:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::vector3>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  157 |     for( int i=0 ; i < points.size()-2; i++ ) {
      |                    ~~^~~~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/shelxformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/shelxformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/shelxformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/shelxformat.so CMakeFiles/shelxformat.dir/shelxformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Built target shelxformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/viewmolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/thermoformat.dir/thermoformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dthermoformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/thermoformat.dir/thermoformat.cpp.o -MF CMakeFiles/thermoformat.dir/thermoformat.cpp.o.d -o CMakeFiles/thermoformat.dir/thermoformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/thermoformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/thermoformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/thermoformat.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/unichemformat.dir/unichemformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dunichemformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/unichemformat.dir/unichemformat.cpp.o -MF CMakeFiles/unichemformat.dir/unichemformat.cpp.o.d -o CMakeFiles/unichemformat.dir/unichemformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/unichemformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/unichemformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/stlformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/stlformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/stlformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/stlformat.so CMakeFiles/stlformat.dir/stlformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 63%] Built target stlformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/wlnformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dtinkerformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o -MF CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o.d -o CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp: In function ‘int OpenBabel::SetMM3Type(OBAtom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp:415:11: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  415 |           if (b->GetHyb() == 2) // S=C
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp:416:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  416 |             countNeighborC++; break;
      |                               ^~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 63%] Linking CXX shared module ../../lib64/unichemformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/unichemformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/unichemformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/unichemformat.so CMakeFiles/unichemformat.dir/unichemformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/xedformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/thermoformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/thermoformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/thermoformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/thermoformat.so CMakeFiles/thermoformat.dir/thermoformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pqrformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pqrformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pqrformat.so CMakeFiles/pqrformat.dir/pqrformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dviewmolformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o -MF CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o.d -o CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/viewmolformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/viewmolformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 64%] Linking CXX shared module ../../lib64/tinkerformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/tinkerformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/tinkerformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/tinkerformat.so CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 65%] Built target tinkerformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/yasaraformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 64%] Building CXX object src/formats/CMakeFiles/wlnformat.dir/wlnformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dwlnformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/wlnformat.dir/wlnformat.cpp.o -MF CMakeFiles/wlnformat.dir/wlnformat.cpp.o.d -o CMakeFiles/wlnformat.dir/wlnformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wlnformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wlnformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wlnformat.cpp: In member function ‘virtual bool OpenBabel::WLNFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wlnformat.cpp:138:17: warning: unused variable ‘title’ [-Wunused-variable]
  138 |     const char* title = pConv->GetTitle();
      |                 ^~~~~
/usr/bin/make  -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/rxnformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 65%] Linking CXX shared module ../../lib64/viewmolformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/viewmolformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/viewmolformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/viewmolformat.so CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 65%] Built target viewmolformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawcdx.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 64%] Building CXX object src/formats/CMakeFiles/xedformat.dir/xedformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxedformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xedformat.dir/xedformat.cpp.o -MF CMakeFiles/xedformat.dir/xedformat.cpp.o.d -o CMakeFiles/xedformat.dir/xedformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xedformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xedformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 66%] Linking CXX shared module ../../lib64/xedformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xedformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/xedformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/xedformat.so CMakeFiles/xedformat.dir/xedformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 66%] Built target xedformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 61%] Building CXX object src/formats/CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpdbqtformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o -MF CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o.d -o CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In function ‘bool OpenBabel::OutputTree(OBConversion*, OBMol&, std::ostream&, std::map<unsigned int, branch>&, unsigned int, bool, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:581:20: warning: unused variable ‘child’ [-Wunused-variable]
  581 |       unsigned int child=i;
      |                    ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In function ‘bool OpenBabel::Separate_preserve_charges(OBMol&, std::vector<OBMol>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:797:9: warning: unused variable ‘fragments’ [-Wunused-variable]
  797 |     int fragments = 0;
      |         ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: At global scope:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:750:16: warning: ‘unsigned int OpenBabel::AtomsSoFar(const std::map<unsigned int, branch>&, unsigned int)’ defined but not used [-Wunused-function]
  750 |   unsigned int AtomsSoFar(const map <unsigned int, branch> & tree, unsigned int depth)
      |                ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In function ‘OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::basic_ostream<char, std::char_traits<char> >&, unsigned int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:345:52: warning: ‘*__snprintf_chkieee128’ output may be truncated before the last format character [-Wformat-truncation=]
  345 |       snprintf(type_name, sizeof(type_name), " %-3s", tmp);
      |                                                    ^
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘*__snprintfieee128’,
    inlined from ‘OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::basic_ostream<char, std::char_traits<char> >&, unsigned int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:345:15:
/usr/include/bits/stdio2.h:68:35: note: ‘*__snprintf_chkieee128’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In function ‘OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::basic_ostream<char, std::char_traits<char> >&, unsigned int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:363:60: warning: ‘*__snprintf_chkieee128’ output may be truncated before the last format character [-Wformat-truncation=]
  363 |           snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
      |                                                            ^
In function ‘*__snprintfieee128’,
    inlined from ‘OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::basic_ostream<char, std::char_traits<char> >&, unsigned int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:363:19:
/usr/include/bits/stdio2.h:68:35: note: ‘*__snprintf_chkieee128’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In member function ‘OpenBabel::PDBQTFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:923:22: warning: ‘strncpy’ specified bound 10 equals destination size [-Wstringop-truncation]
  923 |               strncpy(type_name, OBElements::GetSymbol(rotBondTable[rotBondId][bondAtomNum]->GetAtomicNum()), sizeof(type_name));
      |                      ^
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/chemkinformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 65%] Building CXX object src/formats/CMakeFiles/xyzformat.dir/xyzformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxyzformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xyzformat.dir/xyzformat.cpp.o -MF CMakeFiles/xyzformat.dir/xyzformat.cpp.o.d -o CMakeFiles/xyzformat.dir/xyzformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xyzformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xyzformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 65%] Building CXX object src/formats/CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dyasaraformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o -MF CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o.d -o CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp: In function ‘OpenBabel::mobatom* OpenBabel::mob_next(mobatom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:45:33: warning: dereferencing type-punned pointer will break strict-aliasing rules [-Wstrict-aliasing]
   45 | #define mem_inc(POINTER,INC) (*((char**)&(POINTER))+=(INC))
      |                                ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:227:3: note: in expansion of macro ‘mem_inc’
  227 | { mem_inc(atom,mob_atomsize(atom));
      |   ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp: In member function ‘virtual bool OpenBabel::YOBFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:374:21: warning: variable ‘reslen’ set but not used [-Wunused-but-set-variable]
  374 |   int /*samenames,*/reslen,charged;
      |                     ^~~~~~
In file included from /usr/include/string.h:548,
                 from /usr/include/c++/15/cstring:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:29:
In function ‘memcpy’,
    inlined from ‘OpenBabel::YOBFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:440:82:
/usr/include/bits/string_fortified.h:29:33: warning: ‘memcpy’ accessing 4 bytes at offsets 0 and 1 overlaps 3 bytes at offset 1 [-Wrestrict]
   29 |   return __builtin___memcpy_chk (__dest, __src, __len,
      |          ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
   30 |                                  __glibc_objsize0 (__dest));
      |                                  ~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp: In member function ‘OpenBabel::YOBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:572:36: warning: ‘*__snprintf_chkieee128’ output truncated before the last format character [-Wformat-truncation=]
  572 |       snprintf(&buffer[12], 4, "%4d",res->GetNum()); }
      |                                    ^
In file included from /usr/include/stdio.h:970,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘*__snprintfieee128’,
    inlined from ‘OpenBabel::YOBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:572:15:
/usr/include/bits/stdio2.h:68:35: note: ‘*__snprintf_chkieee128’ output between 5 and 12 bytes into a destination of size 4
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp: In function ‘OpenBabel::mob_getid(OpenBabel::atomid*, OpenBabel::mobatom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:245:26: warning: array subscript 4 is above array bounds of ‘int32[4]’ [-Warray-bounds=]
  245 |   { inscodealtloc=int32le(atom->link[idpos++]);
      |                   ~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:192:9: note: while referencing ‘link’
  192 |   int32 link[4]; };
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:253:60: warning: array subscript 4 is above array bounds of ‘int32[4]’ [-Warray-bounds=]
  253 |   if (flags&MOB_SEGMENTFLAG) id->segment=atom->link[idpos++];
      |                                          ~~~~~~~~~~~~~~~~~~^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:192:9: note: while referencing ‘link’
  192 |   int32 link[4]; };
      |         ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/smileyformat.dir/smileyformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dsmileyformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/smileyformat.dir/smileyformat.cpp.o -MF CMakeFiles/smileyformat.dir/smileyformat.cpp.o.d -o CMakeFiles/smileyformat.dir/smileyformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp: In member function ‘void OpenBabel::OpenBabelCallback::setChiral(int, Smiley::Chirality, const std::vector<int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘NotChiral’ not handled in switch [-Wswitch]
  158 |       switch (chirality) {
      |              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TH1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TH2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘AL1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘AL2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘SP1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘SP2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘SP3’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB3’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB4’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB5’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB6’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB7’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB8’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB9’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB10’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB11’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB12’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB13’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB14’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB15’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB16’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB17’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB18’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB19’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB20’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH3’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH4’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH5’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH6’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH7’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH8’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH9’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH10’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH11’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH12’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH13’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH14’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH15’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH16’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH17’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH18’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH19’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH20’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH21’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH22’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH23’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH24’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH25’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH26’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH27’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH28’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH29’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH30’ not handled in switch [-Wswitch]
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h: In instantiation of ‘void Smiley::Parser<Callback>::processStereochemistry() [with Callback = OpenBabel::OpenBabelCallback]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2707:9:   required from ‘void Smiley::Parser<Callback>::parse(const std::string&) [with Callback = OpenBabel::OpenBabelCallback; std::string = std::__cxx11::basic_string<char>]’
 2707 |         processStereochemistry();
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:370:19:   required from here
  370 |       parser.parse(smiles);
      |       ~~~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2642:43: warning: comparison of integer expressions of different signedness: ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 2642 |           if (m_chiralInfo[i].nbrs.size() != expectedValence && m_exceptions & InvalidChiralValence)
      |               ~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h: In instantiation of ‘Smiley::Parser<Callback>::RingBondInfo::RingBondInfo(int, int, bool, bool, bool, std::size_t) [with Callback = OpenBabel::OpenBabelCallback; std::size_t = long unsigned int]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2409:41:   required from ‘void Smiley::Parser<Callback>::processRingBond(int, std::size_t) [with Callback = OpenBabel::OpenBabelCallback; std::size_t = long unsigned int]’
 2409 |           m_ringBonds[m_prev].push_back(RingBondInfo(rnum, m_bondOrder, m_isUp, m_isDown, m_explicitBond, pos));
      |                                         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2429:11:   required from ‘void Smiley::Parser<Callback>::parseRingBond() [with Callback = OpenBabel::OpenBabelCallback]’
 2429 |           processRingBond(m_str[m_pos] - '0', m_pos);
      |           ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2507:13:   required from ‘void Smiley::Parser<Callback>::parseChain() [with Callback = OpenBabel::OpenBabelCallback]’
 2507 |             parseRingBond();
      |             ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2698:9:   required from ‘void Smiley::Parser<Callback>::parse(const std::string&) [with Callback = OpenBabel::OpenBabelCallback; std::string = std::__cxx11::basic_string<char>]’
 2698 |         parseChain();
      |         ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:370:19:   required from here
  370 |       parser.parse(smiles);
      |       ~~~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:986:14: warning: ‘Smiley::Parser<OpenBabel::OpenBabelCallback>::RingBondInfo::isExplicit’ will be initialized after [-Wreorder]
  986 |         bool isExplicit;
      |              ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:981:21: warning:   ‘std::size_t Smiley::Parser<OpenBabel::OpenBabelCallback>::RingBondInfo::pos’ [-Wreorder]
  981 |         std::size_t pos;
      |                     ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:974:9: warning:   when initialized here [-Wreorder]
  974 |         RingBondInfo(int number_, int order_, bool isUp_, bool isDown_,
      |         ^~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 65%] Building CXX object src/formats/CMakeFiles/rxnformat.dir/rxnformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Drxnformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/rxnformat.dir/rxnformat.cpp.o -MF CMakeFiles/rxnformat.dir/rxnformat.cpp.o.d -o CMakeFiles/rxnformat.dir/rxnformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp:18:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp: In member function ‘virtual bool OpenBabel::RXNFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp:196:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  196 |       for (int i=0; i<num_components; i++)
      |                     ~^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 66%] Linking CXX shared module ../../lib64/yasaraformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/yasaraformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/yasaraformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/yasaraformat.so CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rxnformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/rxnformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/rxnformat.so CMakeFiles/rxnformat.dir/rxnformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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[ 66%] Linking CXX shared module ../../lib64/xyzformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xyzformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/xyzformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/xyzformat.so CMakeFiles/xyzformat.dir/xyzformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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/usr/bin/make  -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/png2format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 64%] Building CXX object src/formats/CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dwlnformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o -MF CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o.d -o CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wln-nextmove.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 68%] Building CXX object src/formats/CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Drinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o -MF CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o.d -o CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rinchiformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rinchiformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rinchiformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 68%] Building CXX object src/formats/CMakeFiles/png2format.dir/png2format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpng2format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/png2format.dir/png2format.cpp.o -MF CMakeFiles/png2format.dir/png2format.cpp.o.d -o CMakeFiles/png2format.dir/png2format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp: In member function ‘virtual bool OpenBabel::PNG2Format::WriteChemObject(OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp:105:42: warning: comparison of integer expressions of different signedness: ‘std::vector<OpenBabel::OBBase*>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  105 |   bool nomore = _nmax && (_objects.size()==_nmax);
      |                           ~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp:135:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBBase*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  135 |       pConv->SetLast(n==_objects.size());
      |                      ~^~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 66%] Linking CXX shared module ../../lib64/pdbqtformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdbqtformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pdbqtformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pdbqtformat.so CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 68%] Built target pdbqtformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/cdxmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 68%] Building CXX object src/formats/CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Drsmiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o -MF CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o.d -o CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 66%] Building CXX object src/formats/CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemdrawcdx_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o -MF CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o.d -o CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp: In member function ‘bool OpenBabel::ChemDrawBinaryXFormat::DoReaction(OpenBabel::CDXReader&, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:338:25: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  338 |       for(unsigned i=0;i<cdxr.GetLen()/4;++i)//for each reactant id
      |                        ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:352:25: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  352 |       for(unsigned i=0;i<cdxr.GetLen()/4;++i)//for each product id
      |                        ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp: In member function ‘bool OpenBabel::ChemDrawBinaryXFormat::DoFragment(OpenBabel::CDXReader&, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:449:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  449 |   for(int idx=1; idx<=pmol->NumAtoms();++idx)
      |                  ~~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp: In member function ‘bool OpenBabel::ChemDrawBinaryXFormat::DoFragmentImpl(OpenBabel::CDXReader&, OpenBabel::OBMol*, std::map<int, unsigned int>&, std::map<OpenBabel::OBBond*, OpenBabel::OBStereo::BondDirection>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:477:27: warning: variable ‘hasElement’ set but not used [-Wunused-but-set-variable]
  477 |       bool isAlias=false, hasElement=false;
      |                           ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:621:17: warning: ‘bgnIdx’ may be used uninitialized [-Wmaybe-uninitialized]
  621 |       if(!order || !bgnIdx || !endIdx)
      |          ~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:580:20: note: ‘bgnIdx’ was declared here
  580 |       int order=1, bgnIdx, endIdx ;
      |                    ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:621:28: warning: ‘endIdx’ may be used uninitialized [-Wmaybe-uninitialized]
  621 |       if(!order || !bgnIdx || !endIdx)
      |          ~~~~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:580:28: note: ‘endIdx’ was declared here
  580 |       int order=1, bgnIdx, endIdx ;
      |                            ^~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 67%] Linking CXX shared module ../../lib64/smileyformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/smileyformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/smileyformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/smileyformat.so CMakeFiles/smileyformat.dir/smileyformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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[ 69%] Built target smileyformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/cmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 68%] Building CXX object src/formats/CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpng2format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o -MF CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o.d -o CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/cairopainter.cpp
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[ 68%] Linking CXX shared module ../../lib64/rinchiformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rinchiformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/rinchiformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/rinchiformat.so CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/make  -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/pubchem.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 68%] Linking CXX shared module ../../lib64/wlnformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/wlnformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/wlnformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/wlnformat.so CMakeFiles/wlnformat.dir/wlnformat.cpp.o "CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o"  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 70%] Built target wlnformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/xmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 68%] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcdxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o -MF CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o.d -o CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cdxmlformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cdxmlformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 69%] Linking CXX shared module ../../lib64/rsmiformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rsmiformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/rsmiformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/rsmiformat.so CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 71%] Built target rsmiformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/cmlreactformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 70%] Linking CXX shared module ../../lib64/png2format.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/png2format.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/png2format.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/png2format.so CMakeFiles/png2format.dir/png2format.cpp.o CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 71%] Built target png2format
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 71%] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o -MF CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o.d -o CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xmlformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xmlformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 70%] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/pubchem.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpubchem_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pubchem.dir/xml/pubchem.cpp.o -MF CMakeFiles/pubchem.dir/xml/pubchem.cpp.o.d -o CMakeFiles/pubchem.dir/xml/pubchem.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/pubchem.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/pubchem.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 69%] Linking CXX shared module ../../lib64/chemdrawcdx.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdrawcdx.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/chemdrawcdx.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemdrawcdx.so CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 72%] Built target chemdrawcdx
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/chemdoodlejsonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 66%] Building CXX object src/formats/CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemkinformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o -MF CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o.d -o CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:18:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp: In member function ‘bool OpenBabel::ChemKinFormat::ReadReactionQualifierLines(std::istream&, OpenBabel::OBReaction*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:640:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  640 |       for(int i=0;i<toks.size()-1;++i)//also incremented in body to retrieve id,val pairs
      |                   ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp: In member function ‘bool OpenBabel::ChemKinFormat::WriteReactionLine(OpenBabel::OBReaction*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:911:11: warning: enumeration value ‘ARRHENIUS’ not handled in switch [-Wswitch]
  911 |     switch(pRD->ReactionType)
      |           ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:911:11: warning: enumeration value ‘THREEBODY’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:990:11: warning: enumeration value ‘ARRHENIUS’ not handled in switch [-Wswitch]
  990 |     switch(pRD->ReactionType)
      |           ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:990:11: warning: enumeration value ‘SRI’ not handled in switch [-Wswitch]
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 71%] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcdxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o -MF CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o.d -o CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 71%] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcmlreactformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o -MF CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o.d -o CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/pubchemjsonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 71%] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xmlformat.dir/xml/xml.cpp.o -MF CMakeFiles/xmlformat.dir/xml/xml.cpp.o.d -o CMakeFiles/xmlformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 72%] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpubchem_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pubchem.dir/xml/xml.cpp.o -MF CMakeFiles/pubchem.dir/xml/xml.cpp.o.d -o CMakeFiles/pubchem.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 74%] Linking CXX shared module ../../lib64/cdxmlformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cdxmlformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cdxmlformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cdxmlformat.so CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 74%] Built target cdxmlformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obabel.dir/build.make tools/CMakeFiles/obabel.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools/CMakeFiles/obabel.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xmlformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/xmlformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/xmlformat.so CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o CMakeFiles/xmlformat.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 74%] Built target xmlformat
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/usr/bin/make  -f tools/CMakeFiles/obconformer.dir/build.make tools/CMakeFiles/obconformer.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools/CMakeFiles/obconformer.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obconformer.dir/build.make tools/CMakeFiles/obconformer.dir/build
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[ 74%] Linking CXX shared module ../../lib64/pubchem.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pubchem.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pubchem.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pubchem.so CMakeFiles/pubchem.dir/xml/pubchem.cpp.o CMakeFiles/pubchem.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 74%] Built target pubchem
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obenergy.dir/build.make tools/CMakeFiles/obenergy.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools/CMakeFiles/obenergy.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obenergy.dir/build.make tools/CMakeFiles/obenergy.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 74%] Building CXX object tools/CMakeFiles/obabel.dir/obabel.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obabel.dir/obabel.cpp.o -MF CMakeFiles/obabel.dir/obabel.cpp.o.d -o CMakeFiles/obabel.dir/obabel.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obabel.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obabel.cpp:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obabel.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 74%] Building CXX object tools/CMakeFiles/obconformer.dir/obconformer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obconformer.dir/obconformer.cpp.o -MF CMakeFiles/obconformer.dir/obconformer.cpp.o.d -o CMakeFiles/obconformer.dir/obconformer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obconformer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obconformer.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 71%] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcmlreactformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o -MF CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o.d -o CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp: In member function ‘virtual bool OpenBabel::CMLReactFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:520:12: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  520 |   for(i=0;i<pReact->NumReactants();i++)
      |           ~^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:542:12: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  542 |   for(i=0;i<pReact->NumProducts();i++)
      |           ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp: In member function ‘bool OpenBabel::CMLReactFormat::WriteRateData(OpenBabel::OBReaction*, xmlChar*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:706:9: warning: enumeration value ‘ARRHENIUS’ not handled in switch [-Wswitch]
  706 |   switch(pRD->ReactionType)
      |         ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:734:9: warning: enumeration value ‘ARRHENIUS’ not handled in switch [-Wswitch]
  734 |   switch(pRD->ReactionType)
      |         ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:734:9: warning: enumeration value ‘SRI’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp: In member function ‘void OpenBabel::CMLReactFormat::WriteMetadataList(OpenBabel::OBReaction&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:773:26: warning: unused variable ‘C_TITLE’ [-Wunused-variable]
  773 |     static const xmlChar C_TITLE[]        = "title";
      |                          ^~~~~~~
In file included from /usr/include/c++/15/string:56,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:45:
In member function ‘std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >::_M_check(unsigned long, char const*) const’,
    inlined from ‘std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >::substr(unsigned long, unsigned long) const’ at /usr/include/c++/15/bits/basic_string.h:3238:52,
    inlined from ‘OpenBabel::CMLReactFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:616:24:
/usr/include/c++/15/bits/basic_string.h:398:9: warning: ‘mollistPos’ may be used uninitialized [-Wmaybe-uninitialized]
  398 |         if (__pos > this->size())
      |         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp: In member function ‘OpenBabel::CMLReactFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:607:38: note: ‘mollistPos’ was declared here
  607 |       string::size_type reaclistPos, mollistPos, footerPos;
      |                                      ^~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 75%] Building CXX object tools/CMakeFiles/obenergy.dir/obenergy.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obenergy.dir/obenergy.cpp.o -MF CMakeFiles/obenergy.dir/obenergy.cpp.o.d -o CMakeFiles/obenergy.dir/obenergy.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obenergy.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obenergy.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obenergy.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
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[ 76%] Linking CXX executable ../bin/obconformer
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obconformer.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obconformer.dir/link.d CMakeFiles/obconformer.dir/obconformer.cpp.o -o ../bin/obconformer  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools/CMakeFiles/obfit.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemkinformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/chemkinformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemkinformat.so CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 77%] Built target chemkinformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obminimize.dir/build.make tools/CMakeFiles/obminimize.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools/CMakeFiles/obminimize.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obminimize.dir/build.make tools/CMakeFiles/obminimize.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 77%] Building CXX object tools/CMakeFiles/obgen.dir/obgen.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obgen.dir/obgen.cpp.o -MF CMakeFiles/obgen.dir/obgen.cpp.o.d -o CMakeFiles/obgen.dir/obgen.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgen.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgen.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgen.cpp:30:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 70%] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o -MF CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o.d -o CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/matrix3x3.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘bool OpenBabel::CMLFormat::DoHCounts()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:967:25: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  967 |           if(it->second == atom->GetIdx())
      |              ~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘void OpenBabel::CMLFormat::WriteMetadataList(OpenBabel::OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:1269:26: warning: unused variable ‘C_TITLE’ [-Wunused-variable]
 1269 |     static const xmlChar C_TITLE[]        = "title";
      |                          ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘std::string OpenBabel::CMLFormat::getTimestr()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:1319:12: warning: variable ‘time_res’ set but not used [-Wunused-but-set-variable]
 1319 |     size_t time_res;                             /* Result of strftime                */
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘virtual bool OpenBabel::CMLFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:1366:26: warning: unused variable ‘C_DESCRIPTION’ [-Wunused-variable]
 1366 |     static const xmlChar C_DESCRIPTION[]      = "description";
      |                          ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘bool OpenBabel::CMLFormat::WriteVibrationData(OpenBabel::OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:2308:26: warning: unused variable ‘C_SCALAR’ [-Wunused-variable]
 2308 |     static const xmlChar C_SCALAR[]       = "scalar";
      |                          ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 77%] Building CXX object tools/CMakeFiles/obfit.dir/obfit.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obfit.dir/obfit.cpp.o -MF CMakeFiles/obfit.dir/obfit.cpp.o.d -o CMakeFiles/obfit.dir/obfit.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfit.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfit.cpp:37:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfit.cpp:35:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 77%] Building CXX object tools/CMakeFiles/obminimize.dir/obminimize.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obminimize.dir/obminimize.cpp.o -MF CMakeFiles/obminimize.dir/obminimize.cpp.o.d -o CMakeFiles/obminimize.dir/obminimize.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obminimize.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obminimize.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obminimize.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 77%] Building CXX object tools/CMakeFiles/obfitall.dir/obfitall.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obfitall.dir/obfitall.cpp.o -MF CMakeFiles/obfitall.dir/obfitall.cpp.o.d -o CMakeFiles/obfitall.dir/obfitall.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp:35:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp: In function ‘int main(int, char**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp:219:18: warning: unused variable ‘best_rmsd’ [-Wunused-variable]
  219 |           double best_rmsd = 999.999;
      |                  ^~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 77%] Linking CXX executable ../bin/obgen
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgen.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obgen.dir/link.d CMakeFiles/obgen.dir/obgen.cpp.o -o ../bin/obgen  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 79%] Built target obgen
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obmm.dir/build.make tools/CMakeFiles/obmm.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools/CMakeFiles/obmm.dir/DependInfo.cmake "--color="
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/usr/bin/make  -f tools/CMakeFiles/obmm.dir/build.make tools/CMakeFiles/obmm.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 72%] Building CXX object src/formats/CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemdoodlejsonformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o -MF CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o.d -o CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_tree.h:67,
                 from /usr/include/c++/15/map:64,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp: In member function ‘virtual bool OpenBabel::ChemDoodleJSONFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp:115:30: warning: comparison of integer expressions of different signedness: ‘rapidjson::SizeType’ {aka ‘unsigned int’} and ‘int’ [-Wsign-compare]
  115 |       if (inRoot["m"].Size() > currentMolIndex) {
      |           ~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
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[ 78%] Linking CXX executable ../bin/obminimize
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obminimize.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obminimize.dir/link.d CMakeFiles/obminimize.dir/obminimize.cpp.o -o ../bin/obminimize  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obfit.dir/link.d CMakeFiles/obfit.dir/obfit.cpp.o -o ../bin/obfit  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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[ 77%] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cmlformat.dir/xml/xml.cpp.o -MF CMakeFiles/cmlformat.dir/xml/xml.cpp.o.d -o CMakeFiles/cmlformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 77%] Linking CXX shared module ../../lib64/cmlreactformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cmlreactformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cmlreactformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cmlreactformat.so CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 80%] Built target cmlreactformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obrotate.dir/build.make tools/CMakeFiles/obrotate.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools/CMakeFiles/obrotate.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obrotate.dir/build.make tools/CMakeFiles/obrotate.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 79%] Building CXX object tools/CMakeFiles/obmm.dir/obmm.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obmm.dir/obmm.cpp.o -MF CMakeFiles/obmm.dir/obmm.cpp.o.d -o CMakeFiles/obmm.dir/obmm.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obmm.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obmm.cpp:58:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obmm.cpp:54:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 79%] Building CXX object tools/CMakeFiles/obprobe.dir/obprobe.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obprobe.dir/obprobe.cpp.o -MF CMakeFiles/obprobe.dir/obprobe.cpp.o.d -o CMakeFiles/obprobe.dir/obprobe.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprobe.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprobe.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprobe.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprobe.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 80%] Building CXX object tools/CMakeFiles/obprop.dir/obprop.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obprop.dir/obprop.cpp.o -MF CMakeFiles/obprop.dir/obprop.cpp.o.d -o CMakeFiles/obprop.dir/obprop.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprop.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprop.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprop.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 80%] Linking CXX executable ../bin/obmm
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obmm.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obmm.dir/link.d CMakeFiles/obmm.dir/obmm.cpp.o -o ../bin/obmm  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 80%] Building CXX object tools/CMakeFiles/obrotamer.dir/obrotamer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obrotamer.dir/obrotamer.cpp.o -MF CMakeFiles/obrotamer.dir/obrotamer.cpp.o.d -o CMakeFiles/obrotamer.dir/obrotamer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotamer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotamer.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotamer.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotamer.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/../src/rand.cpp:428:15: warning: ‘void OpenBabel::GenerateSequence(unsigned int, unsigned int, unsigned int, unsigned int)’ defined but not used [-Wunused-function]
  428 |   static void GenerateSequence( unsigned int p, unsigned int m,
      |               ^~~~~~~~~~~~~~~~
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 80%] Built target obmm
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/usr/bin/make  -f tools/CMakeFiles/obsym.dir/build.make tools/CMakeFiles/obsym.dir/depend
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[ 80%] Linking CXX executable ../bin/obprobe
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obprobe.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obprobe.dir/link.d CMakeFiles/obprobe.dir/obprobe.cpp.o -o ../bin/obprobe  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/make  -f tools/CMakeFiles/obtautomer.dir/build.make tools/CMakeFiles/obtautomer.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools/CMakeFiles/obtautomer.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 80%] Building CXX object tools/CMakeFiles/obrotate.dir/obrotate.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obrotate.dir/obrotate.cpp.o -MF CMakeFiles/obrotate.dir/obrotate.cpp.o.d -o CMakeFiles/obrotate.dir/obrotate.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:38:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp: In function ‘main’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:175:28: warning: ‘a2’ may be used uninitialized [-Wmaybe-uninitialized]
  175 |       if ( !a2->IsConnected(a3) ) {
      |             ~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:52:16: note: ‘a2’ was declared here
   52 |   OBAtom *a1, *a2, *a3, *a4;
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:175:28: warning: ‘a3’ may be used uninitialized [-Wmaybe-uninitialized]
  175 |       if ( !a2->IsConnected(a3) ) {
      |             ~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:52:21: note: ‘a3’ was declared here
   52 |   OBAtom *a1, *a2, *a3, *a4;
      |                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:181:23: warning: ‘a4’ may be used uninitialized [-Wmaybe-uninitialized]
  181 |         mol.SetTorsion(a1, a2, a3, a4, angle * DEG_TO_RAD);
      |         ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:52:26: note: ‘a4’ was declared here
   52 |   OBAtom *a1, *a2, *a3, *a4;
      |                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:181:23: warning: ‘a1’ may be used uninitialized [-Wmaybe-uninitialized]
  181 |         mol.SetTorsion(a1, a2, a3, a4, angle * DEG_TO_RAD);
      |         ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:52:11: note: ‘a1’ was declared here
   52 |   OBAtom *a1, *a2, *a3, *a4;
      |           ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 80%] Linking CXX executable ../bin/obprop
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obprop.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obprop.dir/link.d CMakeFiles/obprop.dir/obprop.cpp.o -o ../bin/obprop  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools/CMakeFiles/obthermo.dir/DependInfo.cmake "--color="
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[ 81%] Linking CXX executable ../bin/obrotamer
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrotamer.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obrotamer.dir/link.d CMakeFiles/obrotamer.dir/obrotamer.cpp.o -o ../bin/obrotamer  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 82%] Built target obrotamer
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obdistgen.dir/build.make tools/CMakeFiles/obdistgen.dir/depend
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[ 82%] Building CXX object tools/CMakeFiles/obsym.dir/obsym.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obsym.dir/obsym.cpp.o -MF CMakeFiles/obsym.dir/obsym.cpp.o.d -o CMakeFiles/obsym.dir/obsym.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obsym.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obsym.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obsym.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools/CMakeFiles/obdistgen.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obdistgen.dir/build.make tools/CMakeFiles/obdistgen.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 82%] Linking CXX executable ../bin/obsym
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obsym.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obsym.dir/link.d CMakeFiles/obsym.dir/obsym.cpp.o -o ../bin/obsym  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 82%] Built target obsym
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools/CMakeFiles/obgrep.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 82%] Linking CXX executable ../bin/obrotate
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrotate.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obrotate.dir/link.d CMakeFiles/obrotate.dir/obrotate.cpp.o -o ../bin/obrotate  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 82%] Built target obrotate
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obspectrophore.dir/build.make tools/CMakeFiles/obspectrophore.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 74%] Building CXX object src/formats/CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpubchemjsonformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o -MF CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o.d -o CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_tree.h:67,
                 from /usr/include/c++/15/map:64,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp: In member function ‘virtual bool OpenBabel::PubChemJSONFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp:121:41: warning: comparison of integer expressions of different signedness: ‘rapidjson::SizeType’ {aka ‘unsigned int’} and ‘int’ [-Wsign-compare]
  121 |       if (inRoot["PC_Compounds"].Size() > currentMolIndex) {
      |           ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp:131:42: warning: comparison of integer expressions of different signedness: ‘rapidjson::SizeType’ {aka ‘unsigned int’} and ‘int’ [-Wsign-compare]
  131 |       if (inRoot["PC_Substances"].Size() > currentMolIndex) {
      |           ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools/CMakeFiles/obspectrophore.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obspectrophore.dir/build.make tools/CMakeFiles/obspectrophore.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 82%] Building CXX object tools/CMakeFiles/obtautomer.dir/obtautomer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obtautomer.dir/obtautomer.cpp.o -MF CMakeFiles/obtautomer.dir/obtautomer.cpp.o.d -o CMakeFiles/obtautomer.dir/obtautomer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obtautomer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obtautomer.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obtautomer.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 82%] Linking CXX executable ../bin/obtautomer
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obtautomer.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obtautomer.dir/link.d CMakeFiles/obtautomer.dir/obtautomer.cpp.o -o ../bin/obtautomer  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 82%] Built target obtautomer
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obrms.dir/build.make tools/CMakeFiles/obrms.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools/CMakeFiles/obrms.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obrms.dir/build.make tools/CMakeFiles/obrms.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 82%] Building CXX object tools/CMakeFiles/obthermo.dir/obthermo.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obthermo.dir/obthermo.cpp.o -MF CMakeFiles/obthermo.dir/obthermo.cpp.o.d -o CMakeFiles/obthermo.dir/obthermo.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp: In function ‘int main(int, char**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp:159:18: warning: unused variable ‘Rgas’ [-Wunused-variable]
  159 |           double Rgas  = 1.9872041; // cal/mol K
      |                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp:42:10: warning: variable ‘bKJ’ set but not used [-Wunused-but-set-variable]
   42 |   bool   bKJ   = false;
      |          ^~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 82%] Building CXX object tools/CMakeFiles/obgrep.dir/obgrep.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obgrep.dir/obgrep.cpp.o -MF CMakeFiles/obgrep.dir/obgrep.cpp.o.d -o CMakeFiles/obgrep.dir/obgrep.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgrep.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgrep.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgrep.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 83%] Linking CXX executable ../bin/obgrep
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgrep.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obgrep.dir/link.d CMakeFiles/obgrep.dir/obgrep.cpp.o -o ../bin/obgrep  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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[ 83%] Built target obgrep
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/GUI/CMakeFiles/obgui.dir/build.make src/GUI/CMakeFiles/obgui.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/GUI /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/GUI/CMakeFiles/obgui.dir/DependInfo.cmake "--color="
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/usr/bin/make  -f src/GUI/CMakeFiles/obgui.dir/build.make src/GUI/CMakeFiles/obgui.dir/build
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obthermo.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obthermo.dir/link.d CMakeFiles/obthermo.dir/obthermo.cpp.o -o ../bin/obthermo  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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[ 84%] Built target obthermo
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test/CMakeFiles/test_runner.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdoodlejsonformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/chemdoodlejsonformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemdoodlejsonformat.so CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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[ 84%] Built target chemdoodlejsonformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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[ 84%] Building CXX object test/CMakeFiles/test_runner.dir/test_runner.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/test_runner.cpp.o -MF CMakeFiles/test_runner.dir/test_runner.cpp.o.d -o CMakeFiles/test_runner.dir/test_runner.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test/test_runner.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test/CMakeFiles/test_inchiwrite.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 82%] Building CXX object tools/CMakeFiles/obdistgen.dir/obdistgen.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obdistgen.dir/obdistgen.cpp.o -MF CMakeFiles/obdistgen.dir/obdistgen.cpp.o.d -o CMakeFiles/obdistgen.dir/obdistgen.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp: In function ‘int main(int, char**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp:108:34: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  108 |       for (unsigned int n = 0; n < mol.NumConformers();++n)
      |                                ~~^~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 84%] Linking CXX executable ../bin/obdistgen
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obdistgen.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obdistgen.dir/link.d CMakeFiles/obdistgen.dir/obdistgen.cpp.o -o ../bin/obdistgen  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 85%] Built target obdistgen
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test/CMakeFiles/roundtrip.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 85%] Building CXX object test/CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o -MF CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o.d -o CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchiwrite.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchiwrite.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchiwrite.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 82%] Building CXX object tools/CMakeFiles/obrms.dir/obrms.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obrms.dir/obrms.cpp.o -MF CMakeFiles/obrms.dir/obrms.cpp.o.d -o CMakeFiles/obrms.dir/obrms.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp:31:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp: In function ‘int main(int, char**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp:219:14: warning: unused variable ‘help’ [-Wunused-variable]
  219 |         bool help = false;
      |              ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 82%] Building CXX object tools/CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -MF CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o.d -o CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obspectrophore.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obspectrophore.cpp:10:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obspectrophore.cpp:1:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 85%] Building CXX object test/CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o -MF CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o.d -o CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/getinchi.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 85%] Linking CXX executable ../bin/test_inchiwrite
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/test_inchiwrite.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/test_inchiwrite.dir/link.d CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o -o ../bin/test_inchiwrite  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 85%] Built target test_inchiwrite
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 85%] Building CXX object test/CMakeFiles/roundtrip.dir/roundtrip.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/roundtrip.dir/roundtrip.cpp.o -MF CMakeFiles/roundtrip.dir/roundtrip.cpp.o.d -o CMakeFiles/roundtrip.dir/roundtrip.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/roundtrip.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/roundtrip.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/roundtrip.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 85%] Linking CXX executable ../bin/obrms
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrms.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obrms.dir/link.d CMakeFiles/obrms.dir/obrms.cpp.o -o ../bin/obrms  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 86%] Built target obrms
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/usr/bin/make  -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/depend
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[ 86%] Linking CXX executable ../bin/roundtrip
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/roundtrip.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/roundtrip.dir/link.d CMakeFiles/roundtrip.dir/roundtrip.cpp.o -o ../bin/roundtrip  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 86%] Built target roundtrip
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_ruby.dir/build.make scripts/CMakeFiles/bindings_ruby.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 80%] Linking CXX shared module ../../lib64/cmlformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cmlformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cmlformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cmlformat.so CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o CMakeFiles/cmlformat.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 86%] Built target cmlformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 85%] Linking CXX executable ../bin/obspectrophore
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obspectrophore.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obspectrophore.dir/link.d CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -o ../bin/obspectrophore  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 86%] Built target obspectrophore
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 84%] Building CXX object test/CMakeFiles/test_runner.dir/aligntest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/aligntest.cpp.o -MF CMakeFiles/test_runner.dir/aligntest.cpp.o.d -o CMakeFiles/test_runner.dir/aligntest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aligntest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aligntest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/aliastest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/aliastest.cpp.o -MF CMakeFiles/test_runner.dir/aliastest.cpp.o.d -o CMakeFiles/test_runner.dir/aliastest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aliastest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aliastest.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aliastest.cpp: In member function ‘void AliasTestExample::test()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aliastest.cpp:52:18: warning: unused variable ‘ad’ [-Wunused-variable]
   52 |       AliasData* ad = nullptr;
      |                  ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/automorphismtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/automorphismtest.cpp.o -MF CMakeFiles/test_runner.dir/automorphismtest.cpp.o.d -o CMakeFiles/test_runner.dir/automorphismtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/automorphismtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/automorphismtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/automorphismtest.cpp: In function ‘bool doAutomorphismTest(OpenBabel::OBMol&, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/automorphismtest.cpp:15:20: warning: comparison of integer expressions of different signedness: ‘std::vector<std::vector<std::pair<unsigned int, unsigned int> > >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
   15 |   return (G.size() == numAutomorphisms);
      |           ~~~~~~~~~^~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 82%] Linking CXX shared module ../../lib64/pubchemjsonformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pubchemjsonformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pubchemjsonformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pubchemjsonformat.so CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 87%] Built target pubchemjsonformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 86%] Building CXX object src/GUI/CMakeFiles/obgui.dir/stdwx.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/GUI && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/. -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT src/GUI/CMakeFiles/obgui.dir/stdwx.cpp.o -MF CMakeFiles/obgui.dir/stdwx.cpp.o.d -o CMakeFiles/obgui.dir/stdwx.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/stdwx.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./stdwx.h:50,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/stdwx.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./babel.xpm:2:20: warning: ‘sample_xpm’ defined but not used [-Wunused-variable]
    2 | static const char *sample_xpm[] = {
      |                    ^~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o -MF CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o.d -o CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonconsistenttest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonconsistenttest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/buildertest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/buildertest.cpp.o -MF CMakeFiles/test_runner.dir/buildertest.cpp.o.d -o CMakeFiles/test_runner.dir/buildertest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/buildertest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/buildertest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/buildertest.cpp:15:21: warning: ‘failed’ defined but not used [-Wunused-variable]
   15 | static unsigned int failed = 0;
      |                     ^~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o -MF CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o.d -o CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonfragmenttest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonfragmenttest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/canonstabletest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/canonstabletest.cpp.o -MF CMakeFiles/test_runner.dir/canonstabletest.cpp.o.d -o CMakeFiles/test_runner.dir/canonstabletest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonstabletest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonstabletest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o -MF CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o.d -o CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/carspacegrouptest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/carspacegrouptest.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 86%] Generating /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/scripts && /usr/bin/swig -perl5 -c++ -small -O -templatereduce -naturalvar -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -o /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp -outdir /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/openbabel-perl.i
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:368: Warning 325: Nested struct not currently supported (StreamState ignored)
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/scripts/CMakeFiles/bindings_perl.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/conversiontest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/conversiontest.cpp.o -MF CMakeFiles/test_runner.dir/conversiontest.cpp.o.d -o CMakeFiles/test_runner.dir/conversiontest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversiontest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversiontest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 84%] Building CXX object src/GUI/CMakeFiles/obgui.dir/OBGUI.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/GUI && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/. -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT src/GUI/CMakeFiles/obgui.dir/OBGUI.cpp.o -MF CMakeFiles/obgui.dir/OBGUI.cpp.o.d -o CMakeFiles/obgui.dir/OBGUI.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/wx-3.2/wx/stringimpl.h:66,
                 from /usr/include/wx-3.2/wx/unichar.h:15,
                 from /usr/include/wx-3.2/wx/strvararg.h:19,
                 from /usr/include/wx-3.2/wx/string.h:37,
                 from /usr/include/wx-3.2/wx/memory.h:15,
                 from /usr/include/wx-3.2/wx/object.h:19,
                 from /usr/include/wx-3.2/wx/tokenzr.h:14,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./stdwx.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./selformats.h: In member function ‘bool ActiveFormats::Add(wxString&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./selformats.h:82:66: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
   82 |                 return (ActiveFormatsString.find(format+_T(';')) != -1);
      |                         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘virtual bool OBGUIApp::OnInit()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:129:21: warning: unused variable ‘splash’ [-Wunused-variable]
  129 |     wxSplashScreen* splash = new wxSplashScreen(bitmap,
      |                     ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void OBGUIFrame::OnConvert(wxCommandEvent&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:589:9: warning: ignoring return value of ‘std::__cxx11::basic_istringstream<_CharT, _Traits, _Alloc>::__string_type std::__cxx11::basic_istringstream<_CharT, _Traits, _Alloc>::str() const [with _CharT = char; _Traits = std::char_traits<char>; _Alloc = std::allocator<char>; __string_type = std::__cxx11::basic_string<char>]’, declared with attribute ‘nodiscard’ [-Wunused-result]
  589 |   ss.str();
      |   ~~~~~~^~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:28:
/usr/include/c++/15/sstream:713:7: note: declared here
  713 |       str() const _GLIBCXX_LVAL_REF_QUAL
      |       ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void OBGUIFrame::DisplayInputFiles(wxArrayString)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:766:12: warning: comparison of integer expressions of different signedness: ‘int’ and ‘size_t’ {aka ‘long unsigned int’} [-Wsign-compare]
  766 |   for(i=0;i<filepatharray.GetCount();++i)
      |           ~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘bool OBGUIFrame::SetChoice(wxChoice*, const wxString&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:890:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  890 |   for(int iSel=0;iSel<pChoice->GetCount();iSel++)
      |                  ~~~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘wxString OBGUIFrame::ShortenedPath(const wxString&, const wxWindow&, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:934:10: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  934 |   if(pos1==wxNOT_FOUND || pos1+1 == path.length()) return path;
      |          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:936:10: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  936 |   if(pos1==wxNOT_FOUND || pos1+1 == path.length()) return path;
      |          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:943:12: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  943 |     if(pos2==wxNOT_FOUND || pos2+1 == tpath.length()) return path;
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:946:46: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  946 |     if(tpath.find_first_of(_T("/\\"), pos2+1)==wxNOT_FOUND) return path;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void OBGUIFrame::GetAvailableFormats()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1000:13: warning: comparison of integer expressions of different signedness: ‘int’ and ‘const size_t’ {aka ‘const long unsigned int’} [-Wsign-compare]
 1000 |       if(pos!=wxString::npos)
      |          ~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1005:11: warning: variable ‘n’ set but not used [-Wunused-but-set-variable]
 1005 |       int n;
      |           ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void OBGUIFrame::MakePluginsMenu()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1101:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1101 |   for(int itop=0; itop < topvec.size(); ++itop)
      |                   ~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1109:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1109 |     for(int isub=0; isub < subvec.size(); ++isub)
      |                     ~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void CFilenames::OnKeyPress(wxKeyEvent&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1187:50: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 1187 |       if(nameWithWildcard.find_first_of(_T("*?"))==wxNOT_FOUND)
      |                                                  ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1203:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1203 |         for(i=0;i<filelist.size();++i)
      |                 ~^~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/cistranstest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cistranstest.cpp.o -MF CMakeFiles/test_runner.dir/cistranstest.cpp.o.d -o CMakeFiles/test_runner.dir/cistranstest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cistranstest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cistranstest.cpp:146:3: warning: multi-line comment [-Wcomment]
  146 |   //  / \      |   |      /         / \
      |   ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cistranstest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 87%] Building CXX object src/GUI/CMakeFiles/obgui.dir/optswx.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/GUI && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/. -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT src/GUI/CMakeFiles/obgui.dir/optswx.cpp.o -MF CMakeFiles/obgui.dir/optswx.cpp.o.d -o CMakeFiles/obgui.dir/optswx.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./optswx.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/wx-3.2/wx/stringimpl.h:66,
                 from /usr/include/wx-3.2/wx/unichar.h:15,
                 from /usr/include/wx-3.2/wx/strvararg.h:19,
                 from /usr/include/wx-3.2/wx/string.h:37,
                 from /usr/include/wx-3.2/wx/memory.h:15,
                 from /usr/include/wx-3.2/wx/object.h:19,
                 from /usr/include/wx-3.2/wx/tokenzr.h:14,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./stdwx.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp: In member function ‘bool DynOptionswx::Construct(const char*, const char*, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:130:17: warning: comparing the result of pointer addition ‘(p + -1)’ and NULL [-Waddress]
  130 |     while(p && p-1 && *p && *p!='\n') //loop for all options until blank line
      |                ~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:223:16: warning: suggest parentheses around assignment used as truth value [-Wparentheses]
  223 |         if(pdef=strcasestr(pCaption,"default"))
      |            ~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:226:17: warning: unused variable ‘tok’ [-Wunused-variable]
  226 |           char* tok=strtok(pdef," :-\t</\"\'");
      |                 ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:293:60: warning: statement has no effect [-Wunused-value]
  293 |           strcasecmp(pdef,"no") && !strcasecmp(pdef,"not") && strcasecmp(pdef,"none");
      |           ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./stdwx.h:50:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./babel.xpm: At global scope:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./babel.xpm:2:20: warning: ‘sample_xpm’ defined but not used [-Wunused-variable]
    2 | static const char *sample_xpm[] = {
      |                    ^~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o -MF CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o.d -o CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cifspacegrouptest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cifspacegrouptest.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 86%] Generating /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp, /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel.py
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/scripts && /usr/bin/swig -python -c++ -small -O -templatereduce -naturalvar -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -o /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp -DHAVE_EIGEN -DHAVE_EIGEN3 -outdir /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/openbabel-python.i
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:368: Warning 325: Nested struct not currently supported (StreamState ignored)
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/isomorphism.h:160: Warning 325: Nested class not currently supported (Functor ignored)
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/spectrophore.h:571: Warning 312: Nested struct not currently supported (ignored).
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/spectrophore.h:578: Warning 312: Nested struct not currently supported (ignored).
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/scripts/CMakeFiles/bindings_python.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/gziptest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/gziptest.cpp.o -MF CMakeFiles/test_runner.dir/gziptest.cpp.o.d -o CMakeFiles/test_runner.dir/gziptest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/gziptest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/gziptest.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/gziptest.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/addhtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/addhtest.cpp.o -MF CMakeFiles/test_runner.dir/addhtest.cpp.o.d -o CMakeFiles/test_runner.dir/addhtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/addhtest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/addhtest.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/addhtest.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/graphsymtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/graphsymtest.cpp.o -MF CMakeFiles/test_runner.dir/graphsymtest.cpp.o.d -o CMakeFiles/test_runner.dir/graphsymtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp: In function ‘void countGraphSymClassesTest(const std::string&, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp:110:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  110 |   OB_ASSERT( n == numberOfClasses);
      |              ~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:27:6: note: in definition of macro ‘OB_ASSERT’
   27 |   ( (exp) ? static_cast<void>(0) : report_error(#exp, __FILE__, __LINE__, FUNCTION_SIGNATURE, false) )
      |      ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp:111:9: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  111 |   if (n != numberOfClasses) {
      |       ~~^~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/implicitHtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/implicitHtest.cpp.o -MF CMakeFiles/test_runner.dir/implicitHtest.cpp.o.d -o CMakeFiles/test_runner.dir/implicitHtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/implicitHtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/implicitHtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 86%] Generating /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/scripts && /usr/bin/swig -ruby -c++ -small -O -templatereduce -naturalvar -autorename -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -o /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.txt /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/openbabel-ruby.i
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/scripts && sed -e 's/rb_define_module("Openbabel")/rb_define_module("OpenBabel")/' -e's/void Init_OpenBabel/void Init_openbabel/' </builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.txt >/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/scripts && /usr/bin/cmake -E remove /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.txt
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:368: Warning 325: Nested struct not currently supported (StreamState ignored)
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/isomorphism.h:160: Warning 325: Nested class not currently supported (Functor ignored)
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/scripts/CMakeFiles/bindings_ruby.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_ruby.dir/build.make scripts/CMakeFiles/bindings_ruby.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/multicmltest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/multicmltest.cpp.o -MF CMakeFiles/test_runner.dir/multicmltest.cpp.o.d -o CMakeFiles/test_runner.dir/multicmltest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/multicmltest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/multicmltest.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/multicmltest.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/lssrtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/lssrtest.cpp.o -MF CMakeFiles/test_runner.dir/lssrtest.cpp.o.d -o CMakeFiles/test_runner.dir/lssrtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/lssrtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/lssrtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/lssrtest.cpp: In function ‘bool verifyLSSR(const std::string&, const LSSR&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/lssrtest.cpp:173:8: warning: unused variable ‘fail’ [-Wunused-variable]
  173 |   bool fail = false;
      |        ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/periodictest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/periodictest.cpp.o -MF CMakeFiles/test_runner.dir/periodictest.cpp.o.d -o CMakeFiles/test_runner.dir/periodictest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/periodictest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/periodictest.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h: In instantiation of ‘void ob_compare(T1, T2, const char*, const char*, int, const char*) [with T1 = unsigned int; T2 = int]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/periodictest.cpp:91:3:   required from here
   36 |   ob_compare(a, b, OB_EXPR( a == b ), __FILE__, __LINE__, FUNCTION_SIGNATURE)
      |   ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:22:11: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
   22 |   if (!(a == b))
      |        ~~~^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/isomorphismtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/isomorphismtest.cpp.o -MF CMakeFiles/test_runner.dir/isomorphismtest.cpp.o.d -o CMakeFiles/test_runner.dir/isomorphismtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp:114:3: warning: multi-line comment [-Wcomment]
  114 |   //     /\ /\ /\
      |   ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp:165:3: warning: multi-line comment [-Wcomment]
  165 |   //     /\ /\ /\
      |   ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp:187:3: warning: multi-line comment [-Wcomment]
  187 |   //     /\ /\ /\
      |   ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/rotortest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/rotortest.cpp.o -MF CMakeFiles/test_runner.dir/rotortest.cpp.o.d -o CMakeFiles/test_runner.dir/rotortest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/rotortest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/rotortest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/regressionstest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/regressionstest.cpp.o -MF CMakeFiles/test_runner.dir/regressionstest.cpp.o.d -o CMakeFiles/test_runner.dir/regressionstest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp: In function ‘void test_ChemDraw_Basic()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp:70:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
   70 |   for (int i=0; i<size; ++i) {
      |                 ~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h: In instantiation of ‘void ob_compare(T1, T2, const char*, const char*, int, const char*) [with T1 = unsigned int; T2 = int]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp:242:3:   required from here
   36 |   ob_compare(a, b, OB_EXPR( a == b ), __FILE__, __LINE__, FUNCTION_SIGNATURE)
      |   ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:22:11: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
   22 |   if (!(a == b))
      |        ~~~^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/smilestest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smilestest.cpp.o -MF CMakeFiles/test_runner.dir/smilestest.cpp.o.d -o CMakeFiles/test_runner.dir/smilestest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp: In function ‘void genericSmilesCanonicalTest(const std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:246:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  246 |       if (tetrahedral1[i].center == tetrahedral2[j].center)
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:248:9: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  248 |         if ( tetrahedral1[i] != tetrahedral2[j] ) {
      |         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:268:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  268 |       if (squareplanar1[i].center == squareplanar2[j].center)
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:270:9: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  270 |         if ( squareplanar1[i] != squareplanar2[j] ) {
      |         ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/shuffletest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/shuffletest.cpp.o -MF CMakeFiles/test_runner.dir/shuffletest.cpp.o.d -o CMakeFiles/test_runner.dir/shuffletest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/shuffletest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/shuffletest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/squareplanartest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/squareplanartest.cpp.o -MF CMakeFiles/test_runner.dir/squareplanartest.cpp.o.d -o CMakeFiles/test_runner.dir/squareplanartest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/squareplanartest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/squareplanartest.cpp:56:3: warning: multi-line comment [-Wcomment]
   56 |   //  / \      |   |     |/  |      / \
      |   ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/squareplanartest.cpp:99:3: warning: multi-line comment [-Wcomment]
   99 |   //  / \      |   |     |/  |      / \
      |   ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/squareplanartest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 89%] Linking CXX executable ../../bin/obgui
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/GUI && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgui.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obgui.dir/link.d CMakeFiles/obgui.dir/OBGUI.cpp.o CMakeFiles/obgui.dir/stdwx.cpp.o CMakeFiles/obgui.dir/optswx.cpp.o -o ../../bin/obgui  ../../lib64/libopenbabel.so.7.0.0 -pthread -lwx_baseu-3.2 -lwx_gtk3u_core-3.2 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 92%] Built target obgui
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/spectrophoretest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/spectrophoretest.cpp.o -MF CMakeFiles/test_runner.dir/spectrophoretest.cpp.o.d -o CMakeFiles/test_runner.dir/spectrophoretest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/spectrophoretest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/spectrophoretest.cpp:3:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/spectrophoretest.cpp:1:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o -MF CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o.d -o CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetranonplanartest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetranonplanartest.cpp:22:1: warning: multi-line comment [-Wcomment]
   22 | //         \
      | ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetranonplanartest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o -MF CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o.d -o CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetrahedraltest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetrahedraltest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/stereotest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/stereotest.cpp.o -MF CMakeFiles/test_runner.dir/stereotest.cpp.o.d -o CMakeFiles/test_runner.dir/stereotest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp: In function ‘bool doStereoPerception(OpenBabel::OBMol&, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘ExtendedCisTrans’ not handled in switch [-Wswitch]
  102 |     switch (units.at(i).type) {
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘SquarePlanar’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘ExtendedTetrahedral’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘TrigonalBipyramidal’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘Octahedral’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp: In function ‘bool doStereoPerception2(OpenBabel::OBMol&, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘ExtendedCisTrans’ not handled in switch [-Wswitch]
  132 |     switch (units.at(i).type) {
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘SquarePlanar’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘ExtendedTetrahedral’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘TrigonalBipyramidal’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘Octahedral’ not handled in switch [-Wswitch]
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tautomertest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tautomertest.cpp.o -MF CMakeFiles/test_runner.dir/tautomertest.cpp.o.d -o CMakeFiles/test_runner.dir/tautomertest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tautomertest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tautomertest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/uniqueidtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/uniqueidtest.cpp.o -MF CMakeFiles/test_runner.dir/uniqueidtest.cpp.o.d -o CMakeFiles/test_runner.dir/uniqueidtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/uniqueidtest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/uniqueidtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o -MF CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o.d -o CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:255:5: warning: multi-line comment [-Wcomment]
  255 |     //         /    \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:270:5: warning: multi-line comment [-Wcomment]
  270 |     //         /    \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:285:5: warning: multi-line comment [-Wcomment]
  285 |     //         \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:287:5: warning: multi-line comment [-Wcomment]
  287 |     //              \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:310:5: warning: multi-line comment [-Wcomment]
  310 |     //              \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:329:5: warning: multi-line comment [-Wcomment]
  329 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:339:5: warning: multi-line comment [-Wcomment]
  339 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:349:5: warning: multi-line comment [-Wcomment]
  349 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:366:5: warning: multi-line comment [-Wcomment]
  366 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:377:5: warning: multi-line comment [-Wcomment]
  377 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:390:5: warning: multi-line comment [-Wcomment]
  390 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:401:5: warning: multi-line comment [-Wcomment]
  401 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:432:5: warning: multi-line comment [-Wcomment]
  432 |     //   \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:434:5: warning: multi-line comment [-Wcomment]
  434 |     //        \
      |     ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/atom.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/atom.cpp.o -MF CMakeFiles/test_runner.dir/atom.cpp.o.d -o CMakeFiles/test_runner.dir/atom.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/atom.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/atom.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/atom.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/aromatest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/aromatest.cpp.o -MF CMakeFiles/test_runner.dir/aromatest.cpp.o.d -o CMakeFiles/test_runner.dir/aromatest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aromatest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aromatest.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aromatest.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tetraplanartest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tetraplanartest.cpp.o -MF CMakeFiles/test_runner.dir/tetraplanartest.cpp.o.d -o CMakeFiles/test_runner.dir/tetraplanartest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetraplanartest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetraplanartest.cpp:11:1: warning: multi-line comment [-Wcomment]
   11 | //         \
      | ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetraplanartest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/bond.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/bond.cpp.o -MF CMakeFiles/test_runner.dir/bond.cpp.o.d -o CMakeFiles/test_runner.dir/bond.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/bond.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/bond.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/bond.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/cansmi.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cansmi.cpp.o -MF CMakeFiles/test_runner.dir/cansmi.cpp.o.d -o CMakeFiles/test_runner.dir/cansmi.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cansmi.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cansmi.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cansmi.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/conversion.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/conversion.cpp.o -MF CMakeFiles/test_runner.dir/conversion.cpp.o.d -o CMakeFiles/test_runner.dir/conversion.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversion.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversion.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversion.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/datatest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/datatest.cpp.o -MF CMakeFiles/test_runner.dir/datatest.cpp.o.d -o CMakeFiles/test_runner.dir/datatest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/datatest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/charge_mmff94.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/charge_mmff94.cpp.o -MF CMakeFiles/test_runner.dir/charge_mmff94.cpp.o.d -o CMakeFiles/test_runner.dir/charge_mmff94.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_mmff94.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_mmff94.cpp:13:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_mmff94.cpp:10:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o -MF CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o.d -o CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_gasteiger.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_gasteiger.cpp:13:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_gasteiger.cpp:10:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/ffgaff.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffgaff.cpp.o -MF CMakeFiles/test_runner.dir/ffgaff.cpp.o.d -o CMakeFiles/test_runner.dir/ffgaff.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffgaff.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffgaff.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffgaff.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/ffghemical.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffghemical.cpp.o -MF CMakeFiles/test_runner.dir/ffghemical.cpp.o.d -o CMakeFiles/test_runner.dir/ffghemical.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffghemical.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffghemical.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffghemical.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/format.cpp.o -MF CMakeFiles/test_runner.dir/format.cpp.o.d -o CMakeFiles/test_runner.dir/format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/format.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/format.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/formalcharge.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/formalcharge.cpp.o -MF CMakeFiles/test_runner.dir/formalcharge.cpp.o.d -o CMakeFiles/test_runner.dir/formalcharge.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formalcharge.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formalcharge.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formalcharge.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/ffuff.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffuff.cpp.o -MF CMakeFiles/test_runner.dir/ffuff.cpp.o.d -o CMakeFiles/test_runner.dir/ffuff.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffuff.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffuff.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffuff.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/ffmmff94.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffmmff94.cpp.o -MF CMakeFiles/test_runner.dir/ffmmff94.cpp.o.d -o CMakeFiles/test_runner.dir/ffmmff94.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffmmff94.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffmmff94.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffmmff94.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/internalcoord.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/internalcoord.cpp.o -MF CMakeFiles/test_runner.dir/internalcoord.cpp.o.d -o CMakeFiles/test_runner.dir/internalcoord.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/internalcoord.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/internalcoord.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/internalcoord.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/invalidsmiles.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/invalidsmiles.cpp.o -MF CMakeFiles/test_runner.dir/invalidsmiles.cpp.o.d -o CMakeFiles/test_runner.dir/invalidsmiles.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/invalidsmiles.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/invalidsmiles.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/invalidsmiles.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/formula.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/formula.cpp.o -MF CMakeFiles/test_runner.dir/formula.cpp.o.d -o CMakeFiles/test_runner.dir/formula.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formula.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formula.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formula.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/invalidsmarts.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/invalidsmarts.cpp.o -MF CMakeFiles/test_runner.dir/invalidsmarts.cpp.o.d -o CMakeFiles/test_runner.dir/invalidsmarts.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/invalidsmarts.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/iterators.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/iterators.cpp.o -MF CMakeFiles/test_runner.dir/iterators.cpp.o.d -o CMakeFiles/test_runner.dir/iterators.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/iterators.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/iterators.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/iterators.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/logp_psa.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/logp_psa.cpp.o -MF CMakeFiles/test_runner.dir/logp_psa.cpp.o.d -o CMakeFiles/test_runner.dir/logp_psa.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/logp_psa.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/logp_psa.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/logp_psa.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/pdbreadfile.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/pdbreadfile.cpp.o -MF CMakeFiles/test_runner.dir/pdbreadfile.cpp.o.d -o CMakeFiles/test_runner.dir/pdbreadfile.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/pdbreadfile.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/pdbreadfile.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/pdbreadfile.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/mol.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/mol.cpp.o -MF CMakeFiles/test_runner.dir/mol.cpp.o.d -o CMakeFiles/test_runner.dir/mol.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/mol.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/mol.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/mol.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/phmodel.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/phmodel.cpp.o -MF CMakeFiles/test_runner.dir/phmodel.cpp.o.d -o CMakeFiles/test_runner.dir/phmodel.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/phmodel.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/phmodel.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/phmodel.cpp:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/residue.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/residue.cpp.o -MF CMakeFiles/test_runner.dir/residue.cpp.o.d -o CMakeFiles/test_runner.dir/residue.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/residue.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/residue.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/residue.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/math.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/math.cpp.o -MF CMakeFiles/test_runner.dir/math.cpp.o.d -o CMakeFiles/test_runner.dir/math.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/math.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/math.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/../src/rand.cpp:428:15: warning: ‘void OpenBabel::GenerateSequence(unsigned int, unsigned int, unsigned int, unsigned int)’ defined but not used [-Wunused-function]
  428 |   static void GenerateSequence( unsigned int p, unsigned int m,
      |               ^~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/smartsparse.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smartsparse.cpp.o -MF CMakeFiles/test_runner.dir/smartsparse.cpp.o.d -o CMakeFiles/test_runner.dir/smartsparse.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smartsparse.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/smilesmatch.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smilesmatch.cpp.o -MF CMakeFiles/test_runner.dir/smilesmatch.cpp.o.d -o CMakeFiles/test_runner.dir/smilesmatch.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilesmatch.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilesmatch.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilesmatch.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/ringtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ringtest.cpp.o -MF CMakeFiles/test_runner.dir/ringtest.cpp.o.d -o CMakeFiles/test_runner.dir/ringtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ringtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ringtest.cpp:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ringtest.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/smartstest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smartstest.cpp.o -MF CMakeFiles/test_runner.dir/smartstest.cpp.o.d -o CMakeFiles/test_runner.dir/smartstest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smartstest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smartstest.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smartstest.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 99%] Building CXX object test/CMakeFiles/test_runner.dir/obtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/obtest.cpp.o -MF CMakeFiles/test_runner.dir/obtest.cpp.o.d -o CMakeFiles/test_runner.dir/obtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 99%] Building CXX object test/CMakeFiles/test_runner.dir/cmlreadfile.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cmlreadfile.cpp.o -MF CMakeFiles/test_runner.dir/cmlreadfile.cpp.o.d -o CMakeFiles/test_runner.dir/cmlreadfile.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cmlreadfile.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cmlreadfile.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cmlreadfile.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 99%] Building CXX object test/CMakeFiles/test_runner.dir/unitcell.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/unitcell.cpp.o -MF CMakeFiles/test_runner.dir/unitcell.cpp.o.d -o CMakeFiles/test_runner.dir/unitcell.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/unitcell.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 99%] Linking CXX executable ../bin/test_runner
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/test_runner.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/test_runner.dir/link.d CMakeFiles/test_runner.dir/test_runner.cpp.o CMakeFiles/test_runner.dir/aligntest.cpp.o CMakeFiles/test_runner.dir/aliastest.cpp.o CMakeFiles/test_runner.dir/automorphismtest.cpp.o CMakeFiles/test_runner.dir/buildertest.cpp.o CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o CMakeFiles/test_runner.dir/canonstabletest.cpp.o CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o CMakeFiles/test_runner.dir/cistranstest.cpp.o CMakeFiles/test_runner.dir/conversiontest.cpp.o CMakeFiles/test_runner.dir/graphsymtest.cpp.o CMakeFiles/test_runner.dir/gziptest.cpp.o CMakeFiles/test_runner.dir/addhtest.cpp.o CMakeFiles/test_runner.dir/implicitHtest.cpp.o CMakeFiles/test_runner.dir/lssrtest.cpp.o CMakeFiles/test_runner.dir/isomorphismtest.cpp.o CMakeFiles/test_runner.dir/multicmltest.cpp.o CMakeFiles/test_runner.dir/periodictest.cpp.o CMakeFiles/test_runner.dir/regressionstest.cpp.o CMakeFiles/test_runner.dir/rotortest.cpp.o CMakeFiles/test_runner.dir/shuffletest.cpp.o CMakeFiles/test_runner.dir/smilestest.cpp.o CMakeFiles/test_runner.dir/spectrophoretest.cpp.o CMakeFiles/test_runner.dir/squareplanartest.cpp.o CMakeFiles/test_runner.dir/stereotest.cpp.o CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o CMakeFiles/test_runner.dir/tautomertest.cpp.o CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o CMakeFiles/test_runner.dir/tetraplanartest.cpp.o CMakeFiles/test_runner.dir/uniqueidtest.cpp.o CMakeFiles/test_runner.dir/aromatest.cpp.o CMakeFiles/test_runner.dir/atom.cpp.o CMakeFiles/test_runner.dir/bond.cpp.o CMakeFiles/test_runner.dir/cansmi.cpp.o CMakeFiles/test_runner.dir/charge_mmff94.cpp.o CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o CMakeFiles/test_runner.dir/conversion.cpp.o CMakeFiles/test_runner.dir/datatest.cpp.o CMakeFiles/test_runner.dir/ffgaff.cpp.o CMakeFiles/test_runner.dir/ffghemical.cpp.o CMakeFiles/test_runner.dir/ffmmff94.cpp.o CMakeFiles/test_runner.dir/ffuff.cpp.o CMakeFiles/test_runner.dir/formalcharge.cpp.o CMakeFiles/test_runner.dir/format.cpp.o CMakeFiles/test_runner.dir/formula.cpp.o CMakeFiles/test_runner.dir/internalcoord.cpp.o CMakeFiles/test_runner.dir/invalidsmarts.cpp.o CMakeFiles/test_runner.dir/invalidsmiles.cpp.o CMakeFiles/test_runner.dir/iterators.cpp.o CMakeFiles/test_runner.dir/logp_psa.cpp.o CMakeFiles/test_runner.dir/math.cpp.o CMakeFiles/test_runner.dir/mol.cpp.o CMakeFiles/test_runner.dir/pdbreadfile.cpp.o CMakeFiles/test_runner.dir/phmodel.cpp.o CMakeFiles/test_runner.dir/residue.cpp.o CMakeFiles/test_runner.dir/ringtest.cpp.o CMakeFiles/test_runner.dir/smartstest.cpp.o CMakeFiles/test_runner.dir/smartsparse.cpp.o CMakeFiles/test_runner.dir/smilesmatch.cpp.o CMakeFiles/test_runner.dir/unitcell.cpp.o CMakeFiles/test_runner.dir/cmlreadfile.cpp.o CMakeFiles/test_runner.dir/obtest.cpp.o -o ../bin/test_runner  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 99%] Built target test_runner
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 89%] Building CXX object scripts/CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/scripts && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbindings_python_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/python3.13 -I/usr/lib64/perl5/CORE -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT scripts/CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o -MF CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o.d -o CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp
In file included from /usr/include/python3.13/pyconfig.h:6,
                 from /usr/include/python3.13/Python.h:14,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:207:
/usr/include/python3.13/pyconfig-64.h:1940:9: warning: ‘_LARGEFILE_SOURCE’ redefined
 1940 | #define _LARGEFILE_SOURCE 1
      |         ^~~~~~~~~~~~~~~~~
<command-line>: note: this is the location of the previous definition
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/generic.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3643:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3644:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3651:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3658:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/stdexcept:41,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3559:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_SwigPyIterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7756:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7756 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7756:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7756 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SwigPyIterator_incr(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7794:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7794 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator_incr", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7794:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7794 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator_incr", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7796:64: note: in expansion of macro ‘SWIG_fail’
 7796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7798:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7798:64: note: in expansion of macro ‘SWIG_fail’
 7798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SwigPyIterator_decr(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7825:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7825 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator_decr", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7825:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7825 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator_decr", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7827:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7827 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7827:64: note: in expansion of macro ‘SWIG_fail’
 7827 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7829:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7829 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7829:64: note: in expansion of macro ‘SWIG_fail’
 7829 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SwigPyIterator___sub__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8018:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8018 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator___sub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8018:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8018 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator___sub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8022:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8022 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8022:64: note: in expansion of macro ‘SWIG_fail’
 8022 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___setslice____SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8104:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8104 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8104:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8104 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8125:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8125 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8125:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8125 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8127:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8127 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8127:64: note: in expansion of macro ‘SWIG_fail’
 8127 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8129:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8129 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8129:64: note: in expansion of macro ‘SWIG_fail’
 8129 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___setitem____SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8200:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8200 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8200:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8200 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___delitem____SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8211:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8211 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8211:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8211 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8220:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8220 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8220:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8220 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8224:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8224 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8224:64: note: in expansion of macro ‘SWIG_fail’
 8224 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___getitem____SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8231:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8231 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8231:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8231 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8244:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8244 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8244:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8244 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8248:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8248 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8248:64: note: in expansion of macro ‘SWIG_fail’
 8248 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8268:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8268 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8268:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8268 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8270:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8270 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8270:64: note: in expansion of macro ‘SWIG_fail’
 8270 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8273:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8273 |     if (!_v) goto check_2; return _wrap_vectorInt___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8273:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8273 |     if (!_v) goto check_2; return _wrap_vectorInt___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8275:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8275 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8275:64: note: in expansion of macro ‘SWIG_fail’
 8275 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8289:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8289 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8289:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8289 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8297:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8297 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8297:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8297 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt_clear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8300:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8300 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8300:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8300 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8328:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8328 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8328:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8328 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8331:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8331 |     if (!_v) goto check_2; return _wrap_new_vectorInt__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8331:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8331 |     if (!_v) goto check_2; return _wrap_new_vectorInt__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8334:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8334 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8334:64: note: in expansion of macro ‘SWIG_fail’
 8334 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_vectorInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8342:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8342 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8342:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8342 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8361:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8361 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8361:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8361 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8456:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8456 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8456:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8456 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8458:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8458 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8458:64: note: in expansion of macro ‘SWIG_fail’
 8458 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8460:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8460 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8460:64: note: in expansion of macro ‘SWIG_fail’
 8460 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8554:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8554 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8554:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8554 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8558:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8558:64: note: in expansion of macro ‘SWIG_fail’
 8558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8580:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8580 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8580:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8580 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8584:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8584:64: note: in expansion of macro ‘SWIG_fail’
 8584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8607:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8607 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8607:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8607 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8609:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8609 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8609:64: note: in expansion of macro ‘SWIG_fail’
 8609 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8614:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8614 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8614:64: note: in expansion of macro ‘SWIG_fail’
 8614 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorUnsignedInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8637:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8637 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8637:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8637 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorUnsignedInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8668:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8668 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorUnsignedInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8668:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8668 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorUnsignedInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8670:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8670 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8670:64: note: in expansion of macro ‘SWIG_fail’
 8670 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8674:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8674 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8674:64: note: in expansion of macro ‘SWIG_fail’
 8674 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8676:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8676 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8676:64: note: in expansion of macro ‘SWIG_fail’
 8676 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8705:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8705 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8705:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8705 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8800:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8800 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8800:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8800 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8802:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8802 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8802:64: note: in expansion of macro ‘SWIG_fail’
 8802 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8804:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8804 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8804:64: note: in expansion of macro ‘SWIG_fail’
 8804 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8898:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8898 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8898:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8898 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8902:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8902 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8902:64: note: in expansion of macro ‘SWIG_fail’
 8902 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8923:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8923 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8923:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8923 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8927:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8927 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8927:64: note: in expansion of macro ‘SWIG_fail’
 8927 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8950:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8950 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8950:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8950 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8952:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8952 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8952:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8952 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8954:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8954 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8954:64: note: in expansion of macro ‘SWIG_fail’
 8954 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8959:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8959 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8959:64: note: in expansion of macro ‘SWIG_fail’
 8959 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8983:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8983 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8983:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8983 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvInt__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9015:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9015 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9015:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9015 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9017:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9017 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorvInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9017:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9017 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorvInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9019:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9019:64: note: in expansion of macro ‘SWIG_fail’
 9019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9023:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9023 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9023:64: note: in expansion of macro ‘SWIG_fail’
 9023 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9025:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9025 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9025:64: note: in expansion of macro ‘SWIG_fail’
 9025 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9054:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9054 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9054:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9054 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9147:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9147 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9147:64: note: in expansion of macro ‘SWIG_fail’
 9147 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9149:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9149 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9149:64: note: in expansion of macro ‘SWIG_fail’
 9149 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9245:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9245 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9245:64: note: in expansion of macro ‘SWIG_fail’
 9245 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9269:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9269 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9269:64: note: in expansion of macro ‘SWIG_fail’
 9269 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9293:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9293 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9293:64: note: in expansion of macro ‘SWIG_fail’
 9293 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9296:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9296 |     if (!_v) goto check_2; return _wrap_vectorDouble___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9296:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9296 |     if (!_v) goto check_2; return _wrap_vectorDouble___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9298:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9298 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9298:64: note: in expansion of macro ‘SWIG_fail’
 9298 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorDouble__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9320:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9320 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9320:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9320 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorDouble(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9351:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9351 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorDouble", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9351:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9351 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorDouble", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9353:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9353 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9353:64: note: in expansion of macro ‘SWIG_fail’
 9353 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9357:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9357 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9357:64: note: in expansion of macro ‘SWIG_fail’
 9357 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9359:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9359:64: note: in expansion of macro ‘SWIG_fail’
 9359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9387:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9387 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9387:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9387 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9483:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9483:64: note: in expansion of macro ‘SWIG_fail’
 9483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9485:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9485 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9485:64: note: in expansion of macro ‘SWIG_fail’
 9485 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9578:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9578 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9578:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9578 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9582:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9582 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9582:64: note: in expansion of macro ‘SWIG_fail’
 9582 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9603:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9603 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9603:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9603 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9607:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9607 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9607:64: note: in expansion of macro ‘SWIG_fail’
 9607 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9629:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9629 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9629:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9629 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9631:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9631 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9631:64: note: in expansion of macro ‘SWIG_fail’
 9631 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9636:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9636:64: note: in expansion of macro ‘SWIG_fail’
 9636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorULong__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9659:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9659 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9659:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9659 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorULong(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9690:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9690 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorULong", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9690:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9690 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorULong", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9692:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9692 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9692:64: note: in expansion of macro ‘SWIG_fail’
 9692 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9696:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9696 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9696:64: note: in expansion of macro ‘SWIG_fail’
 9696 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9698:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9698 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9698:64: note: in expansion of macro ‘SWIG_fail’
 9698 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9727:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9727:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9823:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9823 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9823:64: note: in expansion of macro ‘SWIG_fail’
 9823 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9825:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9825 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9825:64: note: in expansion of macro ‘SWIG_fail’
 9825 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9921:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9921 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9921:64: note: in expansion of macro ‘SWIG_fail’
 9921 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9946:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9946 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9946:64: note: in expansion of macro ‘SWIG_fail’
 9946 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9967:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9967 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9967:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9967 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9971:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9971 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9971:64: note: in expansion of macro ‘SWIG_fail’
 9971 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9976:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9976 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9976:64: note: in expansion of macro ‘SWIG_fail’
 9976 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorString__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9999:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9999 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9999:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9999 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorString__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10019:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10019 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10019:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10019 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10029:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10029 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10029:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10029 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorString(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10031:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10031 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorString", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10031:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10031 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorString", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10033:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10033 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10033:64: note: in expansion of macro ‘SWIG_fail’
10033 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10037:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10037 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10037:64: note: in expansion of macro ‘SWIG_fail’
10037 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10039:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10039 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10039:64: note: in expansion of macro ‘SWIG_fail’
10039 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10068:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10068 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10068:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10068 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10165:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10165 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10165:64: note: in expansion of macro ‘SWIG_fail’
10165 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10167:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10167 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10167:64: note: in expansion of macro ‘SWIG_fail’
10167 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10265:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10265 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10265:64: note: in expansion of macro ‘SWIG_fail’
10265 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10290:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10290 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10290:64: note: in expansion of macro ‘SWIG_fail’
10290 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10316:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10316 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10316:64: note: in expansion of macro ‘SWIG_fail’
10316 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10321:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10321 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10321:64: note: in expansion of macro ‘SWIG_fail’
10321 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorVector3__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10345:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10345 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10345:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10345 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorVector3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10378:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10378 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorVector3", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10378:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10378 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorVector3", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10380:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10380 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10380:64: note: in expansion of macro ‘SWIG_fail’
10380 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10384:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10384 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10384:64: note: in expansion of macro ‘SWIG_fail’
10384 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10386:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10386 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10386:64: note: in expansion of macro ‘SWIG_fail’
10386 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10523:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10523 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10523:64: note: in expansion of macro ‘SWIG_fail’
10523 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10525:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10525:64: note: in expansion of macro ‘SWIG_fail’
10525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10637:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10637 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10637:64: note: in expansion of macro ‘SWIG_fail’
10637 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10665:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10665 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10665:64: note: in expansion of macro ‘SWIG_fail’
10665 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10692:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10692 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10692:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10692 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10696:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10696 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10696:64: note: in expansion of macro ‘SWIG_fail’
10696 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10701:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10701 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10701:64: note: in expansion of macro ‘SWIG_fail’
10701 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvVector3__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10717:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10717 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10717:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10717 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10726:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10726 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10726:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10726 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvVector3__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10748:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10748 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10748:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10748 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10759:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10759 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10759:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10759 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvVector3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10761:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10761 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorvVector3", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10761:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10761 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorvVector3", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10763:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10763:64: note: in expansion of macro ‘SWIG_fail’
10763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10767:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10767:64: note: in expansion of macro ‘SWIG_fail’
10767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10769:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10769 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10769:64: note: in expansion of macro ‘SWIG_fail’
10769 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10798:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10798 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10798:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10798 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10895:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10895 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10895:64: note: in expansion of macro ‘SWIG_fail’
10895 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10897:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10897 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10897:64: note: in expansion of macro ‘SWIG_fail’
10897 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10991:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10991 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10991:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10991 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10995:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10995:64: note: in expansion of macro ‘SWIG_fail’
10995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11016:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11016 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11016:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11016 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11020:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11020:64: note: in expansion of macro ‘SWIG_fail’
11020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11044:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11044 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11044:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11044 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11046:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11046:64: note: in expansion of macro ‘SWIG_fail’
11046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11051:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11051 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11051:64: note: in expansion of macro ‘SWIG_fail’
11051 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBMol__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11074:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11074 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11074:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11074 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBMol(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11107:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11107 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBMol", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11107:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11107 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBMol", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11109:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11109 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11109:64: note: in expansion of macro ‘SWIG_fail’
11109 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11113:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11113 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11113:64: note: in expansion of macro ‘SWIG_fail’
11113 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11115:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11115 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11115:64: note: in expansion of macro ‘SWIG_fail’
11115 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11144:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11144 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11144:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11144 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11241:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11241:64: note: in expansion of macro ‘SWIG_fail’
11241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11243:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11243 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11243:64: note: in expansion of macro ‘SWIG_fail’
11243 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11341:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11341:64: note: in expansion of macro ‘SWIG_fail’
11341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11366:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11366 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11366:64: note: in expansion of macro ‘SWIG_fail’
11366 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11392:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11392 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11392:64: note: in expansion of macro ‘SWIG_fail’
11392 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11397:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11397 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11397:64: note: in expansion of macro ‘SWIG_fail’
11397 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11420:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11420 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11420:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11420 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11453:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11453 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBBond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11453:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11453 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBBond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11455:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11455 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11455:64: note: in expansion of macro ‘SWIG_fail’
11455 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11459:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11459 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11459:64: note: in expansion of macro ‘SWIG_fail’
11459 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11461:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11461 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11461:64: note: in expansion of macro ‘SWIG_fail’
11461 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11490:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11490 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11490:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11490 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11587:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11587 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11587:64: note: in expansion of macro ‘SWIG_fail’
11587 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11589:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11589 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11589:64: note: in expansion of macro ‘SWIG_fail’
11589 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11687:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11687 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11687:64: note: in expansion of macro ‘SWIG_fail’
11687 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11712:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11712 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11712:64: note: in expansion of macro ‘SWIG_fail’
11712 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11739:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11739 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11739:64: note: in expansion of macro ‘SWIG_fail’
11739 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11744:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11744 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11744:64: note: in expansion of macro ‘SWIG_fail’
11744 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBResidue__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11768:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11768 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11768:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11768 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11801:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11801 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBResidue", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11801:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11801 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBResidue", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11803:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11803 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11803:64: note: in expansion of macro ‘SWIG_fail’
11803 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11807:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11807 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11807:64: note: in expansion of macro ‘SWIG_fail’
11807 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11809:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11809 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11809:64: note: in expansion of macro ‘SWIG_fail’
11809 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11838:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11838 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11838:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11838 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11935:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11935 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11935:64: note: in expansion of macro ‘SWIG_fail’
11935 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11937:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11937 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11937:64: note: in expansion of macro ‘SWIG_fail’
11937 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12035:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12035 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12035:64: note: in expansion of macro ‘SWIG_fail’
12035 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12060:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12060 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12060:64: note: in expansion of macro ‘SWIG_fail’
12060 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12086:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12086 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12086:64: note: in expansion of macro ‘SWIG_fail’
12086 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12091:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12091:64: note: in expansion of macro ‘SWIG_fail’
12091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBRing__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12114:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12114 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12114:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12114 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12147:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12147 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12147:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12147 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12149:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12149 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12149:64: note: in expansion of macro ‘SWIG_fail’
12149 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12153:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12153 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12153:64: note: in expansion of macro ‘SWIG_fail’
12153 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12155:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12155:64: note: in expansion of macro ‘SWIG_fail’
12155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12184:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12184 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12184:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12184 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12281:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12281 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12281:64: note: in expansion of macro ‘SWIG_fail’
12281 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12283:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12283 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12283:64: note: in expansion of macro ‘SWIG_fail’
12283 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12381:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12381 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12381:64: note: in expansion of macro ‘SWIG_fail’
12381 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12405:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12405 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12405:64: note: in expansion of macro ‘SWIG_fail’
12405 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12429:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12429 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12429:64: note: in expansion of macro ‘SWIG_fail’
12429 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12434:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12434 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12434:64: note: in expansion of macro ‘SWIG_fail’
12434 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBRing__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12458:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12458 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12458:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12458 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBRing__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12479:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12479 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12479:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12479 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12489:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12489 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorpOBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12489:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12489 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorpOBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12491:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12491 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12491:64: note: in expansion of macro ‘SWIG_fail’
12491 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12495:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12495 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12495:64: note: in expansion of macro ‘SWIG_fail’
12495 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12497:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12497 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12497:64: note: in expansion of macro ‘SWIG_fail’
12497 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___len__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12555:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12555 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12555:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12555 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12631:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12631 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___setslice__", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12631:108: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12631 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___setslice__", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12633:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12633 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12633:64: note: in expansion of macro ‘SWIG_fail’
12633 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12635:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12635 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12635:64: note: in expansion of macro ‘SWIG_fail’
12635 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12739:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12739 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___delitem__", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12739:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12739 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___delitem__", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12743:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12743 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12743:64: note: in expansion of macro ‘SWIG_fail’
12743 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12766:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12766 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___getitem__", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12766:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12766 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___getitem__", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12770:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12770 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12770:64: note: in expansion of macro ‘SWIG_fail’
12770 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12796:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12796 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___setitem__", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12796:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12796 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___setitem__", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12798:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12798:64: note: in expansion of macro ‘SWIG_fail’
12798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12804:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12804 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12804:64: note: in expansion of macro ‘SWIG_fail’
12804 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBGenericData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12828:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12828 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12828:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12828 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBGenericData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12863:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12863 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12863:64: note: in expansion of macro ‘SWIG_fail’
12863 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12867:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12867 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12867:64: note: in expansion of macro ‘SWIG_fail’
12867 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12869:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12869 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12869:64: note: in expansion of macro ‘SWIG_fail’
12869 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___len__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12927:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12927 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12927:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12927 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13005:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13005 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___setslice__", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13005:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13005 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___setslice__", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13007:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13007 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13007:64: note: in expansion of macro ‘SWIG_fail’
13007 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13009:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13009 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13009:64: note: in expansion of macro ‘SWIG_fail’
13009 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13118:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13118 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___delitem__", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13118:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13118 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___delitem__", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13122:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13122 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13122:64: note: in expansion of macro ‘SWIG_fail’
13122 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13146:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13146 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___getitem__", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13146:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13146 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___getitem__", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13150:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13150:64: note: in expansion of macro ‘SWIG_fail’
13150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13177:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13177 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___setitem__", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13177:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13177 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___setitem__", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13179:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13179 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13179:64: note: in expansion of macro ‘SWIG_fail’
13179 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13185:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13185 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13185:64: note: in expansion of macro ‘SWIG_fail’
13185 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBInternalCoord__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13209:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13209 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13209:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13209 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBInternalCoord(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13244:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13244 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13244:64: note: in expansion of macro ‘SWIG_fail’
13244 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13248:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13248 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13248:64: note: in expansion of macro ‘SWIG_fail’
13248 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13250:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13250 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13250:64: note: in expansion of macro ‘SWIG_fail’
13250 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_pairUIntUInt__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13304:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13304 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13304:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13304 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_pairUIntUInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13306:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13306 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_pairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13306:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13306 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_pairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13308:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13308 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13308:64: note: in expansion of macro ‘SWIG_fail’
13308 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13310:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13310 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13310:64: note: in expansion of macro ‘SWIG_fail’
13310 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13312:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13312 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13312:64: note: in expansion of macro ‘SWIG_fail’
13312 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13487:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13487 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13487:64: note: in expansion of macro ‘SWIG_fail’
13487 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13489:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13489:64: note: in expansion of macro ‘SWIG_fail’
13489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13605:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13605 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13605:64: note: in expansion of macro ‘SWIG_fail’
13605 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13633:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13633 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13633:64: note: in expansion of macro ‘SWIG_fail’
13633 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13660:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13660 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13660:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13660 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13664:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13664 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13664:64: note: in expansion of macro ‘SWIG_fail’
13664 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13669:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13669 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13669:64: note: in expansion of macro ‘SWIG_fail’
13669 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vpairUIntUInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13693:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13693 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13693:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13693 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vpairUIntUInt__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13705:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13705 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13705:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13705 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vpairUIntUInt__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13715:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13715 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13715:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13715 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13726:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13726 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13726:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13726 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vpairUIntUInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13728:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13728 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vpairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13728:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13728 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vpairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13730:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13730 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13730:64: note: in expansion of macro ‘SWIG_fail’
13730 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13734:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13734 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13734:64: note: in expansion of macro ‘SWIG_fail’
13734 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13736:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13736 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13736:64: note: in expansion of macro ‘SWIG_fail’
13736 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13874:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13874 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13874:64: note: in expansion of macro ‘SWIG_fail’
13874 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13876:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13876 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13876:64: note: in expansion of macro ‘SWIG_fail’
13876 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13992:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13992 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13992:64: note: in expansion of macro ‘SWIG_fail’
13992 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14021:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14021 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14021:64: note: in expansion of macro ‘SWIG_fail’
14021 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14048:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14048 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14048:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14048 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14052:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14052 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14052:64: note: in expansion of macro ‘SWIG_fail’
14052 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14057:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14057 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14057:64: note: in expansion of macro ‘SWIG_fail’
14057 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_append(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14094:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14094 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14094:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14094 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vvpairUIntUInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14105:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14105 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14105:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14105 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14114:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14114 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14114:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14114 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_rbegin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14180:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14180 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14180:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14180 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_rend(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14192:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14192 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14192:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14192 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vvpairUIntUInt__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14223:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14223 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14223:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14223 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_erase(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14303:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14303 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_erase", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14303:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14303 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_erase", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14305:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14305 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14305:64: note: in expansion of macro ‘SWIG_fail’
14305 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14307:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14307 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14307:64: note: in expansion of macro ‘SWIG_fail’
14307 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vvpairUIntUInt__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14317:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14317 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14317:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14317 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14328:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14328 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14328:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14328 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vvpairUIntUInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14330:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14330 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vvpairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14330:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14330 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vvpairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14332:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14332 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14332:64: note: in expansion of macro ‘SWIG_fail’
14332 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14336:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14336 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14336:64: note: in expansion of macro ‘SWIG_fail’
14336 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14338:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14338 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14338:64: note: in expansion of macro ‘SWIG_fail’
14338 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_push_back(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14362:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14362 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14362:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14362 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_front(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14367:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14367 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14367:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14367 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_back(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14380:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14380 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14380:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14380 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_assign(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14410:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14410 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14410:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14410 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_resize__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14432:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14432 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14432:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14432 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_resize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14434:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14434 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_resize", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14434:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14434 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_resize", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14436:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14436:64: note: in expansion of macro ‘SWIG_fail’
14436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14438:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14438 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14438:64: note: in expansion of macro ‘SWIG_fail’
14438 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_insert__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14473:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14473 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14473:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14473 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_insert__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14504:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14504 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14504:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14504 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_insert(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14506:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14506 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_insert", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14506:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14506 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_insert", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14508:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14508 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14508:64: note: in expansion of macro ‘SWIG_fail’
14508 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14510:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14510:64: note: in expansion of macro ‘SWIG_fail’
14510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGlobalDataBase_SetReadDirectory(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14809:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14809 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14809:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14809 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGlobalDataBase_SetEnvironmentVariable(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14820:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14820 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14820:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14820 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGlobalDataBase_ParseLine(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14831:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14831 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14831:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14831 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAtomHOF(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14847:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14847 |   if (!SWIG_Python_UnpackTuple(args, "new_OBAtomHOF", 8, 8, swig_obj)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14847:83: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14847 |   if (!SWIG_Python_UnpackTuple(args, "new_OBAtomHOF", 8, 8, swig_obj)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                                                                   ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBAtomHOF(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14874:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14874 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14874:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14874 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_SetFromType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15029:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15029 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15029:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15029 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_SetToType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15041:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15041 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15041:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15041 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_Translate__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15056:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15056 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15056:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15056 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15057:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15057 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15057:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15057 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_Translate__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15076:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15076 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15076:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15076 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_Translate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15092:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15092 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTypeTable_Translate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15092:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15092 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTypeTable_Translate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15094:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15094 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15094:64: note: in expansion of macro ‘SWIG_fail’
15094 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15096:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15096 |     if (!_v) goto check_2; { int res = SWIG_AsPtr_std_string(argv[2], (std::string**)(0)); _v = SWIG_CheckState(res);}
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15096:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15096 |     if (!_v) goto check_2; { int res = SWIG_AsPtr_std_string(argv[2], (std::string**)(0)); _v = SWIG_CheckState(res);}
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15097:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15097 |     if (!_v) goto check_2; return _wrap_OBTypeTable_Translate__SWIG_1(self, argc, argv);}  check_2: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15097:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15097 |     if (!_v) goto check_2; return _wrap_OBTypeTable_Translate__SWIG_1(self, argc, argv);}  check_2: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15099:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15099 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15099:64: note: in expansion of macro ‘SWIG_fail’
15099 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_SetResName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15157:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15157 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15157:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15157 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_LookupBO__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15170:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15170 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15170:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15170 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_LookupBO__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15189:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15189 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15189:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15189 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15190:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15190 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15190:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15190 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_LookupBO(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15192:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15192 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidueData_LookupBO", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15192:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15192 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidueData_LookupBO", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15194:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15194 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15194:64: note: in expansion of macro ‘SWIG_fail’
15194 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15196:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15196 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15196:64: note: in expansion of macro ‘SWIG_fail’
15196 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_LookupType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15223:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15223 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15223:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15223 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSqrtTbl(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15326:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15326 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSqrtTbl", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15326:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15326 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSqrtTbl", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15329:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15329 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15329:64: note: in expansion of macro ‘SWIG_fail’
15329 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBSqrtTbl(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15335:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15335 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15335:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15335 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vector3__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15426:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15426 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15426:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15426 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vector3__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15438:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15438 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15438:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15438 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vector3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15456:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15456 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vector3", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15456:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15456 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vector3", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15463:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15463 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15463:64: note: in expansion of macro ‘SWIG_fail’
15463 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15466:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15466 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15466:64: note: in expansion of macro ‘SWIG_fail’
15466 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_vector3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15474:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15474 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15474:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15474 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_begin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15502:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15502 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_begin", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15502:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15502 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_begin", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15505:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15505 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15505:64: note: in expansion of macro ‘SWIG_fail’
15505 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_end(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15518:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15518 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_end", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15518:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15518 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_end", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15521:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15521 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15521:64: note: in expansion of macro ‘SWIG_fail’
15521 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_Set__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15527:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15527 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15527:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15527 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_Set(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15550:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15550 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_Set", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15550:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15550 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_Set", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15553:64: note: in expansion of macro ‘SWIG_fail’
15553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3___iadd__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15669:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___iadd__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15669:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___iadd__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15671:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15671 |      if (!_v) goto check_1; return _wrap_vector3___iadd____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15671:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15671 |      if (!_v) goto check_1; return _wrap_vector3___iadd____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15673:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15673:64: note: in expansion of macro ‘SWIG_fail’
15673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3___isub__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15690:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15690 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___isub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15690:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15690 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___isub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15692:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15692 |      if (!_v) goto check_1; return _wrap_vector3___isub____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15692:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15692 |      if (!_v) goto check_1; return _wrap_vector3___isub____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15694:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15694 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15694:64: note: in expansion of macro ‘SWIG_fail’
15694 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3___imul__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15740:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15740 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___imul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15740:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15740 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___imul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15744:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15744 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15744:64: note: in expansion of macro ‘SWIG_fail’
15744 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_randomUnitVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15750:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15750 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15750:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15750 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_x__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15786:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15786 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15786:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15786 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_y__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15793:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15793 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15793:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15793 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_z__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15800:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15800 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15800:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15800 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_x__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15807:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15807 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15807:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15807 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_x(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15813:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15813 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_x", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15813:84: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15813 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_x", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15816:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15816 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15816:64: note: in expansion of macro ‘SWIG_fail’
15816 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_y__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15821:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15821 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15821:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15821 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_y(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15827:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15827 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_y", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15827:84: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15827 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_y", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15830:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15830 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15830:64: note: in expansion of macro ‘SWIG_fail’
15830 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_z__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15835:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15835 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15835:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15835 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_z(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15841:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15841 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_z", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15841:84: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15841 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_z", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15844:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15844 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15844:64: note: in expansion of macro ‘SWIG_fail’
15844 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_Point2Plane(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16165:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16165 |   if (!SWIG_Python_UnpackTuple(args, "Point2Plane", 4, 4, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16165:81: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16165 |   if (!SWIG_Python_UnpackTuple(args, "Point2Plane", 4, 4, swig_obj)) SWIG_fail; {
      |                                                                                 ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_Point2PlaneAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16195:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16195 |   if (!SWIG_Python_UnpackTuple(args, "Point2PlaneAngle", 4, 4, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16195:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16195 |   if (!SWIG_Python_UnpackTuple(args, "Point2PlaneAngle", 4, 4, swig_obj)) SWIG_fail; {
      |                                                                                      ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_matrix3x3__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16262:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16262 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16262:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16262 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_matrix3x3__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16270:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16270 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16270:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16270 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_matrix3x3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16302:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16302 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_matrix3x3", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16302:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16302 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_matrix3x3", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16309:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16309 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16309:64: note: in expansion of macro ‘SWIG_fail’
16309 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_matrix3x3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16316:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16316 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16316:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16316 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_matrix3x3___call__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16360:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16360 |   if (!(argc = SWIG_Python_UnpackTuple(args, "matrix3x3___call__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16360:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16360 |   if (!(argc = SWIG_Python_UnpackTuple(args, "matrix3x3___call__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16362:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16362 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16362:64: note: in expansion of macro ‘SWIG_fail’
16362 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16364:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16364 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16364:64: note: in expansion of macro ‘SWIG_fail’
16364 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap___mul__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16633:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16633 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__mul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16633:82: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16633 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__mul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16635:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16635 |      if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[1], NULL); _v = SWIG_CheckState(res); } }
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16635:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16635 |      if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[1], NULL); _v = SWIG_CheckState(res); } }
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16636:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16636 |     if (!_v) goto check_1; return _wrap___mul____SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16636:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16636 |     if (!_v) goto check_1; return _wrap___mul____SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16640:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16640 |      if (!_v) goto check_2; return _wrap___mul____SWIG_2(self, argc, argv);}  check_2: if (argc == 2) { int _v = 0; {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16640:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16640 |      if (!_v) goto check_2; return _wrap___mul____SWIG_2(self, argc, argv);}  check_2: if (argc == 2) { int _v = 0; {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16646:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16646 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16646:64: note: in expansion of macro ‘SWIG_fail’
16646 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_transform3d__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16716:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16716 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16716:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16716 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_transform3d__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16755:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16755 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_a_3__double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16755:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16755 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_a_3__double, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_transform3d(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16766:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16766 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_transform3d", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16766:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16766 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_transform3d", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16768:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16768 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16768:64: note: in expansion of macro ‘SWIG_fail’
16768 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16770:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16770 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16770:64: note: in expansion of macro ‘SWIG_fail’
16770 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16774:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16774 |      if (!_v) goto check_3; return _wrap_new_transform3d__SWIG_1(self, argc, argv);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16774:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16774 |      if (!_v) goto check_3; return _wrap_new_transform3d__SWIG_1(self, argc, argv);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16776:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16776 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16776:64: note: in expansion of macro ‘SWIG_fail’
16776 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16778:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16778 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16778:64: note: in expansion of macro ‘SWIG_fail’
16778 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_transform3d___mul__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16818:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16818 |   if (!(argc = SWIG_Python_UnpackTuple(args, "transform3d___mul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16818:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16818 |   if (!(argc = SWIG_Python_UnpackTuple(args, "transform3d___mul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16822:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16822 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16822:64: note: in expansion of macro ‘SWIG_fail’
16822 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_SetHMName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16889:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16889 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16889:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16889 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_SetHallName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16900:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16900 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16900:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16900 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_AddTransform(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16924:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16924 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16924:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16924 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_GetSpaceGroup__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17013:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17013 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17013:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17013 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_GetSpaceGroup__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17016:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17016 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17016:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17016 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17023:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17023 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17023:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17023 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_GetSpaceGroup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17039:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17039 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17039:64: note: in expansion of macro ‘SWIG_fail’
17039 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBBitVec(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17135:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17135 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBBitVec", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17135:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17135 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBBitVec", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17141:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17141 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17141:64: note: in expansion of macro ‘SWIG_fail’
17141 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_FirstBit(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17223:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17223 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBitVec_FirstBit", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17223:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17223 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBitVec_FirstBit", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17225:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17225 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17225:64: note: in expansion of macro ‘SWIG_fail’
17225 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17227:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17227 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17227:64: note: in expansion of macro ‘SWIG_fail’
17227 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_FromVecInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17317:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17317 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17317:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17317 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_FromString(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17332:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17332 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17332:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17332 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_Clear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17348:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17348 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17348:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17348 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_Negate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17355:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17355 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17355:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17355 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec___ior__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17416:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17416 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBitVec___ior__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17416:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17416 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBitVec___ior__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17420:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17420 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17420:64: note: in expansion of macro ‘SWIG_fail’
17420 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap___sub__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17538:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17538 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__sub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17538:82: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17538 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__sub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17542:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17542 |      if (!_v) goto check_2; { int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_NO_NULL | 0);
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17542:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17542 |      if (!_v) goto check_2; { int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_NO_NULL | 0);
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17545:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17545 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17545:64: note: in expansion of macro ‘SWIG_fail’
17545 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBBitVec(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17616:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17616 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17616:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17616 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBGenericData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17654:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17654 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17654:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17654 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBGenericData__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17680:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17680 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17680:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17680 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBGenericData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17693:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17693 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBGenericData", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17693:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17693 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBGenericData", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17695:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17695 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17695:64: note: in expansion of macro ‘SWIG_fail’
17695 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17697:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17697 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17697:64: note: in expansion of macro ‘SWIG_fail’
17697 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17699:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17699 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17699:64: note: in expansion of macro ‘SWIG_fail’
17699 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17701:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17701 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17701:64: note: in expansion of macro ‘SWIG_fail’
17701 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGenericData_SetAttribute(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17742:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17742 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17742:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17742 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBBase(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17799:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17799 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17799:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17799 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17853:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17853 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_GetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17853:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17853 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_GetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17855:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17855 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17855:64: note: in expansion of macro ‘SWIG_fail’
17855 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17857:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17857 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17857:64: note: in expansion of macro ‘SWIG_fail’
17857 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_SetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17871:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17871 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17871:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17871 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_HasData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17884:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17884 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17884:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17884 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_HasData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17888:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17888 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17888:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17888 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17896:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17896 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17896:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17896 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_HasData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17908:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17908 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_HasData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; { {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17908:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17908 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_HasData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; { {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17914:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17914 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17914:64: note: in expansion of macro ‘SWIG_fail’
17914 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_DeleteData__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17965:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17965 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17965:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17965 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_DeleteData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17967:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17967 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_DeleteData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17967:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17967 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_DeleteData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17974:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17974 |     if (!_v) goto check_3; return _wrap_OBBase_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17974:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17974 |     if (!_v) goto check_3; return _wrap_OBBase_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17976:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17976 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17976:64: note: in expansion of macro ‘SWIG_fail’
17976 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18003:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18003 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18003:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18003 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18015:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18015 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18015:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18015 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18025:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18025 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18025:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18025 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18029:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18029 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18029:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18029 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18037:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18037 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18037:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18037 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18054:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18054 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18054:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18054 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18065:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18065 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18065:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18065 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18074:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18074 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_GetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18074:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18074 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_GetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18076:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18076 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18076:64: note: in expansion of macro ‘SWIG_fail’
18076 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18084:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18084 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18084:64: note: in expansion of macro ‘SWIG_fail’
18084 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBCommentData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18138:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18138 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBCommentData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18138:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18138 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBCommentData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18140:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18140 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18140:64: note: in expansion of macro ‘SWIG_fail’
18140 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18142:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18142 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18142:64: note: in expansion of macro ‘SWIG_fail’
18142 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBCommentData_SetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18157:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18157 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18157:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18157 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBCommentData_SetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18168:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18168 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18168:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18168 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBCommentData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18170:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18170 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBCommentData_SetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18170:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18170 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBCommentData_SetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18172:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18172 |     if (!_v) goto check_1; return _wrap_OBCommentData_SetData__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18172:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18172 |     if (!_v) goto check_1; return _wrap_OBCommentData_SetData__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18174:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18174 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18174:64: note: in expansion of macro ‘SWIG_fail’
18174 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBExternalBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18214:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18214 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18214:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18214 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBExternalBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18237:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18237 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBExternalBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18237:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18237 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBExternalBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18239:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18239:64: note: in expansion of macro ‘SWIG_fail’
18239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18241:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18241:64: note: in expansion of macro ‘SWIG_fail’
18241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18243:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18243 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18243:64: note: in expansion of macro ‘SWIG_fail’
18243 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPairData_SetValue__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18393:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18393 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18393:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18393 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPairData_SetValue__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18405:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18405 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18405:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18405 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPairData_SetValue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18407:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18407 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPairData_SetValue", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18407:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18407 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPairData_SetValue", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18409:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18409 |     if (!_v) goto check_1; return _wrap_OBPairData_SetValue__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18409:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18409 |     if (!_v) goto check_1; return _wrap_OBPairData_SetValue__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18411:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18411 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18411:64: note: in expansion of macro ‘SWIG_fail’
18411 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18476:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18476 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18476:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18476 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18490:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18490 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18490:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18490 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18502:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18502 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSetData_GetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18502:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18502 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSetData_GetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18504:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18504 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18504:64: note: in expansion of macro ‘SWIG_fail’
18504 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18508:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18508 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18508:64: note: in expansion of macro ‘SWIG_fail’
18508 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetBegin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18515:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18515 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18515:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18515 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetEnd(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18524:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18524 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18524:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18524 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBSetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18543:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18543 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18543:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18543 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBVirtualBond__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18583:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18583 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18583:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18583 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBVirtualBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18593:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18593 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBVirtualBond", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18593:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18593 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBVirtualBond", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18595:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18595 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18595:64: note: in expansion of macro ‘SWIG_fail’
18595 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18597:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18597 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18597:64: note: in expansion of macro ‘SWIG_fail’
18597 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18599:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18599 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18599:64: note: in expansion of macro ‘SWIG_fail’
18599 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBRingData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18668:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18668 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBRingData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18668:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18668 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBRingData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18670:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18670 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18670:64: note: in expansion of macro ‘SWIG_fail’
18670 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18672:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18672 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18672:64: note: in expansion of macro ‘SWIG_fail’
18672 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBUnitCell(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18799:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18799 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBUnitCell", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18799:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18799 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBUnitCell", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18801:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18801 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18801:64: note: in expansion of macro ‘SWIG_fail’
18801 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18803:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18803 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18803:64: note: in expansion of macro ‘SWIG_fail’
18803 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18877:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18877 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_SetData", 0, 7, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18877:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18877 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_SetData", 0, 7, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18879:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18879:64: note: in expansion of macro ‘SWIG_fail’
18879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18881:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18881 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 7) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18881:64: note: in expansion of macro ‘SWIG_fail’
18881 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 7) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18883:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18883 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18883:64: note: in expansion of macro ‘SWIG_fail’
18883 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_SetSpaceGroup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18939:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18939 |     if (!_v) goto check_2; return _wrap_OBUnitCell_SetSpaceGroup__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18939:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18939 |     if (!_v) goto check_2; return _wrap_OBUnitCell_SetSpaceGroup__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18941:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18941 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18941:64: note: in expansion of macro ‘SWIG_fail’
18941 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetA(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18983:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18983 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetA", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18983:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18983 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetA", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18985:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18985 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18985:64: note: in expansion of macro ‘SWIG_fail’
18985 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18987:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18987 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18987:64: note: in expansion of macro ‘SWIG_fail’
18987 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetB(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19006:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19006 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetB", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19006:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19006 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetB", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19008:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19008 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19008:64: note: in expansion of macro ‘SWIG_fail’
19008 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19010:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19010 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19010:64: note: in expansion of macro ‘SWIG_fail’
19010 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetC(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19029:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19029 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetC", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19029:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19029 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetC", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19031:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19031 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19031:64: note: in expansion of macro ‘SWIG_fail’
19031 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19033:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19033 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19033:64: note: in expansion of macro ‘SWIG_fail’
19033 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetAlpha(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19053:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19053 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetAlpha", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19053:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19053 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetAlpha", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19055:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19055 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19055:64: note: in expansion of macro ‘SWIG_fail’
19055 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19057:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19057 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19057:64: note: in expansion of macro ‘SWIG_fail’
19057 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetBeta(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19076:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19076 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetBeta", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19076:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19076 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetBeta", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19078:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19078 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19078:64: note: in expansion of macro ‘SWIG_fail’
19078 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19080:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19080:64: note: in expansion of macro ‘SWIG_fail’
19080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetGamma(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19100:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19100 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetGamma", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19100:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19100 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetGamma", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19102:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19102 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19102:64: note: in expansion of macro ‘SWIG_fail’
19102 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19104:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19104 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19104:64: note: in expansion of macro ‘SWIG_fail’
19104 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetOffset(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19125:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19125 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetOffset", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19125:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19125 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetOffset", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19127:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19127 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19127:64: note: in expansion of macro ‘SWIG_fail’
19127 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19129:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19129 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19129:64: note: in expansion of macro ‘SWIG_fail’
19129 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetSpaceGroup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19153:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19153 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19153:64: note: in expansion of macro ‘SWIG_fail’
19153 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19155:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19155:64: note: in expansion of macro ‘SWIG_fail’
19155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetSpaceGroupName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19177:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19177 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19177:64: note: in expansion of macro ‘SWIG_fail’
19177 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19179:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19179 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19179:64: note: in expansion of macro ‘SWIG_fail’
19179 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetLatticeType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19225:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19225 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19225:64: note: in expansion of macro ‘SWIG_fail’
19225 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19227:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19227 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19227:64: note: in expansion of macro ‘SWIG_fail’
19227 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19229:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19229 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19229:64: note: in expansion of macro ‘SWIG_fail’
19229 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19231:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19231 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19231:64: note: in expansion of macro ‘SWIG_fail’
19231 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetCellVectors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19257:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19257 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19257:64: note: in expansion of macro ‘SWIG_fail’
19257 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19259:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19259 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19259:64: note: in expansion of macro ‘SWIG_fail’
19259 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetCellMatrix(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19282:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19282 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19282:64: note: in expansion of macro ‘SWIG_fail’
19282 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19284:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19284:64: note: in expansion of macro ‘SWIG_fail’
19284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetOrthoMatrix(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19307:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19307 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19307:64: note: in expansion of macro ‘SWIG_fail’
19307 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19309:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19309 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19309:64: note: in expansion of macro ‘SWIG_fail’
19309 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetOrientationMatrix(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19332:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19332 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetOrientationMatrix", 0, 1, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19332:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19332 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetOrientationMatrix", 0, 1, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19334:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19334 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19334:64: note: in expansion of macro ‘SWIG_fail’
19334 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19336:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19336 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19336:64: note: in expansion of macro ‘SWIG_fail’
19336 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetFractionalMatrix(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19359:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19359 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetFractionalMatrix", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19359:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19359 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetFractionalMatrix", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19361:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19361 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19361:64: note: in expansion of macro ‘SWIG_fail’
19361 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19363:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19363 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19363:64: note: in expansion of macro ‘SWIG_fail’
19363 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_FractionalToCartesian(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19400:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19400 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_FractionalToCartesian", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19400:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19400 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_FractionalToCartesian", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19402:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19402 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19402:64: note: in expansion of macro ‘SWIG_fail’
19402 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19404:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19404 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19404:64: note: in expansion of macro ‘SWIG_fail’
19404 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_CartesianToFractional(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19441:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19441 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_CartesianToFractional", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19441:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19441 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_CartesianToFractional", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19443:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19443 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19443:64: note: in expansion of macro ‘SWIG_fail’
19443 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19445:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19445 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19445:64: note: in expansion of macro ‘SWIG_fail’
19445 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_WrapCartesianCoordinate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19482:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19482 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_WrapCartesianCoordinate", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19482:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19482 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_WrapCartesianCoordinate", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19484:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19484 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19484:64: note: in expansion of macro ‘SWIG_fail’
19484 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19486:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19486 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19486:64: note: in expansion of macro ‘SWIG_fail’
19486 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_WrapFractionalCoordinate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19523:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19523 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_WrapFractionalCoordinate", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19523:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19523 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_WrapFractionalCoordinate", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19525:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19525:64: note: in expansion of macro ‘SWIG_fail’
19525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19527:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19527 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19527:64: note: in expansion of macro ‘SWIG_fail’
19527 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_UnwrapCartesianNear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19576:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19576 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_UnwrapCartesianNear", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19576:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19576 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_UnwrapCartesianNear", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19578:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19578 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19578:64: note: in expansion of macro ‘SWIG_fail’
19578 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19580:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19580 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19580:64: note: in expansion of macro ‘SWIG_fail’
19580 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_UnwrapFractionalNear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19630:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19630 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_UnwrapFractionalNear", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19630:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19630 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_UnwrapFractionalNear", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19632:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19632 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19632:64: note: in expansion of macro ‘SWIG_fail’
19632 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19634:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19634 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19634:64: note: in expansion of macro ‘SWIG_fail’
19634 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_MinimumImageCartesian(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19672:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19672 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_MinimumImageCartesian", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19672:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19672 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_MinimumImageCartesian", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19674:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19674 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19674:64: note: in expansion of macro ‘SWIG_fail’
19674 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19676:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19676 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19676:64: note: in expansion of macro ‘SWIG_fail’
19676 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_MinimumImageFractional(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19713:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19713 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_MinimumImageFractional", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19713:108: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19713 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_MinimumImageFractional", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19715:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19715 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19715:64: note: in expansion of macro ‘SWIG_fail’
19715 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19717:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19717 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19717:64: note: in expansion of macro ‘SWIG_fail’
19717 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetSpaceGroupNumber(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19759:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19759 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetSpaceGroupNumber", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19759:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19759 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetSpaceGroupNumber", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19761:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19761:64: note: in expansion of macro ‘SWIG_fail’
19761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19763:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19763:64: note: in expansion of macro ‘SWIG_fail’
19763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19765:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19765 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19765:64: note: in expansion of macro ‘SWIG_fail’
19765 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19767:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19767:64: note: in expansion of macro ‘SWIG_fail’
19767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetCellVolume(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19790:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19790 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19790:64: note: in expansion of macro ‘SWIG_fail’
19790 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19792:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19792 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19792:64: note: in expansion of macro ‘SWIG_fail’
19792 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConformerData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19824:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19824 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBConformerData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19824:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19824 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBConformerData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19826:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19826 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19826:64: note: in expansion of macro ‘SWIG_fail’
19826 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19828:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19828 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19828:64: note: in expansion of macro ‘SWIG_fail’
19828 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSymmetryData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20000:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20000 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSymmetryData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20000:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20000 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSymmetryData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20002:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20002 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20002:64: note: in expansion of macro ‘SWIG_fail’
20002 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20004:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20004 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20004:64: note: in expansion of macro ‘SWIG_fail’
20004 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSymmetryData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20040:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSymmetryData_SetData", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20040:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSymmetryData_SetData", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20042:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20042:64: note: in expansion of macro ‘SWIG_fail’
20042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20044:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20044:64: note: in expansion of macro ‘SWIG_fail’
20044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20107:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20107 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBTorsion", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20107:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20107 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBTorsion", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20114:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20114 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20114:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20114 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsion_Clear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20122:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20122 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20122:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20122 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsion_AddTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20174:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20174 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_AddTorsion", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20174:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20174 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_AddTorsion", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20176:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20176 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20176:64: note: in expansion of macro ‘SWIG_fail’
20176 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20178:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20178 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20178:64: note: in expansion of macro ‘SWIG_fail’
20178 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsion_SetAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20208:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20208 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_SetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20208:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20208 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_SetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20210:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20210 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20210:64: note: in expansion of macro ‘SWIG_fail’
20210 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20212:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20212 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20212:64: note: in expansion of macro ‘SWIG_fail’
20212 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsion_GetAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20256:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20256 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_GetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20256:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20256 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_GetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20258:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20258 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20258:64: note: in expansion of macro ‘SWIG_fail’
20258 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20260:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20260 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20260:64: note: in expansion of macro ‘SWIG_fail’
20260 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsionData_GetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20324:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20324 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20324:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20324 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20394:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20394 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAngle", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20394:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20394 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAngle", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20401:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20401 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20401:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20401 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAngle_Clear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20424:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20424 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAngle, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20424:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20424 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAngle, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAngle_SetAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20479:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20479 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAngle_SetAtoms", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20479:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20479 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAngle_SetAtoms", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20481:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20481 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20481:64: note: in expansion of macro ‘SWIG_fail’
20481 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20483:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20483:64: note: in expansion of macro ‘SWIG_fail’
20483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAngleData_FillAngleArray(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20543:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20543 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20543:64: note: in expansion of macro ‘SWIG_fail’
20543 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20545:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20545 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20545:64: note: in expansion of macro ‘SWIG_fail’
20545 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSerialNums(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20602:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20602 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSerialNums", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20602:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20602 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSerialNums", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20604:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20604 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20604:64: note: in expansion of macro ‘SWIG_fail’
20604 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20606:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20606 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20606:64: note: in expansion of macro ‘SWIG_fail’
20606 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBVibrationData_SetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20696:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20696 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20696:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20696 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20697:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20697 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20697:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20697 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBVibrationData_SetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20731:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20731 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20731:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20731 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20732:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20732 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20732:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20732 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20733:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20733 |   if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20733:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20733 |   if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBVibrationData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20735:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20735 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBVibrationData_SetData", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20735:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20735 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBVibrationData_SetData", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20737:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20737 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20737:64: note: in expansion of macro ‘SWIG_fail’
20737 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20739:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20739 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20739:64: note: in expansion of macro ‘SWIG_fail’
20739 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBDOSData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20807:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20807 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20807:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20807 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDOSData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20843:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20843 |   if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20843:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20843 |   if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20844:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20844 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20844:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20844 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOrbital_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20927:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOrbital_SetData", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20927:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOrbital_SetData", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20929:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20929:64: note: in expansion of macro ‘SWIG_fail’
20929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20931:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20931:64: note: in expansion of macro ‘SWIG_fail’
20931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20933:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20933 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20933:64: note: in expansion of macro ‘SWIG_fail’
20933 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBOrbital(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20966:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20966 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20966:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20966 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOrbitalData_SetHOMO(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21054:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21054 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOrbitalData_SetHOMO", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21054:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21054 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOrbitalData_SetHOMO", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21056:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21056 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21056:64: note: in expansion of macro ‘SWIG_fail’
21056 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21058:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21058 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21058:64: note: in expansion of macro ‘SWIG_fail’
21058 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOrbitalData_GetAlphaOrbitals(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21097:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21097 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21097:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21097 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOrbitalData_GetBetaOrbitals(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21106:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21106 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21106:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21106 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_SetEDipole(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21234:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21234 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21234:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21234 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_SetRotatoryStrengthsVelocity(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21250:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21250 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21250:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21250 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_SetRotatoryStrengthsLength(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21266:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21266 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21266:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21266 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_GetRotatoryStrengthsVelocity(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21300:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21300 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21300:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21300 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_GetRotatoryStrengthsLength(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21310:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21310 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21310:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21310 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBVectorData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21438:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21438 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBVectorData_SetData", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21438:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21438 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBVectorData_SetData", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21440:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21440 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21440:64: note: in expansion of macro ‘SWIG_fail’
21440 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21442:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21442 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21442:64: note: in expansion of macro ‘SWIG_fail’
21442 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBFreeGridPoint(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21533:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21533 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBFreeGridPoint", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21533:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21533 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBFreeGridPoint", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21535:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21535 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21535:64: note: in expansion of macro ‘SWIG_fail’
21535 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21537:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21537 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21537:64: note: in expansion of macro ‘SWIG_fail’
21537 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBPcharge(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21741:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21741 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21741:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21741 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_GetAxes(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21951:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21951 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_GetAxes", 0, 4, argv))) SWIG_fail; --argc; if (argc == 4) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21951:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21951 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_GetAxes", 0, 4, argv))) SWIG_fail; --argc; if (argc == 4) { int _v = 0;
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21953:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21953 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_double, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21953:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21953 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_double, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21958:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21958 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21958:64: note: in expansion of macro ‘SWIG_fail’
21958 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_GetNumberOfPoints(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21996:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21996 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21996:64: note: in expansion of macro ‘SWIG_fail’
21996 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21998:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21998 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21998:64: note: in expansion of macro ‘SWIG_fail’
21998 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_GetValue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22052:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22052 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_GetValue", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22052:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22052 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_GetValue", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22054:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22054 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22054:64: note: in expansion of macro ‘SWIG_fail’
22054 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22056:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22056 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22056:64: note: in expansion of macro ‘SWIG_fail’
22056 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_GetOriginVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22105:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22105:64: note: in expansion of macro ‘SWIG_fail’
22105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22107:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22107:64: note: in expansion of macro ‘SWIG_fail’
22107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_SetLimits(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22203:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22203 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_SetLimits", 0, 5, argv))) SWIG_fail; --argc; if (argc == 5) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22203:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22203 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_SetLimits", 0, 5, argv))) SWIG_fail; --argc; if (argc == 5) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22207:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22207 |      if (!_v) goto check_1; { int res = SWIG_ConvertPtr(argv[3], 0, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_NO_NULL | 0);
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22207:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22207 |      if (!_v) goto check_1; { int res = SWIG_ConvertPtr(argv[3], 0, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_NO_NULL | 0);
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22210:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22210 |      if (!_v) goto check_1; return _wrap_OBGridData_SetLimits__SWIG_0(self, argc, argv);}  check_1: if (argc == 5) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22210:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22210 |      if (!_v) goto check_1; return _wrap_OBGridData_SetLimits__SWIG_0(self, argc, argv);}  check_1: if (argc == 5) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22212:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22212 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22212:64: note: in expansion of macro ‘SWIG_fail’
22212 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_SetValues(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22249:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22249 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22249:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22249 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChainsParser_PerceiveChains(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22338:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22338 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBChainsParser_PerceiveChains", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22338:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22338 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBChainsParser_PerceiveChains", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22340:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22340 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22340:64: note: in expansion of macro ‘SWIG_fail’
22340 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22342:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22342 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22342:64: note: in expansion of macro ‘SWIG_fail’
22342 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAtomTyper(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22384:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22384 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAtomTyper", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22384:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22384 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAtomTyper", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22386:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22386 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22386:64: note: in expansion of macro ‘SWIG_fail’
22386 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22388:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22388 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22388:64: note: in expansion of macro ‘SWIG_fail’
22388 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_dummy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22531:8: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22531 |   std::binary_function< char const *,char const *,bool > *result = 0 ; (void)self;
      |        ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22533:18: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22533 |   result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                  ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22533:79: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22533 |   result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                                                                               ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_dummy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22537:8: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22537 |   std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *) 0 ;
      |        ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22537:72: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22537 |   std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *) 0 ;
      |                                                                        ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22542:34: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22542 |    arg1 = reinterpret_cast< std::binary_function< char const *,char const *,bool > * >(argp1); delete arg1;
      |                                  ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CharPtrLess___call__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22571:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22571 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22571:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22571 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22572:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22572 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22572:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22572 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBPlugin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22599:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22599 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22599:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22599 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Display__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22638:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22638 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22638:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22638 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22639:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22639 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22639:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22639 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Display__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22656:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22656 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22656:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22656 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Display(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22658:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22658 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22658:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22658 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22660:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22660 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22660:64: note: in expansion of macro ‘SWIG_fail’
22660 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22662:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22662 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22662:64: note: in expansion of macro ‘SWIG_fail’
22662 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_MakeInstance(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22681:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22681 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22681:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22681 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Init(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22684:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22684 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBPlugin, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22684:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22684 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBPlugin, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_GetPlugin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22701:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22701 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22701:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22701 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22702:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22702 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22702:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22702 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_ListAsVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22728:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22728 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22728:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22728 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22729:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22729 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22729:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22729 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_List__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22758:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22758 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22758:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22758 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22762:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22762 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22762:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22762 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_List(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22764:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22764 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_List", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22764:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22764 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_List", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22767:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22767:64: note: in expansion of macro ‘SWIG_fail’
22767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_ListAsString__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22783:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22783 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22783:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22783 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22784:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22784 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22784:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22784 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_ListAsString(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22794:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22794 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_ListAsString", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22794:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22794 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_ListAsString", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22796:64: note: in expansion of macro ‘SWIG_fail’
22796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22798:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22798:64: note: in expansion of macro ‘SWIG_fail’
22798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_FirstLine(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22804:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22804 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22804:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22804 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Begin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22818:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22818 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22818:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22818 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_End(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22827:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22827 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22827:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22827 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_LoadAllPlugins(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22838:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22838 |   if (!SWIG_Python_UnpackTuple(args, "OBPlugin_LoadAllPlugins", 0, 0, 0)) SWIG_fail; OpenBabel::OBPlugin::LoadAllPlugins();
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22838:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22838 |   if (!SWIG_Python_UnpackTuple(args, "OBPlugin_LoadAllPlugins", 0, 0, 0)) SWIG_fail; OpenBabel::OBPlugin::LoadAllPlugins();
      |                                                                                      ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_stringbuf(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22854:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22854 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22854:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22854 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22874:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22874 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22874:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22874 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22904:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22904 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22904:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22904 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22905:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22905 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22905:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22905 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22906:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22906 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22906:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22906 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22907:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22907 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22907:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22907 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22939:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22939 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22939:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22939 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22940:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22940 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22940:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22940 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22941:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22941 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22941:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22941 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22942:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22942 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22942:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22942 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22946:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22946 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22946:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22946 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22969:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22969 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22969:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22969 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22970:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22970 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22970:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22970 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22971:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22971 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22971:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22971 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22993:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22993 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22993:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22993 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22995:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22995 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22995:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22995 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23011:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23011 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23011:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23011 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23012:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23012 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23012:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23012 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_5(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23015:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23015 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23015:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23015 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23022:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23022 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23022:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23022 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23029:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23029 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBError", 0, 6, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23029:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23029 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBError", 0, 6, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23032:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23032 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23032:64: note: in expansion of macro ‘SWIG_fail’
23032 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23035:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23035 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23035:64: note: in expansion of macro ‘SWIG_fail’
23035 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23038:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23038 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23038:64: note: in expansion of macro ‘SWIG_fail’
23038 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap___lshift__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23074:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23074 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__lshift__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23074:85: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23074 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__lshift__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23076:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23076 |      if (!_v) goto check_1; return _wrap___lshift____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23076:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23076 |      if (!_v) goto check_1; return _wrap___lshift____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23083:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23083 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23083:64: note: in expansion of macro ‘SWIG_fail’
23083 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBError(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23146:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23146 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23146:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23146 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMessageHandler_ThrowError__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23229:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23229 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23229:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23229 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23230:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23230 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23230:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23230 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMessageHandler_ThrowError__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23251:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23251 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23251:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23251 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23252:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23252 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23252:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23252 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMessageHandler_ThrowError__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23270:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23270 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23270:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23270 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23271:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23271 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23271:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23271 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMessageHandler_ThrowError(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23275:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23275 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23275:64: note: in expansion of macro ‘SWIG_fail’
23275 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23277:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23277 |      if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23277:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23277 |      if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23280:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23280 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23280:64: note: in expansion of macro ‘SWIG_fail’
23280 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23282:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23282 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23282:64: note: in expansion of macro ‘SWIG_fail’
23282 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23284:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23284:64: note: in expansion of macro ‘SWIG_fail’
23284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_obLogBuf(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23461:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23461 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23461:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23461 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23494:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23494 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23494:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23494 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_RegisterFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23620:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23620 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23620:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23620 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23621:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23621 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23621:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23621 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_RegisterFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23632:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23632 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23632:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23632 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_RegisterFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23634:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23634 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFormat_RegisterFormat", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23634:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23634 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFormat_RegisterFormat", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23636:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23636:64: note: in expansion of macro ‘SWIG_fail’
23636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23638:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23638 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23638:64: note: in expansion of macro ‘SWIG_fail’
23638 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_Display__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23662:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23662 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23662:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23662 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23663:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23663 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23663:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23663 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_Display__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23680:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23680 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23680:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23680 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_Display(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23682:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23682 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFormat_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23682:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23682 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFormat_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23684:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23684 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23684:64: note: in expansion of macro ‘SWIG_fail’
23684 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23686:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23686 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23686:64: note: in expansion of macro ‘SWIG_fail’
23686 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_FormatFromMIME(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23698:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23698 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23698:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23698 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23701:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23701 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23701:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23701 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConversion__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23716:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23716 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__istream, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23716:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23716 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__istream, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConversion__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23740:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23740 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23740:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23740 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConversion__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23752:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23752 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23752:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23752 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConversion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23771:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23771 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBConversion", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23771:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23771 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBConversion", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23773:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23773 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23773:64: note: in expansion of macro ‘SWIG_fail’
23773 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23779:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23779 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23779:64: note: in expansion of macro ‘SWIG_fail’
23779 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23782:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23782 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(self, argc, argv);}  check_5: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23782:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23782 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(self, argc, argv);}  check_5: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23784:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23784 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23784:64: note: in expansion of macro ‘SWIG_fail’
23784 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RegisterFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23814:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23814 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23814:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23814 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23815:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23815 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23815:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23815 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RegisterFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23819:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23819 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23819:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23819 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23828:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23828 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23828:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23828 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RegisterFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23832:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23832 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23832:64: note: in expansion of macro ‘SWIG_fail’
23832 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23834:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23834 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23834:64: note: in expansion of macro ‘SWIG_fail’
23834 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FindFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23847:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23847 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23847:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23847 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FindFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23850:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23850 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23850:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23850 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FindFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23858:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23858 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_FindFormat", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23858:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23858 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_FindFormat", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23860:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23860 |     if (!_v) goto check_1; return _wrap_OBConversion_FindFormat__SWIG_1(self, argc, argv);}  check_1: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23860:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23860 |     if (!_v) goto check_1; return _wrap_OBConversion_FindFormat__SWIG_1(self, argc, argv);}  check_1: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23862:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23862 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23862:64: note: in expansion of macro ‘SWIG_fail’
23862 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromExt__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23874:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23874 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23874:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23874 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromExt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23888:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23888 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23888:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23888 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromExt__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23891:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23891 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23891:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23891 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromExt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23915:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23915 |     if (!_v) goto check_1; return _wrap_OBConversion_FormatFromExt__SWIG_2(self, argc, argv);}  check_1: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23915:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23915 |     if (!_v) goto check_1; return _wrap_OBConversion_FormatFromExt__SWIG_2(self, argc, argv);}  check_1: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23917:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23917:64: note: in expansion of macro ‘SWIG_fail’
23917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23920:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23920 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23920:64: note: in expansion of macro ‘SWIG_fail’
23920 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23922:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23922 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23922:64: note: in expansion of macro ‘SWIG_fail’
23922 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromMIME(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23936:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23936 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23936:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23936 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInStream(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23986:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23986 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23986:64: note: in expansion of macro ‘SWIG_fail’
23986 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23988:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23988 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23988:64: note: in expansion of macro ‘SWIG_fail’
23988 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOutStream(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24019:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24019:64: note: in expansion of macro ‘SWIG_fail’
24019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24021:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24021 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24021:64: note: in expansion of macro ‘SWIG_fail’
24021 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInAndOutFormats__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24045:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24045 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24045:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24045 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24046:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24046 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24046:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24046 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInAndOutFormats__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24064:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24064 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24064:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24064 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24065:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24065 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24065:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24065 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInAndOutFormats__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24080:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24080 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24080:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24080 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24081:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24081 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24081:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24081 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInAndOutFormats(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24137:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24137 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_SetInAndOutFormats", 0, 5, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24137:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24137 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_SetInAndOutFormats", 0, 5, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24141:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24141 |     if (!_v) goto check_1; return _wrap_OBConversion_SetInAndOutFormats__SWIG_5(self, argc, argv);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24141:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24141 |     if (!_v) goto check_1; return _wrap_OBConversion_SetInAndOutFormats__SWIG_5(self, argc, argv);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24143:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24143 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24143:64: note: in expansion of macro ‘SWIG_fail’
24143 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24145:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24145 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24145:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24145 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24148:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24148 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24148:64: note: in expansion of macro ‘SWIG_fail’
24148 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24150:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24150:64: note: in expansion of macro ‘SWIG_fail’
24150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24152:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24152 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24152:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24152 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24155:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_5: if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24155:64: note: in expansion of macro ‘SWIG_fail’
24155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_5: if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24157:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24157 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24157:64: note: in expansion of macro ‘SWIG_fail’
24157 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24178:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24178 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24178:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24178 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24190:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24190 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24190:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24190 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24221:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24221:64: note: in expansion of macro ‘SWIG_fail’
24221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24223:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24223 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetInFormat__SWIG_2(self, argc, argv);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24223:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24223 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetInFormat__SWIG_2(self, argc, argv);
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24224:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24224 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24224:64: note: in expansion of macro ‘SWIG_fail’
24224 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24226:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24226 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24226:64: note: in expansion of macro ‘SWIG_fail’
24226 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOutFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24245:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24245 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24245:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24245 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOutFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24257:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24257 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24257:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24257 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOutFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24288:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24288 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24288:64: note: in expansion of macro ‘SWIG_fail’
24288 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24290:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24290 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetOutFormat__SWIG_2(self, argc, argv);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24290:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24290 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetOutFormat__SWIG_2(self, argc, argv);
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24291:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24291 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24291:64: note: in expansion of macro ‘SWIG_fail’
24291 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24293:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24293 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24293:64: note: in expansion of macro ‘SWIG_fail’
24293 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_IsOption__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24406:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24406 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24406:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24406 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_IsOption__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24418:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24418 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24418:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24418 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_IsOption(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24420:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24420 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_IsOption", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24420:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24420 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_IsOption", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24422:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24422 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24422:64: note: in expansion of macro ‘SWIG_fail’
24422 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24424:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24424 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24424:64: note: in expansion of macro ‘SWIG_fail’
24424 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_AddOption__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24474:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24474 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24474:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24474 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_AddOption__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24485:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24485 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24485:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24485 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_AddOption(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24487:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24487 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_AddOption", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24487:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24487 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_AddOption", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24489:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24489:64: note: in expansion of macro ‘SWIG_fail’
24489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24491:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24491 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24491:64: note: in expansion of macro ‘SWIG_fail’
24491 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24493:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24493 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24493:64: note: in expansion of macro ‘SWIG_fail’
24493 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RemoveOption(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24513:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24513 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24513:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24513 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOptions(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24528:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24528 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24528:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24528 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RegisterOptionParam(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24572:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24572 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_RegisterOptionParam", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24572:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24572 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_RegisterOptionParam", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24574:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24574 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24574:64: note: in expansion of macro ‘SWIG_fail’
24574 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24576:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24576 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24576:64: note: in expansion of macro ‘SWIG_fail’
24576 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24578:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24578 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24578:64: note: in expansion of macro ‘SWIG_fail’
24578 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_CopyOptions(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24623:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24623:64: note: in expansion of macro ‘SWIG_fail’
24623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24625:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24625 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24625:64: note: in expansion of macro ‘SWIG_fail’
24625 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_Convert(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24669:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Convert", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24669:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Convert", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24671:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24671 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24671:64: note: in expansion of macro ‘SWIG_fail’
24671 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24673:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24673:64: note: in expansion of macro ‘SWIG_fail’
24673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetFirstInput(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24756:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24756 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24756:64: note: in expansion of macro ‘SWIG_fail’
24756 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24758:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24758 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24758:64: note: in expansion of macro ‘SWIG_fail’
24758 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOneObjectOnly(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24807:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24807 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_SetOneObjectOnly", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24807:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24807 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_SetOneObjectOnly", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24809:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24809 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24809:64: note: in expansion of macro ‘SWIG_fail’
24809 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24811:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24811 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24811:64: note: in expansion of macro ‘SWIG_fail’
24811 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_Write(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24873:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24873 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Write", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24873:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24873 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Write", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24875:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24875 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24875:64: note: in expansion of macro ‘SWIG_fail’
24875 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24877:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24877 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24877:64: note: in expansion of macro ‘SWIG_fail’
24877 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_WriteString(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24909:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24909 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24909:64: note: in expansion of macro ‘SWIG_fail’
24909 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24911:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24911 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24911:64: note: in expansion of macro ‘SWIG_fail’
24911 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_Read(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24963:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24963 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Read", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24963:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24963 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Read", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24965:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24965 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24965:64: note: in expansion of macro ‘SWIG_fail’
24965 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24967:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24967:64: note: in expansion of macro ‘SWIG_fail’
24967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_ReportNumberConverted(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25040:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_ReportNumberConverted", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25040:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_ReportNumberConverted", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25042:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25042:64: note: in expansion of macro ‘SWIG_fail’
25042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25044:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25044:64: note: in expansion of macro ‘SWIG_fail’
25044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtomAssignTypicalImplicitHydrogens(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25091:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25091 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25091:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25091 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_GetExactMass__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25125:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25125 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25125:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25125 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_GetExactMass(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25130:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25130 |   if (!(argc = SWIG_Python_UnpackTuple(args, "GetExactMass", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25130:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25130 |   if (!(argc = SWIG_Python_UnpackTuple(args, "GetExactMass", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25133:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25133 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25133:64: note: in expansion of macro ‘SWIG_fail’
25133 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_GetAllredRochowElectroNeg(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25146:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25146 |   if (!args) SWIG_fail; swig_obj[0] = args; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25146:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25146 |   if (!args) SWIG_fail; swig_obj[0] = args; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25972:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25972 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBResidue", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25972:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25972 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBResidue", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25975:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25975 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25975:64: note: in expansion of macro ‘SWIG_fail’
25975 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25981:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25981 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25981:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25981 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_SetName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26032:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26032 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26032:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26032 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_SetNum(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26054:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26054 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidue_SetNum", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26054:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26054 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidue_SetNum", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26058:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26058 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26058:64: note: in expansion of macro ‘SWIG_fail’
26058 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_SetAtomID(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26120:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26120 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26120:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26120 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_GetBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26232:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26232 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidue_GetBonds", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26232:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26232 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidue_GetBonds", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26234:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26234 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26234:64: note: in expansion of macro ‘SWIG_fail’
26234 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26236:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26236 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26236:64: note: in expansion of macro ‘SWIG_fail’
26236 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_BeginAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26331:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26331 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26331:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26331 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_EndAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26340:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26340 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26340:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26340 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBInternalCoord__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26532:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26532 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26532:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26532 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBInternalCoord(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26615:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26615 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBInternalCoord", 0, 6, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26615:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26615 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBInternalCoord", 0, 6, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26617:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26617 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26617:64: note: in expansion of macro ‘SWIG_fail’
26617 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26619:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26619 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26619:64: note: in expansion of macro ‘SWIG_fail’
26619 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26621:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26621 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26621:64: note: in expansion of macro ‘SWIG_fail’
26621 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26623:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26623:64: note: in expansion of macro ‘SWIG_fail’
26623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26625:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26625 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26625:64: note: in expansion of macro ‘SWIG_fail’
26625 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26627:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26627 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26627:64: note: in expansion of macro ‘SWIG_fail’
26627 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26629:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26629 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26629:64: note: in expansion of macro ‘SWIG_fail’
26629 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26682:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26682 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26682:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26682 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetType__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26798:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26798 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26798:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26798 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetType__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26810:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26810 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26810:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26810 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26812:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26812 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetType", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26812:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26812 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetType", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26816:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26816 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26816:64: note: in expansion of macro ‘SWIG_fail’
26816 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetVector__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26871:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26871 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26871:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26871 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26877:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26877 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetVector", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26877:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26877 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetVector", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26879:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26879:64: note: in expansion of macro ‘SWIG_fail’
26879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26881:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26881 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26881:64: note: in expansion of macro ‘SWIG_fail’
26881 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26883:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26883 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26883:64: note: in expansion of macro ‘SWIG_fail’
26883 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetAromatic__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26921:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26921 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26921:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26921 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetAromatic(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26927:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetAromatic", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26927:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetAromatic", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26929:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26929:64: note: in expansion of macro ‘SWIG_fail’
26929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26931:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26931:64: note: in expansion of macro ‘SWIG_fail’
26931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetInRing__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26946:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26946 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26946:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26946 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetInRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26952:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26952 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetInRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26952:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26952 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetInRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26954:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26954 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26954:64: note: in expansion of macro ‘SWIG_fail’
26954 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26956:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26956 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26956:64: note: in expansion of macro ‘SWIG_fail’
26956 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_ClearCoordPtr(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26962:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26962 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26962:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26962 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27178:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27178 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetVector", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27178:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27178 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetVector", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27180:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27180 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27180:64: note: in expansion of macro ‘SWIG_fail’
27180 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27182:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27182 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27182:64: note: in expansion of macro ‘SWIG_fail’
27182 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_BeginBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27240:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27240 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27240:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27240 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_EndBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27249:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27249 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27249:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27249 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetDistance(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27347:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27347 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetDistance", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27347:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27347 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetDistance", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27349:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27349 |     if (!_v) goto check_1; return _wrap_OBAtom_GetDistance__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27349:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27349 |     if (!_v) goto check_1; return _wrap_OBAtom_GetDistance__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27351:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27351 |     if (!_v) goto check_2; return _wrap_OBAtom_GetDistance__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27351:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27351 |     if (!_v) goto check_2; return _wrap_OBAtom_GetDistance__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27353:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27353 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27353:64: note: in expansion of macro ‘SWIG_fail’
27353 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetAngle__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27361:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27361 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27361:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27361 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetAngle__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27374:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27374 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27374:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27374 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27386:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27386 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27386:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27386 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) { int _v = 0; {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27388:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27388 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27388:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27388 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27391:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27391 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27391:64: note: in expansion of macro ‘SWIG_fail’
27391 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_NewResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27397:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27397 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27397:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27397 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_DeleteResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27415:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27415 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27415:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27415 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_ClearBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27462:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27462 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27462:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27462 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_ExplicitHydrogenCount(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27521:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27521 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27521:64: note: in expansion of macro ‘SWIG_fail’
27521 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27523:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27523 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27523:64: note: in expansion of macro ‘SWIG_fail’
27523 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_HasAlphaBetaUnsat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27794:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27794:64: note: in expansion of macro ‘SWIG_fail’
27794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27796:64: note: in expansion of macro ‘SWIG_fail’
27796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_MatchesSMARTS(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27868:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27868 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27868:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27868 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27904:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27904 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27904:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27904 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetLength(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27993:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27993 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetLength", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27993:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27993 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetLength", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27995:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27995:64: note: in expansion of macro ‘SWIG_fail’
27995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27997:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27997 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27997:64: note: in expansion of macro ‘SWIG_fail’
27997 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetAromatic__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28034:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28034 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28034:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28034 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetAromatic(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28040:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetAromatic", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28040:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetAromatic", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28042:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28042:64: note: in expansion of macro ‘SWIG_fail’
28042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28044:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28044:64: note: in expansion of macro ‘SWIG_fail’
28044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetWedge__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28059:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28059 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28059:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28059 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetWedge(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28065:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28065 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetWedge", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28065:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28065 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetWedge", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28067:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28067 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28067:64: note: in expansion of macro ‘SWIG_fail’
28067 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28069:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28069 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28069:64: note: in expansion of macro ‘SWIG_fail’
28069 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetHash__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28084:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28084 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28084:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28084 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetHash(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28090:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28090 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetHash", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28090:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28090 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetHash", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28092:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28092 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28092:64: note: in expansion of macro ‘SWIG_fail’
28092 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28094:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28094 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28094:64: note: in expansion of macro ‘SWIG_fail’
28094 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetWedgeOrHash__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28110:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28110 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28110:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28110 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetWedgeOrHash(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28116:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28116 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetWedgeOrHash", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28116:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28116 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetWedgeOrHash", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28118:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28118 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28118:64: note: in expansion of macro ‘SWIG_fail’
28118 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28120:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28120 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28120:64: note: in expansion of macro ‘SWIG_fail’
28120 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetInRing__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28135:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28135 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28135:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28135 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetInRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28141:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28141 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetInRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28141:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28141 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetInRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28143:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28143 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28143:64: note: in expansion of macro ‘SWIG_fail’
28143 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28145:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28145:64: note: in expansion of macro ‘SWIG_fail’
28145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetClosure__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28160:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28160 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28160:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28160 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetClosure(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28166:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28166 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetClosure", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28166:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28166 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetClosure", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28168:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28168 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28168:64: note: in expansion of macro ‘SWIG_fail’
28168 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28170:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28170 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28170:64: note: in expansion of macro ‘SWIG_fail’
28170 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_GetBeginAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28237:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28237 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_GetBeginAtom", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28237:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28237 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_GetBeginAtom", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28239:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28239:64: note: in expansion of macro ‘SWIG_fail’
28239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28241:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28241:64: note: in expansion of macro ‘SWIG_fail’
28241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_GetEndAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28263:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28263 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_GetEndAtom", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28263:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28263 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_GetEndAtom", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28265:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28265 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28265:64: note: in expansion of macro ‘SWIG_fail’
28265 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28267:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28267 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28267:64: note: in expansion of macro ‘SWIG_fail’
28267 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_IsRotor(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28357:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28357 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_IsRotor", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28357:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28357 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_IsRotor", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28359:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28359:64: note: in expansion of macro ‘SWIG_fail’
28359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28361:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28361 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28361:64: note: in expansion of macro ‘SWIG_fail’
28361 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBReaction_SetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28622:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28622 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28622:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28622 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBReaction_SetComment(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28635:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28635 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28635:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28635 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBReaction_SetReversible(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28664:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28664 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28664:64: note: in expansion of macro ‘SWIG_fail’
28664 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28666:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28666 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28666:64: note: in expansion of macro ‘SWIG_fail’
28666 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBReactionFacade_AssignComponentIds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28729:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28729 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBReactionFacade_AssignComponentIds", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28729:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28729 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBReactionFacade_AssignComponentIds", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28731:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28731 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28731:64: note: in expansion of macro ‘SWIG_fail’
28731 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28733:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28733 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28733:64: note: in expansion of macro ‘SWIG_fail’
28733 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBMol__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28878:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28878 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0  | 0);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28878:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28878 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0  | 0);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBMol(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28888:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28888 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBMol", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28888:84: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28888 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBMol", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28891:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28891 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28891:64: note: in expansion of macro ‘SWIG_fail’
28891 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBMol(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28897:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28897 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28897:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28897 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddAtom__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28961:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28961 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28961:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28961 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28987:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28987 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28987:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28987 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28990:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28990 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28990:64: note: in expansion of macro ‘SWIG_fail’
28990 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddBond__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29011:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29011 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29011:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29011 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddBond__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29045:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29045 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29045:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29045 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29069:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29069 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddBond", 0, 6, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29069:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29069 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddBond", 0, 6, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29072:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29072 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29072:64: note: in expansion of macro ‘SWIG_fail’
29072 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29075:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29075 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29075:64: note: in expansion of macro ‘SWIG_fail’
29075 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NewAtom__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29104:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29104 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29104:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29104 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NewAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29114:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29114 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NewAtom", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29114:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29114 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NewAtom", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29117:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29117 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29117:64: note: in expansion of macro ‘SWIG_fail’
29117 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NewBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29132:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29132 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29132:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29132 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NewBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29142:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29142 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NewBond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29142:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29142 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NewBond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29145:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29145:64: note: in expansion of macro ‘SWIG_fail’
29145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteAtom__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29174:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29174 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29174:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29174 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29183:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29183 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29183:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29183 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29185:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29185 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29185:64: note: in expansion of macro ‘SWIG_fail’
29185 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29187:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29187 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29187:64: note: in expansion of macro ‘SWIG_fail’
29187 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29208:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29208 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29208:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29208 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29217:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29217 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29217:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29217 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29219:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29219 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29219:64: note: in expansion of macro ‘SWIG_fail’
29219 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29221:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29221:64: note: in expansion of macro ‘SWIG_fail’
29221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29251:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29251 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteResidue", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29251:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29251 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteResidue", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29253:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29253 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29253:64: note: in expansion of macro ‘SWIG_fail’
29253 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29255:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29255 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29255:64: note: in expansion of macro ‘SWIG_fail’
29255 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_BeginModify(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29261:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29261 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29261:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29261 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_EndModify__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29276:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29276 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29276:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29276 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_EndModify(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29282:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29282 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_EndModify", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29282:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29282 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_EndModify", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29284:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29284:64: note: in expansion of macro ‘SWIG_fail’
29284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29286:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29286 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29286:64: note: in expansion of macro ‘SWIG_fail’
29286 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_IncrementMod(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29299:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29299 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29299:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29299 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DecrementMod(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29306:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29306 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29306:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29306 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29335:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29335 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29335:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29335 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29337:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29337 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29337:64: note: in expansion of macro ‘SWIG_fail’
29337 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29339:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29339 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29339:64: note: in expansion of macro ‘SWIG_fail’
29339 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NumRotors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29388:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29388 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NumRotors", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29388:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29388 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NumRotors", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29390:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29390 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29390:64: note: in expansion of macro ‘SWIG_fail’
29390 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29392:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29392 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29392:64: note: in expansion of macro ‘SWIG_fail’
29392 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29455:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29455 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29455:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29455 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29482:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29482 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29482:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29482 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29486:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29486 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29486:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29486 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29489:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29489:64: note: in expansion of macro ‘SWIG_fail’
29489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetInternalCoord(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29508:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29508 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29508:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29508 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetTorsion__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29535:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29535 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29535:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29535 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29553:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29553 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetTorsion", 0, 5, argv))) SWIG_fail; --argc; if (argc == 5) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29553:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29553 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetTorsion", 0, 5, argv))) SWIG_fail; --argc; if (argc == 5) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29555:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29555 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29555:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29555 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29558:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29558 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29558:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29558 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29561:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29561 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29561:64: note: in expansion of macro ‘SWIG_fail’
29561 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetSpacedFormula(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29652:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29652 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetSpacedFormula", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29652:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29652 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetSpacedFormula", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29654:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29654 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29654:64: note: in expansion of macro ‘SWIG_fail’
29654 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29656:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29656 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29656:64: note: in expansion of macro ‘SWIG_fail’
29656 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29658:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29658 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29658:64: note: in expansion of macro ‘SWIG_fail’
29658 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29660:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29660 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29660:64: note: in expansion of macro ‘SWIG_fail’
29660 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetMolWt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29689:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29689 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetMolWt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29689:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29689 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetMolWt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29691:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29691 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29691:64: note: in expansion of macro ‘SWIG_fail’
29691 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29693:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29693 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29693:64: note: in expansion of macro ‘SWIG_fail’
29693 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetExactMass(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29714:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29714 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetExactMass", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29714:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29714 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetExactMass", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29716:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29716 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29716:64: note: in expansion of macro ‘SWIG_fail’
29716 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29718:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29718 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29718:64: note: in expansion of macro ‘SWIG_fail’
29718 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetTitle__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29792:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29792 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29792:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29792 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29806:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29806 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29806:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29806 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29810:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29810 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29810:64: note: in expansion of macro ‘SWIG_fail’
29810 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetAromaticPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29909:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29909 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29909:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29909 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetAromaticPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29917:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29917:64: note: in expansion of macro ‘SWIG_fail’
29917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29919:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29919 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29919:64: note: in expansion of macro ‘SWIG_fail’
29919 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetSSSRPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29934:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29934 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29934:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29934 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetSSSRPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29940:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29940 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetSSSRPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29940:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29940 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetSSSRPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29942:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29942 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29942:64: note: in expansion of macro ‘SWIG_fail’
29942 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29944:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29944 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29944:64: note: in expansion of macro ‘SWIG_fail’
29944 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetLSSRPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29959:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29959 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29959:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29959 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetLSSRPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29965:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29965 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetLSSRPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29965:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29965 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetLSSRPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29967:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29967:64: note: in expansion of macro ‘SWIG_fail’
29967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29969:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29969 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29969:64: note: in expansion of macro ‘SWIG_fail’
29969 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetRingAtomsAndBondsPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29984:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29984 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29984:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29984 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetRingAtomsAndBondsPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29991:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29991 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetRingAtomsAndBondsPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29991:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29991 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetRingAtomsAndBondsPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29993:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29993 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29993:64: note: in expansion of macro ‘SWIG_fail’
29993 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29995:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29995:64: note: in expansion of macro ‘SWIG_fail’
29995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetAtomTypesPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30010:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30010 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30010:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30010 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetAtomTypesPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30018:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30018 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30018:64: note: in expansion of macro ‘SWIG_fail’
30018 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30020:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30020:64: note: in expansion of macro ‘SWIG_fail’
30020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetRingTypesPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30035:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30035 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30035:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30035 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetRingTypesPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30043:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30043 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30043:64: note: in expansion of macro ‘SWIG_fail’
30043 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30045:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30045 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30045:64: note: in expansion of macro ‘SWIG_fail’
30045 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetChainsPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30060:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30060 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30060:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30060 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetChainsPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30068:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30068 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30068:64: note: in expansion of macro ‘SWIG_fail’
30068 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30070:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30070 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30070:64: note: in expansion of macro ‘SWIG_fail’
30070 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetChiralityPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30085:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30085 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30085:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30085 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetChiralityPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30093:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30093 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30093:64: note: in expansion of macro ‘SWIG_fail’
30093 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30095:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30095 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30095:64: note: in expansion of macro ‘SWIG_fail’
30095 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetPartialChargesPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30110:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30110 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30110:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30110 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetPartialChargesPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30117:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30117 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetPartialChargesPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30117:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30117 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetPartialChargesPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30119:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30119:64: note: in expansion of macro ‘SWIG_fail’
30119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30121:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30121:64: note: in expansion of macro ‘SWIG_fail’
30121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetHybridizationPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30136:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30136 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30136:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30136 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetHybridizationPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30143:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30143 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetHybridizationPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30143:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30143 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetHybridizationPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30145:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30145:64: note: in expansion of macro ‘SWIG_fail’
30145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30147:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30147 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30147:64: note: in expansion of macro ‘SWIG_fail’
30147 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetClosureBondsPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30162:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30162 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30162:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30162 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetClosureBondsPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30169:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30169 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetClosureBondsPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30169:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30169 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetClosureBondsPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30171:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30171 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30171:64: note: in expansion of macro ‘SWIG_fail’
30171 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30173:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30173 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30173:64: note: in expansion of macro ‘SWIG_fail’
30173 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetHydrogensAdded__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30188:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30188 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30188:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30188 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetHydrogensAdded(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30194:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30194 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetHydrogensAdded", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30194:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30194 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetHydrogensAdded", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30196:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30196 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30196:64: note: in expansion of macro ‘SWIG_fail’
30196 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30198:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30198 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30198:64: note: in expansion of macro ‘SWIG_fail’
30198 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetCorrectedForPH__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30213:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30213 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30213:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30213 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetCorrectedForPH(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30219:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30219 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetCorrectedForPH", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30219:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30219 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetCorrectedForPH", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30221:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30221:64: note: in expansion of macro ‘SWIG_fail’
30221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30223:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30223 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30223:64: note: in expansion of macro ‘SWIG_fail’
30223 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetSpinMultiplicityAssigned__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30238:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30238 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30238:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30238 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetSpinMultiplicityAssigned(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30245:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30245 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetSpinMultiplicityAssigned", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30245:108: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30245 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetSpinMultiplicityAssigned", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30247:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30247 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30247:64: note: in expansion of macro ‘SWIG_fail’
30247 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30249:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30249 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30249:64: note: in expansion of macro ‘SWIG_fail’
30249 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetIsPatternStructure__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30264:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30264 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30264:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30264 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetIsPatternStructure(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30272:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30272 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30272:64: note: in expansion of macro ‘SWIG_fail’
30272 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30274:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30274 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30274:64: note: in expansion of macro ‘SWIG_fail’
30274 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetIsReaction__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30289:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30289 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30289:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30289 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetIsReaction(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30295:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30295 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetIsReaction", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30295:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30295 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetIsReaction", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30297:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30297 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30297:64: note: in expansion of macro ‘SWIG_fail’
30297 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30299:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30299 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30299:64: note: in expansion of macro ‘SWIG_fail’
30299 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetPeriodicMol__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30314:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30314 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30314:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30314 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetPeriodicMol(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30320:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30320 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetPeriodicMol", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30320:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30320 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetPeriodicMol", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30322:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30322 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30322:64: note: in expansion of macro ‘SWIG_fail’
30322 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30324:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30324 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30324:64: note: in expansion of macro ‘SWIG_fail’
30324 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_RenumberAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30392:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30392 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_RenumberAtoms", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30392:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30392 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_RenumberAtoms", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30397:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30397 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30397:64: note: in expansion of macro ‘SWIG_fail’
30397 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_ToInertialFrame__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30416:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30416 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30416:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30416 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_ToInertialFrame__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30428:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30428 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30428:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30428 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_ToInertialFrame(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30434:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30434 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_ToInertialFrame", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30434:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30434 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_ToInertialFrame", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30436:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30436:64: note: in expansion of macro ‘SWIG_fail’
30436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30438:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30438 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30438:64: note: in expansion of macro ‘SWIG_fail’
30438 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Translate__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30457:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30457 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30457:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30457 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Translate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30471:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30471 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Translate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30471:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30471 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Translate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30473:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30473 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30473:64: note: in expansion of macro ‘SWIG_fail’
30473 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30475:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30475 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30475:64: note: in expansion of macro ‘SWIG_fail’
30475 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Rotate__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30503:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30503 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30503:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30503 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Rotate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30514:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30514 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Rotate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30514:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30514 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Rotate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30516:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30516 |     if (!_v) goto check_1; return _wrap_OBMol_Rotate__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30516:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30516 |     if (!_v) goto check_1; return _wrap_OBMol_Rotate__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30519:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30519 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30519:64: note: in expansion of macro ‘SWIG_fail’
30519 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Center__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30525:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30525 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30525:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30525 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteHydrogens__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30540:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30540 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30540:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30540 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteHydrogens(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30549:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30549 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteHydrogens", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30549:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30549 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteHydrogens", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30551:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30551:64: note: in expansion of macro ‘SWIG_fail’
30551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30553:64: note: in expansion of macro ‘SWIG_fail’
30553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddHydrogens__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30599:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30599 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30599:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30599 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddHydrogens__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30627:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30627 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30627:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30627 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddHydrogens(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30636:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30636 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddHydrogens", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30636:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30636 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddHydrogens", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30638:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30638 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30638:64: note: in expansion of macro ‘SWIG_fail’
30638 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30640:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30640 |     if (!_v) goto check_2; return _wrap_OBMol_AddHydrogens__SWIG_4(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30640:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30640 |     if (!_v) goto check_2; return _wrap_OBMol_AddHydrogens__SWIG_4(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30642:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30642 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30642:64: note: in expansion of macro ‘SWIG_fail’
30642 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30644:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30644 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30644:64: note: in expansion of macro ‘SWIG_fail’
30644 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30646:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30646 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30646:64: note: in expansion of macro ‘SWIG_fail’
30646 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddNewHydrogens__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30682:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30682 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30682:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30682 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddNewHydrogens(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30701:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30701 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddNewHydrogens", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30701:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30701 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddNewHydrogens", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30703:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30703 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30703:64: note: in expansion of macro ‘SWIG_fail’
30703 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30705:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30705 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30705:64: note: in expansion of macro ‘SWIG_fail’
30705 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30707:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30707 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30707:64: note: in expansion of macro ‘SWIG_fail’
30707 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_StripSalts(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30730:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30730 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_StripSalts", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30730:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30730 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_StripSalts", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30732:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30732 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30732:64: note: in expansion of macro ‘SWIG_fail’
30732 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30734:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30734 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30734:64: note: in expansion of macro ‘SWIG_fail’
30734 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Separate__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30741:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30741 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30741:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30741 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Separate__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30752:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30752 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30752:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30752 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Separate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30759:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30759 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Separate", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30759:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30759 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Separate", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30761:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30761:64: note: in expansion of macro ‘SWIG_fail’
30761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30763:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30763:64: note: in expansion of macro ‘SWIG_fail’
30763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_CopySubstructure__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30825:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30825 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30825:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30825 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_CopySubstructure__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30853:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30853 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30853:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30853 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_CopySubstructure(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30909:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30909 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_CopySubstructure", 0, 7, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30909:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30909 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_CopySubstructure", 0, 7, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30911:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30911 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30911:64: note: in expansion of macro ‘SWIG_fail’
30911 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30913:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30913 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30913:64: note: in expansion of macro ‘SWIG_fail’
30913 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30915:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30915 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30915:64: note: in expansion of macro ‘SWIG_fail’
30915 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30917:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 7) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30917:64: note: in expansion of macro ‘SWIG_fail’
30917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 7) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30919:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30919 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30919:64: note: in expansion of macro ‘SWIG_fail’
30919 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_CorrectForPH(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30966:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30966 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_CorrectForPH", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30966:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30966 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_CorrectForPH", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30968:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30968 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30968:64: note: in expansion of macro ‘SWIG_fail’
30968 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30970:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30970 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30970:64: note: in expansion of macro ‘SWIG_fail’
30970 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AssignSpinMultiplicity(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30993:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30993 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30993:64: note: in expansion of macro ‘SWIG_fail’
30993 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30995:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30995:64: note: in expansion of macro ‘SWIG_fail’
30995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Center(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31020:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31020 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Center", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31020:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31020 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Center", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31023:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31023 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31023:64: note: in expansion of macro ‘SWIG_fail’
31023 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindSSSR(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31053:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31053 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31053:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31053 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindLSSR(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31060:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31060 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31060:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31060 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindRingAtomsAndBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31067:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31067 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31067:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31067 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_ConnectTheDots(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31146:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31146 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31146:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31146 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_PerceiveBondOrders(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31153:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31153 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31153:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31153 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindAngles(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31160:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31160 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31160:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31160 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindTorsions(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31167:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31167 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31167:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31167 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Has2D__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31222:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31222 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31222:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31222 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Has2D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31228:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31228 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Has2D", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31228:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31228 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Has2D", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31231:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31231 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31231:64: note: in expansion of macro ‘SWIG_fail’
31231 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetEnergy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31473:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31473 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetEnergy", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31473:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31473 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetEnergy", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31475:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31475 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31475:64: note: in expansion of macro ‘SWIG_fail’
31475 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31477:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31477 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31477:64: note: in expansion of macro ‘SWIG_fail’
31477 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetTorsion__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31562:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31562 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31562:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31562 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31578:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31578 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetTorsion", 0, 6, argv))) SWIG_fail; --argc; if (argc == 6) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31578:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31578 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetTorsion", 0, 6, argv))) SWIG_fail; --argc; if (argc == 6) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31580:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31580 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31580:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31580 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31583:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31583 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31583:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31583 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31585:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31585 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_1: if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31585:64: note: in expansion of macro ‘SWIG_fail’
31585 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_1: if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31587:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31587 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31587:64: note: in expansion of macro ‘SWIG_fail’
31587 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_ThrowError__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31608:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31608 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31608:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31608 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_ThrowError(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31618:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31618 |   if (!(argc = SWIG_Python_UnpackTuple(args, "ThrowError", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31618:85: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31618 |   if (!(argc = SWIG_Python_UnpackTuple(args, "ThrowError", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) { int _v = 0; {
      |                                                                                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31622:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31622 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31622:64: note: in expansion of macro ‘SWIG_fail’
31622 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBRing__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31830:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31830 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBRing,  0  | 0);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31830:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31830 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBRing,  0  | 0);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31840:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31840 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31840:85: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31840 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31843:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31843 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31843:64: note: in expansion of macro ‘SWIG_fail’
31843 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31847:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31847 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31847:64: note: in expansion of macro ‘SWIG_fail’
31847 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRing_SetType__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31883:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31883 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31883:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31883 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRing_SetType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31897:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31897 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRing_SetType", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31897:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31897 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRing_SetType", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31901:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31901 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31901:64: note: in expansion of macro ‘SWIG_fail’
31901 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRing_IsMember(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31942:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31942 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRing_IsMember", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31942:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31942 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRing_IsMember", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31944:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31944 |     if (!_v) goto check_1; return _wrap_OBRing_IsMember__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31944:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31944 |     if (!_v) goto check_1; return _wrap_OBRing_IsMember__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31946:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31946 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31946:64: note: in expansion of macro ‘SWIG_fail’
31946 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32005:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32005 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32005:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32005 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBRTree(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32149:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32149 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32149:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32149 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSmartsPattern(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32212:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32212 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSmartsPattern", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32212:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32212 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSmartsPattern", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32214:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32214 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32214:64: note: in expansion of macro ‘SWIG_fail’
32214 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32216:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32216 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32216:64: note: in expansion of macro ‘SWIG_fail’
32216 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_Init__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32231:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32231 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32231:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32231 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_Init__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32244:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32244 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32244:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32244 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_Init(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32246:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32246 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_Init", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32246:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32246 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_Init", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32248:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32248 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_Init__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32248:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32248 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_Init__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32250:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32250 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32250:64: note: in expansion of macro ‘SWIG_fail’
32250 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_Match(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32428:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32428 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_Match", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32428:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32428 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_Match", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32430:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32430 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32430:64: note: in expansion of macro ‘SWIG_fail’
32430 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32434:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32434 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32434:64: note: in expansion of macro ‘SWIG_fail’
32434 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32436:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32436:64: note: in expansion of macro ‘SWIG_fail’
32436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_RestrictedMatch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32543:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32543 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_RestrictedMatch", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32543:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32543 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_RestrictedMatch", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32549:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32549 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32549:64: note: in expansion of macro ‘SWIG_fail’
32549 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32553:64: note: in expansion of macro ‘SWIG_fail’
32553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32555:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32555 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32555:64: note: in expansion of macro ‘SWIG_fail’
32555 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsMatcher_match(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32700:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32700 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsMatcher_match", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32700:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32700 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsMatcher_match", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32702:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32702 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32702:64: note: in expansion of macro ‘SWIG_fail’
32702 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32704:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32704 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32704:64: note: in expansion of macro ‘SWIG_fail’
32704 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBSSMatch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32738:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32738 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32738:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32738 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSSMatch_Match(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32776:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32776 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSSMatch_Match", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32776:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32776 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSSMatch_Match", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32778:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32778 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32778:64: note: in expansion of macro ‘SWIG_fail’
32778 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32780:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32780 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32780:64: note: in expansion of macro ‘SWIG_fail’
32780 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_AliasData_SetAlias__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32834:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32834 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32834:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32834 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_AliasData_SetAlias__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32844:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32844 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32844:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32844 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_AliasData_SetAlias(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32846:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32846 |   if (!(argc = SWIG_Python_UnpackTuple(args, "AliasData_SetAlias", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32846:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32846 |   if (!(argc = SWIG_Python_UnpackTuple(args, "AliasData_SetAlias", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32850:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32850 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32850:64: note: in expansion of macro ‘SWIG_fail’
32850 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_AliasData_GetAlias(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32872:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32872 |   if (!(argc = SWIG_Python_UnpackTuple(args, "AliasData_GetAlias", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32872:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32872 |   if (!(argc = SWIG_Python_UnpackTuple(args, "AliasData_GetAlias", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32874:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32874 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32874:64: note: in expansion of macro ‘SWIG_fail’
32874 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32876:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32876 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32876:64: note: in expansion of macro ‘SWIG_fail’
32876 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_AliasData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32930:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32930 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32930:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32930 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32961:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32961 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32961:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32961 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_GetBit(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33005:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33005 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33005:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33005 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_GetFingerprint(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33064:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33064 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33064:64: note: in expansion of macro ‘SWIG_fail’
33064 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33066:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33066 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33066:64: note: in expansion of macro ‘SWIG_fail’
33066 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_DescribeBits(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33119:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33119:64: note: in expansion of macro ‘SWIG_fail’
33119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33121:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33121:64: note: in expansion of macro ‘SWIG_fail’
33121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_Tanimoto__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33144:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33144 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33144:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33144 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33145:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33145 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33145:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33145 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_Tanimoto__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33149:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33149 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33149:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33149 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33160:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33160 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33160:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33160 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_Tanimoto(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33162:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33162 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFingerprint_Tanimoto", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33162:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33162 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFingerprint_Tanimoto", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33166:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33166 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33166:64: note: in expansion of macro ‘SWIG_fail’
33166 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_FindFingerprint(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33184:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33184 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33184:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33184 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FptIndexHeader_fpid_set(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33256:3: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation]
33256 |   else memset(arg1->fpid,0,15*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33256:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’
33256 |   else memset(arg1->fpid,0,15*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |                                              ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FptIndexHeader_datafilename_set(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33293:3: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation]
33293 |   else memset(arg1->datafilename,0,256*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33293:55: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’
33293 |   else memset(arg1->datafilename,0,256*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |                                                       ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FastSearch_FindSimilar(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33477:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33477 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FastSearch_FindSimilar", 0, 5, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33477:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33477 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FastSearch_FindSimilar", 0, 5, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33479:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33479 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33479:64: note: in expansion of macro ‘SWIG_fail’
33479 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33483:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33483:64: note: in expansion of macro ‘SWIG_fail’
33483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33485:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33485 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33485:64: note: in expansion of macro ‘SWIG_fail’
33485 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_FastSearchIndexer__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33530:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33530 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_std__string,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33530:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33530 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_std__string,  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_FastSearchIndexer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33621:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33621 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_FastSearchIndexer", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33621:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33621 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_FastSearchIndexer", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33623:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33623:64: note: in expansion of macro ‘SWIG_fail’
33623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33625:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33625 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33625:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33625 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33628:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33628 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33628:64: note: in expansion of macro ‘SWIG_fail’
33628 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33630:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33630 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33630:64: note: in expansion of macro ‘SWIG_fail’
33630 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33632:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33632 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33632:64: note: in expansion of macro ‘SWIG_fail’
33632 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBDescriptor__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33692:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33692 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33692:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33692 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBDescriptor__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33700:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33700 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33700:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33700 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBDescriptor(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33702:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33702 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBDescriptor", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33702:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33702 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBDescriptor", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33704:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33704 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33704:64: note: in expansion of macro ‘SWIG_fail’
33704 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33706:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33706 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33706:64: note: in expansion of macro ‘SWIG_fail’
33706 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33718:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33718 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33718:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33718 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Predict(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33746:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33746 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Predict", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33746:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33746 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Predict", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33748:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33748 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33748:64: note: in expansion of macro ‘SWIG_fail’
33748 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33750:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33750 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33750:64: note: in expansion of macro ‘SWIG_fail’
33750 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_PredictAndSave(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33783:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33783 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33783:64: note: in expansion of macro ‘SWIG_fail’
33783 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33785:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33785 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33785:64: note: in expansion of macro ‘SWIG_fail’
33785 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_GetStringValue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33828:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33828 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33828:64: note: in expansion of macro ‘SWIG_fail’
33828 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33830:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33830 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33830:64: note: in expansion of macro ‘SWIG_fail’
33830 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Compare(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33878:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33878 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Compare", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33878:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33878 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Compare", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33880:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33880 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33880:64: note: in expansion of macro ‘SWIG_fail’
33880 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33882:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33882 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33882:64: note: in expansion of macro ‘SWIG_fail’
33882 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Display__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33907:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33907 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33907:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33907 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33908:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33908 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33908:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33908 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Display__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33925:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33925 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33925:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33925 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Display(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33927:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33927:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33929:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33929:64: note: in expansion of macro ‘SWIG_fail’
33929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33931:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33931:64: note: in expansion of macro ‘SWIG_fail’
33931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Order(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33962:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33962 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Order", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33962:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33962 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Order", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) { int _v = 0;
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33967:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33967:64: note: in expansion of macro ‘SWIG_fail’
33967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_AddProperties(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33998:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33998 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33998:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33998 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_DeleteProperties(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:34011:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34011 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:34011:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34011 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35432:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35432 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35432:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35432 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FindForceField__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35451:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35451 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35451:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35451 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35458:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35458 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35458:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35458 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FindForceField__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35467:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35467 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35467:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35467 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FindForceField(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35471:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35471 |     if (!_v) goto check_1; return _wrap_OBForceField_FindForceField__SWIG_0(self, argc, argv);}  check_1: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35471:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35471 |     if (!_v) goto check_1; return _wrap_OBForceField_FindForceField__SWIG_0(self, argc, argv);}  check_1: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35473:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35473 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35473:64: note: in expansion of macro ‘SWIG_fail’
35473 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SetParameterFile(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35489:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35489 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35489:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35489 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_Setup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35536:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35536 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_Setup", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35536:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35536 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_Setup", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35538:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35538 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35538:64: note: in expansion of macro ‘SWIG_fail’
35538 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35540:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35540 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35540:64: note: in expansion of macro ‘SWIG_fail’
35540 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_GetGrid(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35721:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35721 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35721:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35721 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_GetGradient(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35935:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35935 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35935:64: note: in expansion of macro ‘SWIG_fail’
35935 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35937:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35937 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35937:64: note: in expansion of macro ‘SWIG_fail’
35937 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_Energy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35966:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35966 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_Energy", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35966:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35966 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_Energy", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35968:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35968 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35968:64: note: in expansion of macro ‘SWIG_fail’
35968 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35970:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35970 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35970:64: note: in expansion of macro ‘SWIG_fail’
35970 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_Bond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35992:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35992 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Bond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35992:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35992 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Bond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35994:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35994 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35994:64: note: in expansion of macro ‘SWIG_fail’
35994 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35996:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35996 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35996:64: note: in expansion of macro ‘SWIG_fail’
35996 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_Angle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36018:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36018 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Angle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36018:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36018 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Angle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36020:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36020:64: note: in expansion of macro ‘SWIG_fail’
36020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36022:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36022 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36022:64: note: in expansion of macro ‘SWIG_fail’
36022 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_StrBnd(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36044:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36044 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_StrBnd", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36044:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36044 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_StrBnd", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36046:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36046:64: note: in expansion of macro ‘SWIG_fail’
36046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36048:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36048 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36048:64: note: in expansion of macro ‘SWIG_fail’
36048 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_Torsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36070:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36070 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Torsion", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36070:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36070 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Torsion", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36072:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36072 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36072:64: note: in expansion of macro ‘SWIG_fail’
36072 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36074:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36074 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36074:64: note: in expansion of macro ‘SWIG_fail’
36074 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_OOP(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36096:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36096 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_OOP", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36096:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36096 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_OOP", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36098:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36098 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36098:64: note: in expansion of macro ‘SWIG_fail’
36098 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36100:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36100 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36100:64: note: in expansion of macro ‘SWIG_fail’
36100 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_VDW(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36122:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36122 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_VDW", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36122:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36122 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_VDW", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36124:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36124 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36124:64: note: in expansion of macro ‘SWIG_fail’
36124 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36126:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36126 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36126:64: note: in expansion of macro ‘SWIG_fail’
36126 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_Electrostatic(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36150:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36150:64: note: in expansion of macro ‘SWIG_fail’
36150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36152:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36152 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36152:64: note: in expansion of macro ‘SWIG_fail’
36152 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_OBFFLog__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36233:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36233 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36233:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36233 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_OBFFLog(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36235:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36235 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_OBFFLog", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36235:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36235 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_OBFFLog", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36237:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36237 |     if (!_v) goto check_1; return _wrap_OBForceField_OBFFLog__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36237:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36237 |     if (!_v) goto check_1; return _wrap_OBForceField_OBFFLog__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36239:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36239:64: note: in expansion of macro ‘SWIG_fail’
36239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SystematicRotorSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36282:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36282 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearch", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36282:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36282 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearch", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36284:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36284:64: note: in expansion of macro ‘SWIG_fail’
36284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36286:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36286 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36286:64: note: in expansion of macro ‘SWIG_fail’
36286 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36288:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36288 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36288:64: note: in expansion of macro ‘SWIG_fail’
36288 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SystematicRotorSearchInitialize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36325:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36325 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearchInitialize", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36325:119: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36325 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearchInitialize", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36327:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36327 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36327:64: note: in expansion of macro ‘SWIG_fail’
36327 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36329:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36329 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36329:64: note: in expansion of macro ‘SWIG_fail’
36329 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36331:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36331 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36331:64: note: in expansion of macro ‘SWIG_fail’
36331 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SystematicRotorSearchNextConformer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36355:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36355 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearchNextConformer", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36355:122: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36355 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearchNextConformer", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36357:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36357 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36357:64: note: in expansion of macro ‘SWIG_fail’
36357 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36359:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36359:64: note: in expansion of macro ‘SWIG_fail’
36359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_RandomRotorSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36403:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36403 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearch", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36403:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36403 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearch", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36405:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36405 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36405:64: note: in expansion of macro ‘SWIG_fail’
36405 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36407:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36407 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36407:64: note: in expansion of macro ‘SWIG_fail’
36407 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36409:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36409 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36409:64: note: in expansion of macro ‘SWIG_fail’
36409 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_RandomRotorSearchInitialize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36454:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36454 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearchInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36454:115: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36454 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearchInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                                   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36456:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36456 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36456:64: note: in expansion of macro ‘SWIG_fail’
36456 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36458:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36458 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36458:64: note: in expansion of macro ‘SWIG_fail’
36458 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36460:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36460 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36460:64: note: in expansion of macro ‘SWIG_fail’
36460 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_RandomRotorSearchNextConformer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36485:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36485 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearchNextConformer", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36485:118: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36485 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearchNextConformer", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36487:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36487 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36487:64: note: in expansion of macro ‘SWIG_fail’
36487 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36489:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36489:64: note: in expansion of macro ‘SWIG_fail’
36489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_WeightedRotorSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36523:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36523 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_WeightedRotorSearch", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36523:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36523 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_WeightedRotorSearch", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36525:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36525:64: note: in expansion of macro ‘SWIG_fail’
36525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36527:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36527 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36527:64: note: in expansion of macro ‘SWIG_fail’
36527 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FastRotorSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36551:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36551:64: note: in expansion of macro ‘SWIG_fail’
36551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36553:64: note: in expansion of macro ‘SWIG_fail’
36553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_DiverseConfGen(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36615:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36615 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36615:64: note: in expansion of macro ‘SWIG_fail’
36615 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36617:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36617 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36617:64: note: in expansion of macro ‘SWIG_fail’
36617 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36619:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36619 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36619:64: note: in expansion of macro ‘SWIG_fail’
36619 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36621:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36621 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36621:64: note: in expansion of macro ‘SWIG_fail’
36621 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_LineSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36678:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36678 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_LineSearch", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36678:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36678 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_LineSearch", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36682:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36682 |      if (!_v) goto check_1; return _wrap_OBForceField_LineSearch__SWIG_0(self, argc, argv);}  check_1: if (argc == 3) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36682:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36682 |      if (!_v) goto check_1; return _wrap_OBForceField_LineSearch__SWIG_0(self, argc, argv);}  check_1: if (argc == 3) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36684:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36684 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36684:64: note: in expansion of macro ‘SWIG_fail’
36684 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SteepestDescent(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36757:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36757 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36757:64: note: in expansion of macro ‘SWIG_fail’
36757 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36759:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36759 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36759:64: note: in expansion of macro ‘SWIG_fail’
36759 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36761:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36761:64: note: in expansion of macro ‘SWIG_fail’
36761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SteepestDescentInitialize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36813:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36813 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SteepestDescentInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36813:113: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36813 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SteepestDescentInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36815:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36815 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36815:64: note: in expansion of macro ‘SWIG_fail’
36815 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36817:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36817 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36817:64: note: in expansion of macro ‘SWIG_fail’
36817 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36819:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36819 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36819:64: note: in expansion of macro ‘SWIG_fail’
36819 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36821:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36821 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36821:64: note: in expansion of macro ‘SWIG_fail’
36821 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_ConjugateGradients(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36878:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36878 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_ConjugateGradients", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36878:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36878 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_ConjugateGradients", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36880:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36880 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36880:64: note: in expansion of macro ‘SWIG_fail’
36880 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36882:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36882 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36882:64: note: in expansion of macro ‘SWIG_fail’
36882 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36884:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36884 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36884:64: note: in expansion of macro ‘SWIG_fail’
36884 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_ConjugateGradientsInitialize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36936:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36936 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_ConjugateGradientsInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36936:116: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36936 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_ConjugateGradientsInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36938:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36938 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36938:64: note: in expansion of macro ‘SWIG_fail’
36938 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36940:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36940 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36940:64: note: in expansion of macro ‘SWIG_fail’
36940 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36942:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36942 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36942:64: note: in expansion of macro ‘SWIG_fail’
36942 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36944:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36944 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36944:64: note: in expansion of macro ‘SWIG_fail’
36944 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_MolecularDynamicsTakeNSteps(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37022:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37022 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_MolecularDynamicsTakeNSteps", 0, 5, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37022:115: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37022 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_MolecularDynamicsTakeNSteps", 0, 5, argv))) SWIG_fail; --argc;
      |                                                                                                                   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37024:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37024 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37024:64: note: in expansion of macro ‘SWIG_fail’
37024 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37026:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37026 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37026:64: note: in expansion of macro ‘SWIG_fail’
37026 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37028:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37028 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37028:64: note: in expansion of macro ‘SWIG_fail’
37028 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_IgnoreCalculation(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37124:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37124 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_IgnoreCalculation", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37124:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37124 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_IgnoreCalculation", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37126:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37126 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37126:64: note: in expansion of macro ‘SWIG_fail’
37126 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37128:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37128 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37128:64: note: in expansion of macro ‘SWIG_fail’
37128 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37130:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37130 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37130:64: note: in expansion of macro ‘SWIG_fail’
37130 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorAngleDerivative__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37298:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37298 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37298:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37298 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorAngleDerivative(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37318:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37318 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorAngleDerivative", 0, 6, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37318:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37318 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorAngleDerivative", 0, 6, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37320:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37320 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37320:64: note: in expansion of macro ‘SWIG_fail’
37320 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37322:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37322 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37322:64: note: in expansion of macro ‘SWIG_fail’
37322 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorOOPDerivative__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37334:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37334 |   if ((nobjs < 8) || (nobjs > 8)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37334:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37334 |   if ((nobjs < 8) || (nobjs > 8)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorOOPDerivative(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37389:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37389 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorOOPDerivative", 0, 8, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37389:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37389 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorOOPDerivative", 0, 8, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37391:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37391 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 8) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37391:64: note: in expansion of macro ‘SWIG_fail’
37391 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 8) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37393:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37393 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37393:64: note: in expansion of macro ‘SWIG_fail’
37393 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorTorsionDerivative__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37405:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37405 |   if ((nobjs < 8) || (nobjs > 8)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37405:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37405 |   if ((nobjs < 8) || (nobjs > 8)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorTorsionDerivative(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37460:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37460 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorTorsionDerivative", 0, 8, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37460:111: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37460 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorTorsionDerivative", 0, 8, argv))) SWIG_fail; --argc;
      |                                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37462:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37462 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 8) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37462:64: note: in expansion of macro ‘SWIG_fail’
37462 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 8) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37464:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37464 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37464:64: note: in expansion of macro ‘SWIG_fail’
37464 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorLength(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37552:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37552 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37552:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37552 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_Build(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37710:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37710 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBuilder_Build", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37710:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37710 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBuilder_Build", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37712:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37712 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37712:64: note: in expansion of macro ‘SWIG_fail’
37712 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37714:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37714 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37714:64: note: in expansion of macro ‘SWIG_fail’
37714 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_SetKeepRings(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37720:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37720 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37720:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37720 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_UnsetKeepRings(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37727:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37727:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_AddRingFragment(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37752:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37752 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37752:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37752 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_LoadFragments(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37755:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37755 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37755:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37755 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_GetNewBondVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37794:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37794:64: note: in expansion of macro ‘SWIG_fail’
37794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37796:64: note: in expansion of macro ‘SWIG_fail’
37796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_Connect__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37844:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37844 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37844:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37844 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_Connect(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37871:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37871 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBuilder_Connect", 0, 5, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37871:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37871 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBuilder_Connect", 0, 5, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37873:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37873 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37873:64: note: in expansion of macro ‘SWIG_fail’
37873 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37875:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37875 |      if (!_v) goto check_2; return _wrap_OBBuilder_Connect__SWIG_1(self, argc, argv);}  check_2: if (argc == 4) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37875:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37875 |      if (!_v) goto check_2; return _wrap_OBBuilder_Connect__SWIG_1(self, argc, argv);}  check_2: if (argc == 4) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37877:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37877 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37877:64: note: in expansion of macro ‘SWIG_fail’
37877 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37879:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37879:64: note: in expansion of macro ‘SWIG_fail’
37879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_CorrectStereoBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37906:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37906 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37906:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37906 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_CorrectStereoAtoms__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37926:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37926 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37926:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37926 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_CorrectStereoAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37936:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37936 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37936:64: note: in expansion of macro ‘SWIG_fail’
37936 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37938:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37938 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37938:64: note: in expansion of macro ‘SWIG_fail’
37938 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBBuilder(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37977:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37977 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37977:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37977 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38001:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38001 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38001:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38001 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38006:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38006 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38006:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38006 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_Do__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38012:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38012 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38012:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38012 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38030:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38030 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38030:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38030 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_Do__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38035:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38035 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38035:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38035 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38050:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38050 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38050:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38050 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_Do__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38065:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38065 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38065:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38065 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_Do(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38077:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38077 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOp_Do", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38077:82: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38077 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOp_Do", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38080:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38080:64: note: in expansion of macro ‘SWIG_fail’
38080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38083:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38083 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38083:64: note: in expansion of macro ‘SWIG_fail’
38083 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBOp(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38142:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38142 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38142:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38142 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBChargeModel__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38169:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38169 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38169:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38169 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBChargeModel__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38178:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38178 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38178:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38178 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBChargeModel(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38180:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38180 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBChargeModel", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38180:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38180 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBChargeModel", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38182:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38182 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38182:64: note: in expansion of macro ‘SWIG_fail’
38182 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38184:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38184 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38184:64: note: in expansion of macro ‘SWIG_fail’
38184 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChargeModel_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38196:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38196 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38196:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38196 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChargeModel_ComputeCharges__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38226:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38226 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38226:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38226 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChargeModel_ComputeCharges(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38230:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38230 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38230:64: note: in expansion of macro ‘SWIG_fail’
38230 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38232:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38232 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38232:64: note: in expansion of macro ‘SWIG_fail’
38232 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChemTsfm_Init(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38317:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38317 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38317:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38317 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38318:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38318 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38318:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38318 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBPhModel(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38364:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38364 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38364:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38364 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPhModel_CorrectForPH(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38412:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38412 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPhModel_CorrectForPH", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38412:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38412 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPhModel_CorrectForPH", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38414:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38414 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38414:64: note: in expansion of macro ‘SWIG_fail’
38414 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38416:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38416 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38416:64: note: in expansion of macro ‘SWIG_fail’
38416 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBGraphSym(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38453:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38453 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBGraphSym", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38453:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38453 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBGraphSym", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38455:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38455 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38455:64: note: in expansion of macro ‘SWIG_fail’
38455 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38457:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38457 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38457:64: note: in expansion of macro ‘SWIG_fail’
38457 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_GetInstance__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38517:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38517 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38517:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38517 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38528:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38528 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38528:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38528 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_GetInstance(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38540:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38540 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_GetInstance", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38540:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38540 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_GetInstance", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38542:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38542 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38542:64: note: in expansion of macro ‘SWIG_fail’
38542 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38544:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38544 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38544:64: note: in expansion of macro ‘SWIG_fail’
38544 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_MapFirst(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38594:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38594 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38594:64: note: in expansion of macro ‘SWIG_fail’
38594 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38596:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38596 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38596:64: note: in expansion of macro ‘SWIG_fail’
38596 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_MapUnique(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38646:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38646 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_MapUnique", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38646:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38646 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_MapUnique", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38648:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38648 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38648:64: note: in expansion of macro ‘SWIG_fail’
38648 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38650:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38650 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38650:64: note: in expansion of macro ‘SWIG_fail’
38650 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_MapAll(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38729:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38729 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38729:64: note: in expansion of macro ‘SWIG_fail’
38729 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38731:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38731 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38731:64: note: in expansion of macro ‘SWIG_fail’
38731 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38733:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38733 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38733:64: note: in expansion of macro ‘SWIG_fail’
38733 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_MapGeneric(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38782:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38782 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_MapGeneric", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38782:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38782 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_MapGeneric", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38784:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38784 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38784:64: note: in expansion of macro ‘SWIG_fail’
38784 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38786:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38786 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38786:64: note: in expansion of macro ‘SWIG_fail’
38786 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_MapsTo(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38813:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38813 |   if (!SWIG_Python_UnpackTuple(args, "MapsTo", 3, 3, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38813:76: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38813 |   if (!SWIG_Python_UnpackTuple(args, "MapsTo", 3, 3, swig_obj)) SWIG_fail; {
      |                                                                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38829:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38829 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38829:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38829 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38863:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38863 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38863:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38863 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38894:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38894 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38894:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38894 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38919:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38919 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38919:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38919 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38925:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38925 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38925:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38925 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_5(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38972:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38972 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38972:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38972 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_6(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39011:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39011 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39011:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39011 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_7(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39032:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39032 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39032:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39032 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39034:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39034 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FindAutomorphisms", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39034:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39034 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FindAutomorphisms", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39036:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39036 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39036:64: note: in expansion of macro ‘SWIG_fail’
39036 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39038:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39038 |     if (!_v) goto check_2; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39038:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39038 |     if (!_v) goto check_2; { void *vptr = 0;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39047:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39047 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39047:64: note: in expansion of macro ‘SWIG_fail’
39047 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39049:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39049 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39049:64: note: in expansion of macro ‘SWIG_fail’
39049 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39051:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39051 |     if (!_v) goto check_5; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39051:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39051 |     if (!_v) goto check_5; { void *vptr = 0;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39061:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39061 |     if (!_v) goto check_6; PyObject *retobj = _wrap_FindAutomorphisms__SWIG_6(self, argc, argv);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39061:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39061 |     if (!_v) goto check_6; PyObject *retobj = _wrap_FindAutomorphisms__SWIG_6(self, argc, argv);
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39062:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39062 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_6: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39062:64: note: in expansion of macro ‘SWIG_fail’
39062 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_6: if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39064:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39064 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39064:64: note: in expansion of macro ‘SWIG_fail’
39064 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39066:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39066 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39066:64: note: in expansion of macro ‘SWIG_fail’
39066 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBQueryAtom__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39102:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39102 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39102:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39102 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBQueryAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39113:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39113 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBQueryAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39113:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39113 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBQueryAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39115:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39115 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39115:64: note: in expansion of macro ‘SWIG_fail’
39115 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39117:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39117 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39117:64: note: in expansion of macro ‘SWIG_fail’
39117 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39119:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39119:64: note: in expansion of macro ‘SWIG_fail’
39119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39121:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39121:64: note: in expansion of macro ‘SWIG_fail’
39121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBQueryAtom_GetBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39145:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39145 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39145:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39145 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBQueryAtom_GetNbrs(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39155:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39155 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39155:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39155 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBQueryBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39233:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39233 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBQueryBond", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39233:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39233 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBQueryBond", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39235:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39235 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39235:64: note: in expansion of macro ‘SWIG_fail’
39235 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39237:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39237 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39237:64: note: in expansion of macro ‘SWIG_fail’
39237 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39239:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39239:64: note: in expansion of macro ‘SWIG_fail’
39239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBQuery(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39304:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39304 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39304:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39304 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBQuery_GetAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39328:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39328 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39328:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39328 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBQuery_GetBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39338:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39338 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39338:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39338 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileMoleculeQuery__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39403:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39403 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39403:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39403 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileMoleculeQuery(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39424:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39424 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CompileMoleculeQuery", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39424:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39424 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CompileMoleculeQuery", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39426:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39426 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39426:64: note: in expansion of macro ‘SWIG_fail’
39426 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39428:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39428 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39428:64: note: in expansion of macro ‘SWIG_fail’
39428 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileSmilesQuery__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39447:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39447 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39447:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39447 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileSmilesQuery__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39450:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39450 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39450:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39450 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39457:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39457 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39457:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39457 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileSmilesQuery(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39459:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39459 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CompileSmilesQuery", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39459:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39459 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CompileSmilesQuery", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39461:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39461 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39461:64: note: in expansion of macro ‘SWIG_fail’
39461 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39463:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39463 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39463:64: note: in expansion of macro ‘SWIG_fail’
39463 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39499:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39499 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39499:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39499 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39530:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39530 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39530:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39530 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39536:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39536 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39536:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39536 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39558:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39558 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39558:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39558 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39580:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39580 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39580:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39580 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39582:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39582 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CanonicalLabels", 0, 6, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39582:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39582 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CanonicalLabels", 0, 6, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39584:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39584:64: note: in expansion of macro ‘SWIG_fail’
39584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39586:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39586 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39586:64: note: in expansion of macro ‘SWIG_fail’
39586 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39588:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39588 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39588:64: note: in expansion of macro ‘SWIG_fail’
39588 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39590:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39590 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39590:64: note: in expansion of macro ‘SWIG_fail’
39590 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_MakeRefs__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39602:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39602 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_long(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39602:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39602 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_long(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_MakeRefs(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39632:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39632 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBStereo_MakeRefs", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39632:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39632 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBStereo_MakeRefs", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39634:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39634 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39634:64: note: in expansion of macro ‘SWIG_fail’
39634 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39636:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39636:64: note: in expansion of macro ‘SWIG_fail’
39636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_ContainsSameRefs(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39644:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39644 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_ContainsSameRefs", 2, 2, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39644:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39644 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_ContainsSameRefs", 2, 2, swig_obj)) SWIG_fail; {
      |                                                                                               ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39659:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39659 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39659:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39659 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39660:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39660 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39660:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39660 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_ContainsRef(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39664:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39664 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_ContainsRef", 2, 2, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39664:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39664 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_ContainsRef", 2, 2, swig_obj)) SWIG_fail; {
      |                                                                                          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39675:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39675 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39675:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39675 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_NumInversions(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39678:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39678 |   if (!args) SWIG_fail; swig_obj[0] = args; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39678:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39678 |   if (!args) SWIG_fail; swig_obj[0] = args; {
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39687:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39687 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39687:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39687 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_Permutated(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39706:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39706 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_Permutated", 3, 3, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39706:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39706 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_Permutated", 3, 3, swig_obj)) SWIG_fail; {
      |                                                                                         ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39719:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39719 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39719:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39719 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBStereo(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39727:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39727:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStereoUnit__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39751:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39751 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39751:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39751 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStereoUnit__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39764:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39764 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39764:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39764 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStereoUnit(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39773:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39773 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBStereoUnit", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39773:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39773 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBStereoUnit", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39775:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39775 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39775:64: note: in expansion of macro ‘SWIG_fail’
39775 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39777:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39777 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39777:64: note: in expansion of macro ‘SWIG_fail’
39777 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39779:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39779 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39779:64: note: in expansion of macro ‘SWIG_fail’
39779 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStereoFacade(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39928:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39928 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBStereoFacade", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39928:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39928 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBStereoFacade", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39930:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39930 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39930:64: note: in expansion of macro ‘SWIG_fail’
39930 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39932:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39932 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39932:64: note: in expansion of macro ‘SWIG_fail’
39932 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_PerceiveStereo__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40083:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40083 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40083:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40083 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_PerceiveStereo(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40089:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40089 |   if (!(argc = SWIG_Python_UnpackTuple(args, "PerceiveStereo", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40089:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40089 |   if (!(argc = SWIG_Python_UnpackTuple(args, "PerceiveStereo", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40091:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40091:64: note: in expansion of macro ‘SWIG_fail’
40091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40093:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40093 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40093:64: note: in expansion of macro ‘SWIG_fail’
40093 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom2D__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40101:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40101 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40101:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40101 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom2D__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40129:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40129 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40129:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40129 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom2D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40135:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40135 |   if (!(argc = SWIG_Python_UnpackTuple(args, "StereoFrom2D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40135:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40135 |   if (!(argc = SWIG_Python_UnpackTuple(args, "StereoFrom2D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40138:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40138 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40138:64: note: in expansion of macro ‘SWIG_fail’
40138 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom3D__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40157:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40157 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40157:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40157 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom3D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40163:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40163 |   if (!(argc = SWIG_Python_UnpackTuple(args, "StereoFrom3D", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40163:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40163 |   if (!(argc = SWIG_Python_UnpackTuple(args, "StereoFrom3D", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40166:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40166 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40166:64: note: in expansion of macro ‘SWIG_fail’
40166 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom0D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40172:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40172 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40172:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40172 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_TetrahedralFrom3D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40215:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40215 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom3D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40215:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40215 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom3D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40217:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40217 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40217:64: note: in expansion of macro ‘SWIG_fail’
40217 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40219:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40219 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40219:64: note: in expansion of macro ‘SWIG_fail’
40219 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_TetrahedralFrom2D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40262:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40262 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom2D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40262:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40262 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom2D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40264:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40264 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40264:64: note: in expansion of macro ‘SWIG_fail’
40264 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40266:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40266:64: note: in expansion of macro ‘SWIG_fail’
40266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_TetrahedralFrom0D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40309:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40309 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom0D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40309:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40309 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom0D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40311:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40311 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40311:64: note: in expansion of macro ‘SWIG_fail’
40311 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40313:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40313 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40313:64: note: in expansion of macro ‘SWIG_fail’
40313 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CisTransFrom3D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40356:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40356 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom3D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40356:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40356 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom3D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40358:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40358 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40358:64: note: in expansion of macro ‘SWIG_fail’
40358 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40360:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40360 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40360:64: note: in expansion of macro ‘SWIG_fail’
40360 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CisTransFrom2D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40433:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40433 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom2D", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40433:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40433 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom2D", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40435:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40435 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40435:64: note: in expansion of macro ‘SWIG_fail’
40435 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40437:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40437 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40437:64: note: in expansion of macro ‘SWIG_fail’
40437 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40439:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40439 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40439:64: note: in expansion of macro ‘SWIG_fail’
40439 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CisTransFrom0D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40549:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40549 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom0D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40549:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40549 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom0D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40551:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40551:64: note: in expansion of macro ‘SWIG_fail’
40551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40553:64: note: in expansion of macro ‘SWIG_fail’
40553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindStereogenicUnits__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40563:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40563 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40563:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40563 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40575:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40575 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40575:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40575 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindStereogenicUnits__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40581:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40581 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40581:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40581 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40599:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40599 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40599:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40599 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40600:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40600 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40600:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40600 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindStereogenicUnits(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40602:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40602 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FindStereogenicUnits", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40602:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40602 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FindStereogenicUnits", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40604:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40604 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40604:64: note: in expansion of macro ‘SWIG_fail’
40604 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40606:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40606 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40606:64: note: in expansion of macro ‘SWIG_fail’
40606 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBRotorRule(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40632:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40632 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40632:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40632 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBRotor(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40797:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40797 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40797:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40797 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_SetRings(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40815:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40815 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40815:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40815 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_SetDihedralAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40856:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40856 |      if (!_v) goto check_1; return _wrap_OBRotor_SetDihedralAtoms__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40856:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40856 |      if (!_v) goto check_1; return _wrap_OBRotor_SetDihedralAtoms__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40858:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40858 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40858:64: note: in expansion of macro ‘SWIG_fail’
40858 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_SetRotor__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40932:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40932 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40932:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40932 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_SetRotor(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40943:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40943 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotor_SetRotor", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40943:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40943 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotor_SetRotor", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40945:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40945 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40945:64: note: in expansion of macro ‘SWIG_fail’
40945 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40947:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40947 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40947:64: note: in expansion of macro ‘SWIG_fail’
40947 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_Set__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40955:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40955 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40955:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40955 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_Set__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40985:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40985 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40985:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40985 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_Set__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41011:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41011 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41011:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41011 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_Set(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41024:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41024 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotor_Set", 0, 6, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41024:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41024 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotor_Set", 0, 6, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41027:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41027 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41027:64: note: in expansion of macro ‘SWIG_fail’
41027 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_GetDihedralAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41077:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41077 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41077:64: note: in expansion of macro ‘SWIG_fail’
41077 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41079:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41079 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41079:64: note: in expansion of macro ‘SWIG_fail’
41079 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotorList_Setup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41339:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41339 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotorList_Setup", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41339:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41339 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotorList_Setup", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41341:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41341:64: note: in expansion of macro ‘SWIG_fail’
41341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41343:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41343 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41343:64: note: in expansion of macro ‘SWIG_fail’
41343 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotorList_FindRotors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41422:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41422 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotorList_FindRotors", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41422:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41422 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotorList_FindRotors", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41424:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41424 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41424:64: note: in expansion of macro ‘SWIG_fail’
41424 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41426:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41426 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41426:64: note: in expansion of macro ‘SWIG_fail’
41426 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotorList_BeginRotors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41489:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41489 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41489:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41489 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotorList_EndRotors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41498:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41498 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41498:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41498 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_rotor_digit(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41582:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41582 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_rotor_digit", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41582:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41582 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_rotor_digit", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41584:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41584:64: note: in expansion of macro ‘SWIG_fail’
41584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41586:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41586 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41586:64: note: in expansion of macro ‘SWIG_fail’
41586 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_Setup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41765:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41765 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotamerList_Setup", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41765:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41765 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotamerList_Setup", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41767:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41767:64: note: in expansion of macro ‘SWIG_fail’
41767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41769:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41769 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41769:64: note: in expansion of macro ‘SWIG_fail’
41769 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_AddRotamer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41835:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41835 |     if (!_v) goto check_1; return _wrap_OBRotamerList_AddRotamer__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41835:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41835 |     if (!_v) goto check_1; return _wrap_OBRotamerList_AddRotamer__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41837:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41837 |     if (!_v) goto check_2; return _wrap_OBRotamerList_AddRotamer__SWIG_1(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41837:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41837 |     if (!_v) goto check_2; return _wrap_OBRotamerList_AddRotamer__SWIG_1(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41841:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41841 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41841:64: note: in expansion of macro ‘SWIG_fail’
41841 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_BeginRotamer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41874:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41874 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41874:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41874 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_EndRotamer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41883:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41883 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41883:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41883 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_SetBaseCoordinateSets(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41977:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41977 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotamerList_SetBaseCoordinateSets", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41977:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41977 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotamerList_SetBaseCoordinateSets", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41979:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41979 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41979:64: note: in expansion of macro ‘SWIG_fail’
41979 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41981:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41981 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41981:64: note: in expansion of macro ‘SWIG_fail’
41981 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSpectrophore(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42042:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42042 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSpectrophore", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42042:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42042 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSpectrophore", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42044:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42044:64: note: in expansion of macro ‘SWIG_fail’
42044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42046:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42046:64: note: in expansion of macro ‘SWIG_fail’
42046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSpectrophore_SetResolution(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42078:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42078 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42078:64: note: in expansion of macro ‘SWIG_fail’
42078 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42080:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42080:64: note: in expansion of macro ‘SWIG_fail’
42080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSpectrophore_SetAccuracy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42105:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42105:64: note: in expansion of macro ‘SWIG_fail’
42105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42107:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42107:64: note: in expansion of macro ‘SWIG_fail’
42107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSpectrophore_SetStereo(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42133:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42133 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42133:64: note: in expansion of macro ‘SWIG_fail’
42133 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42135:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42135 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42135:64: note: in expansion of macro ‘SWIG_fail’
42135 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSpectrophore_SetNormalization(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42160:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42160 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSpectrophore_SetNormalization", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42160:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42160 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSpectrophore_SetNormalization", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42162:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42162 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42162:64: note: in expansion of macro ‘SWIG_fail’
42162 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42164:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42164 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42164:64: note: in expansion of macro ‘SWIG_fail’
42164 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerFilter_IsGood(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42248:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42248 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42248:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42248 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStericConformerFilter__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42306:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42306 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42306:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42306 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStericConformerFilter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42339:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42339 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42339:64: note: in expansion of macro ‘SWIG_fail’
42339 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42341:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42341:64: note: in expansion of macro ‘SWIG_fail’
42341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42343:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42343 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42343:64: note: in expansion of macro ‘SWIG_fail’
42343 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42345:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42345 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42345:64: note: in expansion of macro ‘SWIG_fail’
42345 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerScore_Score(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42417:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42417 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42417:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42417 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerSearch_Setup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42669:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConformerSearch_Setup", 0, 6, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42669:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConformerSearch_Setup", 0, 6, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42671:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42671 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42671:64: note: in expansion of macro ‘SWIG_fail’
42671 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42673:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42673:64: note: in expansion of macro ‘SWIG_fail’
42673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42675:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42675 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42675:64: note: in expansion of macro ‘SWIG_fail’
42675 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42677:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42677 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42677:64: note: in expansion of macro ‘SWIG_fail’
42677 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42679:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42679 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42679:64: note: in expansion of macro ‘SWIG_fail’
42679 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerSearch_SetSharing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42838:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42838 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42838:64: note: in expansion of macro ‘SWIG_fail’
42838 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42840:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42840 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42840:64: note: in expansion of macro ‘SWIG_fail’
42840 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerSearch_SetLocalOptRate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42971:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42971 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConformerSearch_SetLocalOptRate", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42971:108: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42971 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConformerSearch_SetLocalOptRate", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42973:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42973 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42973:64: note: in expansion of macro ‘SWIG_fail’
42973 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42975:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42975 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42975:64: note: in expansion of macro ‘SWIG_fail’
42975 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42992:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42992 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_bool(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42992:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42992 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_bool(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43001:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43001 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_bool(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43001:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43001 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_bool(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43035:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43035 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0  | 0);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43035:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43035 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0  | 0);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign__SWIG_6(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43085:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43085 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43085:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43085 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43086:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43086 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43086:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43086 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43088:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43088 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAlign", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43088:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43088 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAlign", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43091:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43091:64: note: in expansion of macro ‘SWIG_fail’
43091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43093:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43093 |     if (!_v) goto check_3; { int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_OpenBabel__OBMol, SWIG_POINTER_NO_NULL | 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43093:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43093 |     if (!_v) goto check_3; { int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_OpenBabel__OBMol, SWIG_POINTER_NO_NULL | 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43096:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43096 |     if (!_v) goto check_4; { { int res = SWIG_AsVal_bool(argv[1], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_4;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43096:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43096 |     if (!_v) goto check_4; { { int res = SWIG_AsVal_bool(argv[1], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_4;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43100:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43100 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43100:64: note: in expansion of macro ‘SWIG_fail’
43100 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAlign_SetRef(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43126:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43126 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43126:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43126 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAlign_SetTarget(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43142:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43142 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43142:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43142 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBAlign(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43224:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43224 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43224:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43224 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolAtomIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43266:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43266 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43266:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43266 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43268:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43268 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43268:64: note: in expansion of macro ‘SWIG_fail’
43268 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43270:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43270 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43270:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43270 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43272:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43272 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43272:64: note: in expansion of macro ‘SWIG_fail’
43272 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolAtomIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43314:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43314 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43314:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43314 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43316:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43316 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43316:64: note: in expansion of macro ‘SWIG_fail’
43316 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43318:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43318 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43318:64: note: in expansion of macro ‘SWIG_fail’
43318 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolAtomDFSIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43379:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43379 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomDFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43379:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43379 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomDFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43381:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43381 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43381:64: note: in expansion of macro ‘SWIG_fail’
43381 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43383:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43383 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomDFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43383:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43383 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomDFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43385:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43385 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43385:64: note: in expansion of macro ‘SWIG_fail’
43385 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43387:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43387 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43387:64: note: in expansion of macro ‘SWIG_fail’
43387 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolAtomDFSIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43431:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43431 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomDFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43431:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43431 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomDFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43433:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43433 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43433:64: note: in expansion of macro ‘SWIG_fail’
43433 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43435:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43435 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43435:64: note: in expansion of macro ‘SWIG_fail’
43435 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolAtomBFSIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43504:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43504 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomBFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43504:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43504 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomBFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43506:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43506 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43506:64: note: in expansion of macro ‘SWIG_fail’
43506 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43508:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43508 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43508:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43508 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43510:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43510:64: note: in expansion of macro ‘SWIG_fail’
43510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43512:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43512 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43512:64: note: in expansion of macro ‘SWIG_fail’
43512 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolAtomBFSIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43556:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43556 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomBFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43556:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43556 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomBFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43558:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43558:64: note: in expansion of macro ‘SWIG_fail’
43558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43560:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43560 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43560:64: note: in expansion of macro ‘SWIG_fail’
43560 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBMolBondBFSIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43629:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43629 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBMolBondBFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43629:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43629 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBMolBondBFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43631:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43631 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43631:64: note: in expansion of macro ‘SWIG_fail’
43631 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43633:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43633 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43633:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43633 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43635:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43635 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43635:64: note: in expansion of macro ‘SWIG_fail’
43635 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43637:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43637 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43637:64: note: in expansion of macro ‘SWIG_fail’
43637 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMolBondBFSIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43681:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43681 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMolBondBFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43681:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43681 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMolBondBFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43683:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43683 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43683:64: note: in expansion of macro ‘SWIG_fail’
43683 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43685:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43685 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43685:64: note: in expansion of macro ‘SWIG_fail’
43685 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolBondIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43744:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43744 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolBondIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43744:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43744 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolBondIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43746:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43746 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43746:64: note: in expansion of macro ‘SWIG_fail’
43746 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43748:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43748 |     if (!_v) goto check_2; return _wrap_new__OBMolBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43748:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43748 |     if (!_v) goto check_2; return _wrap_new__OBMolBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43750:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43750 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43750:64: note: in expansion of macro ‘SWIG_fail’
43750 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolBondIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43792:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43792 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolBondIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43792:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43792 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolBondIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43794:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43794:64: note: in expansion of macro ‘SWIG_fail’
43794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43796:64: note: in expansion of macro ‘SWIG_fail’
43796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBAtomAtomIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43847:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43847 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBAtomAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43847:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43847 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBAtomAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43849:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43849 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43849:64: note: in expansion of macro ‘SWIG_fail’
43849 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43851:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43851 |     if (!_v) goto check_2; return _wrap_new__OBAtomAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43851:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43851 |     if (!_v) goto check_2; return _wrap_new__OBAtomAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43853:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43853 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43853:64: note: in expansion of macro ‘SWIG_fail’
43853 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBAtomAtomIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43895:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43895 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBAtomAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43895:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43895 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBAtomAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43897:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43897 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43897:64: note: in expansion of macro ‘SWIG_fail’
43897 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43899:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43899 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43899:64: note: in expansion of macro ‘SWIG_fail’
43899 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBAtomBondIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43950:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43950 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBAtomBondIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43950:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43950 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBAtomBondIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43952:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43952 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43952:64: note: in expansion of macro ‘SWIG_fail’
43952 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43954:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43954 |     if (!_v) goto check_2; return _wrap_new__OBAtomBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43954:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43954 |     if (!_v) goto check_2; return _wrap_new__OBAtomBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43956:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43956 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43956:64: note: in expansion of macro ‘SWIG_fail’
43956 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBAtomBondIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43998:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43998 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBAtomBondIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43998:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43998 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBAtomBondIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44000:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44000 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44000:64: note: in expansion of macro ‘SWIG_fail’
44000 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44002:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44002 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44002:64: note: in expansion of macro ‘SWIG_fail’
44002 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBResidueIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44053:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44053 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBResidueIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44053:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44053 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBResidueIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44055:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44055 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44055:64: note: in expansion of macro ‘SWIG_fail’
44055 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44057:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44057 |     if (!_v) goto check_2; return _wrap_new__OBResidueIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44057:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44057 |     if (!_v) goto check_2; return _wrap_new__OBResidueIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44059:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44059 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44059:64: note: in expansion of macro ‘SWIG_fail’
44059 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBResidueIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44101:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44101 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBResidueIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44101:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44101 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBResidueIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44103:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44103 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44103:64: note: in expansion of macro ‘SWIG_fail’
44103 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44105:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44105:64: note: in expansion of macro ‘SWIG_fail’
44105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBResidueAtomIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44156:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44156 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBResidueAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44156:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44156 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBResidueAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44158:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44158 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44158:64: note: in expansion of macro ‘SWIG_fail’
44158 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44160:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44160 |     if (!_v) goto check_2; return _wrap_new__OBResidueAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44160:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44160 |     if (!_v) goto check_2; return _wrap_new__OBResidueAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44162:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44162 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44162:64: note: in expansion of macro ‘SWIG_fail’
44162 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBResidueAtomIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44205:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44205 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBResidueAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44205:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44205 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBResidueAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44207:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44207 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44207:64: note: in expansion of macro ‘SWIG_fail’
44207 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44209:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44209 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44209:64: note: in expansion of macro ‘SWIG_fail’
44209 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolAngleIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44260:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44260 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAngleIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44260:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44260 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAngleIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44262:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44262 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44262:64: note: in expansion of macro ‘SWIG_fail’
44262 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44264:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44264 |     if (!_v) goto check_2; return _wrap_new__OBMolAngleIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44264:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44264 |     if (!_v) goto check_2; return _wrap_new__OBMolAngleIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44266:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44266:64: note: in expansion of macro ‘SWIG_fail’
44266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolTorsionIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44342:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44342 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolTorsionIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44342:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44342 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolTorsionIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44344:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44344 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44344:64: note: in expansion of macro ‘SWIG_fail’
44344 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44346:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44346 |     if (!_v) goto check_2; return _wrap_new__OBMolTorsionIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44346:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44346 |     if (!_v) goto check_2; return _wrap_new__OBMolTorsionIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44348:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44348 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44348:64: note: in expansion of macro ‘SWIG_fail’
44348 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolPairIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44426:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44426 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolPairIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44426:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44426 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolPairIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44428:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44428 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44428:64: note: in expansion of macro ‘SWIG_fail’
44428 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44430:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44430 |     if (!_v) goto check_2; return _wrap_new__OBMolPairIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44430:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44430 |     if (!_v) goto check_2; return _wrap_new__OBMolPairIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44432:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44432 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44432:64: note: in expansion of macro ‘SWIG_fail’
44432 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolRingIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44508:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44508 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolRingIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44508:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44508 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolRingIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44510:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44510:64: note: in expansion of macro ‘SWIG_fail’
44510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44512:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44512 |     if (!_v) goto check_2; return _wrap_new__OBMolRingIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44512:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44512 |     if (!_v) goto check_2; return _wrap_new__OBMolRingIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44514:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44514 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44514:64: note: in expansion of macro ‘SWIG_fail’
44514 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolRingIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44556:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44556 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolRingIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44556:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44556 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolRingIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44558:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44558:64: note: in expansion of macro ‘SWIG_fail’
44558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44560:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44560 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44560:64: note: in expansion of macro ‘SWIG_fail’
44560 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_doubleArray(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44594:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44594 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44594:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44594 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_doubleArray_frompointer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44630:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44630 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44630:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44630 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTetrahedralStereo_GetConfig(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44835:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44835 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTetrahedralStereo_GetConfig", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44835:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44835 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTetrahedralStereo_GetConfig", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44837:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44837 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44837:64: note: in expansion of macro ‘SWIG_fail’
44837 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44841:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44841 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44841:64: note: in expansion of macro ‘SWIG_fail’
44841 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44844:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44844 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_4: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44844:64: note: in expansion of macro ‘SWIG_fail’
44844 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_4: if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44846:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44846 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44846:64: note: in expansion of macro ‘SWIG_fail’
44846 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44848:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44848 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44848:64: note: in expansion of macro ‘SWIG_fail’
44848 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBCisTransStereo_GetConfig(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45059:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45059 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45059:64: note: in expansion of macro ‘SWIG_fail’
45059 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45063:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45063 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45063:64: note: in expansion of macro ‘SWIG_fail’
45063 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45065:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45065 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45065:64: note: in expansion of macro ‘SWIG_fail’
45065 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSquarePlanarStereo_GetConfig(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45260:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45260 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSquarePlanarStereo_GetConfig", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45260:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45260 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSquarePlanarStereo_GetConfig", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45262:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45262 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45262:64: note: in expansion of macro ‘SWIG_fail’
45262 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45266:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45266:64: note: in expansion of macro ‘SWIG_fail’
45266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45268:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45268 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45268:64: note: in expansion of macro ‘SWIG_fail’
45268 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘void* _p_OpenBabel__CharPtrLessTo_p_std__binary_functionT_char_const_p_char_const_p_bool_t(void*, int*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:50851:27: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
50851 |     return (void *)((std::binary_function< char const *,char const *,bool > *)  ((OpenBabel::CharPtrLess *) x));
      |                           ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 99%] Linking CXX shared module /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/_openbabel.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/scripts && /usr/bin/cmake -E cmake_link_script CMakeFiles/bindings_python.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/bindings_python.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/_openbabel.so "CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o"  -lpython3.13 ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 99%] Built target bindings_python
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 88%] Building CXX object scripts/CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/scripts && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbindings_perl_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/python3.13 -I/usr/lib64/perl5/CORE -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT scripts/CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o -MF CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o.d -o CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/generic.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:1794:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:1795:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:1805:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/stdexcept:41,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:1768:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorInt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2798:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 2798 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2798:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 2798 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorUnsignedInt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2899:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 2899 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2899:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 2899 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2903:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 2903 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2903:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 2903 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2905:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 2905 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2905:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 2905 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorVInt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3016:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3016 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3016:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3016 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3020:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3020 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3020:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3020 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorString(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3237:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3237 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3237:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3237 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3241:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3241 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3241:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3241 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3243:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3243 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3243:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3243 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorVector3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3352:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3352 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3352:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3352 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3356:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3356 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3356:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3356 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3358:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3358 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3358:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3358 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorOBMol(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3471:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3471 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3471:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3471 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3475:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3475 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3475:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3475 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3477:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3477 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3477:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3477 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorOBBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3590:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3590 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3590:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3590 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3594:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3594 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3594:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3594 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3596:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3596 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3596:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3596 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorOBResidue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3709:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3709 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3709:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3709 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3713:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3713 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3713:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3713 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorOBRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3829:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3829 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3829:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3829 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3833:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3833 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3833:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3833 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3835:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3835 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3835:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3835 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorpOBRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3954:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3954 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3954:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3954 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGlobalDataBase_SetReadDirectory(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4336:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4336 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:785:
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4336:47: note: in expansion of macro ‘XSRETURN’
 4336 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGlobalDataBase_SetEnvironmentVariable(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4347:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4347 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4347:47: note: in expansion of macro ‘XSRETURN’
 4347 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGlobalDataBase_ParseLine(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4358:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4358 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4358:47: note: in expansion of macro ‘XSRETURN’
 4358 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_SetFromType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4522:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4522 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4522:47: note: in expansion of macro ‘XSRETURN’
 4522 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_SetToType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4534:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4534 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4534:47: note: in expansion of macro ‘XSRETURN’
 4534 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_Translate__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4549:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4549 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4549:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4549 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4550:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4550 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4550:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4550 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_Translate__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4569:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4569 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4569:43: note: in expansion of macro ‘XSRETURN’
 4569 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_Translate__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4582:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4582 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4582:43: note: in expansion of macro ‘XSRETURN’
 4582 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_Translate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4586:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4586 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4586:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4586 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4588:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4588 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4588:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4588 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4592:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4592 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4592:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4592 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4594:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4594 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4594:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4594 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4596:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4596 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4596:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4596 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4600:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4600 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4600:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4600 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_SetResName(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4641:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4641 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4641:43: note: in expansion of macro ‘XSRETURN’
 4641 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_LookupBO__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4654:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4654 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4654:43: note: in expansion of macro ‘XSRETURN’
 4654 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_LookupBO__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4673:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4673 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4673:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4673 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4674:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4674 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4674:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4674 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_LookupBO(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4678:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4678 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4678:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4678 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4680:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4680 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4680:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4680 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4684:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4684 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4684:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4684 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4686:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4686 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4686:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4686 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4688:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4688 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4688:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4688 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_LookupType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4715:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4715 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4715:43: note: in expansion of macro ‘XSRETURN’
 4715 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_vector3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4910:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4910 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4910:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4910 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_begin(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4969:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4969 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4969:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4969 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4973:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4973 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4973:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4973 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_end(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4990:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4990 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4990:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4990 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4994:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4994 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4994:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4994 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_Set(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5029:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5029 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5029:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5029 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5035:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5035 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5035:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5035 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_add(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5153:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5153 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5153:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5153 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5155:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5155 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5155:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5155 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5159:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5159 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5159:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5159 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_x(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5233:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5233 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5233:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5233 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5237:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5237 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5237:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5237 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_y(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5252:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5252:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5256:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5256:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_z(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5271:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5271 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5271:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5271 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5275:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5275 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5275:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5275 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_matrix3x3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5685:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5685 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5685:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5685 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5687:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5687 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5687:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5687 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5689:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5689 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5689:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5689 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_matrix3x3___call__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5741:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5741 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5741:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5741 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5748:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5748 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5748:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5748 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap___mul__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5997:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5997 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5997:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5997 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6017:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6017 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6017:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6017 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBBitVec(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6088:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6088 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6088:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6088 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBitVec_FirstBit(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6173:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6173 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6173:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6173 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6177:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6177 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6177:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6177 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6179:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6179 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6179:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6179 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBitVec_FromString(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6285:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6285 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6285:43: note: in expansion of macro ‘XSRETURN’
 6285 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap___sub__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6414:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6414 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6414:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6414 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6418:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6418 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6418:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6418 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6420:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6420 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6420:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6420 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBGenericData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6570:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6570 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6570:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6570 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6572:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6572 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6572:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6572 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6576:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6576 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6576:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6576 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6578:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6578 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6578:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6578 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGenericData_SetAttribute(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6618:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6618 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6618:43: note: in expansion of macro ‘XSRETURN’
 6618 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6719:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6719 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6719:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6719 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6723:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6723 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6723:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6723 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6739:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6739 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6739:47: note: in expansion of macro ‘XSRETURN’
 6739 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6753:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6753 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6753:43: note: in expansion of macro ‘XSRETURN’
 6753 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6764:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6764 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6764:47: note: in expansion of macro ‘XSRETURN’
 6764 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6780:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6780 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6780:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6780 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6782:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6782 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6782:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6782 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6786:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6786 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6786:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6786 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6788:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6788 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6788:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6788 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6792:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6792 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6792:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6792 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6846:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6846 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6846:43: note: in expansion of macro ‘XSRETURN’
 6846 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6850:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6850 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6850:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6850 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6852:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6852 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6852:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6852 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6856:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6856 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6856:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6856 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6862:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6862 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6862:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6862 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6864:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6864 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6864:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6864 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6868:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6868 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6868:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6868 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6870:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6870 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6870:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6870 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6917:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6917 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6917:43: note: in expansion of macro ‘XSRETURN’
 6917 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6929:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6929 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6929:47: note: in expansion of macro ‘XSRETURN’
 6929 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6972:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6972 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6972:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6972 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6976:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6976:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6978:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6978 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6978:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6978 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6982:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6982 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6982:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6982 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6988:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6988 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6988:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6988 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6990:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6990 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6990:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6990 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6994:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6994 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6994:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6994 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBCommentData_SetData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7061:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7061 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7061:43: note: in expansion of macro ‘XSRETURN’
 7061 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBCommentData_SetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7071:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7071 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7071:47: note: in expansion of macro ‘XSRETURN’
 7071 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBCommentData_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7076:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7076 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7076:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7076 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7078:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7078 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7078:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7078 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7082:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7082 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7082:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7082 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBExternalBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7145:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7145 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7145:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7145 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7147:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7147 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7147:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7147 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPairData_SetValue__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7272:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7272 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7272:47: note: in expansion of macro ‘XSRETURN’
 7272 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPairData_SetValue__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7285:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7285 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7285:43: note: in expansion of macro ‘XSRETURN’
 7285 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPairData_SetValue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7289:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7289 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7289:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7289 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7291:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7291 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7291:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7291 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7295:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7295 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7295:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7295 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSetData_GetData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7345:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7345 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7345:47: note: in expansion of macro ‘XSRETURN’
 7345 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSetData_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7359:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7359 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7359:43: note: in expansion of macro ‘XSRETURN’
 7359 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSetData_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7372:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7372 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7372:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7372 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7376:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7376 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7376:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7376 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7378:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7378 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7378:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7378 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7382:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7382 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7382:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7382 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBVirtualBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7468:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7468 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7468:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7468 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7470:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7470 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7470:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7470 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7474:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7474 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7474:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7474 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7476:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7476 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7476:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7476 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7478:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7478 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7478:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7478 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7732:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7732 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7732:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7732 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7738:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7738:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7740:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7740 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7740:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7740 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7742:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7742 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7742:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7742 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7744:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7744 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7744:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7744 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7748:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7748 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7748:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7748 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_SetSpaceGroup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7812:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7812 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7812:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7812 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7814:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7814 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7814 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7818:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7818 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7818:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7818 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7824:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7824 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7824:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7824 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7826:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7826 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7826:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7826 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetA(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7872:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7872 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7872:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7872 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7876:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7876 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7876:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7876 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetB(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7900:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7900 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7900:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7900 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7904:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7904 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7904:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7904 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetC(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7928:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7928 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7928:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7928 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7932:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7932 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7932:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7932 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetAlpha(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7957:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7957 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7957:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7957 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7961:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7961 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7961:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7961 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetBeta(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7986:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7986 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7986:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7986 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7990:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7990 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7990:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7990 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetGamma(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8015:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8015 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8015:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8015 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8019:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8019 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8019:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8019 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetOffset(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8043:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8043 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8043:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8043 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8047:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8047 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8047:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8047 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetSpaceGroup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8072:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8072 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8072:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8072 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8076:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8076 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8076:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8076 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetSpaceGroupName(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8101:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8101 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8101:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8101 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8105:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8105 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8105:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8105 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetLatticeType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8154:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8154 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8154:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8154 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8158:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8158 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8158:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8158 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8162:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8162 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8162:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8162 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8168:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8168 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8168:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8168 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetCellVectors(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8201:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8201 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8201:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8201 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8205:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8205 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8205:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8205 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetCellMatrix(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8229:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8229 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8229:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8229 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8233:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8233 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8233:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8233 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetOrthoMatrix(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8258:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8258 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8258:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8258 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8262:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8262 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8262:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8262 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetOrientationMatrix(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8287:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8287 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8287:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8287 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8291:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8291 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8291:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8291 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetFractionalMatrix(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8316:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8316 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8316:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8316 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8320:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8320:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_FractionalToCartesian(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8358:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8358 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8358:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8358 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8360:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8360 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8360:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8360 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8364:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8364 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8364:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8364 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8366:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8366 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8366:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8366 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_CartesianToFractional(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8404:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8404 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8404 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8406:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8406 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8406:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8406 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8410:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8410 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8410:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8410 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8412:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8412 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8412:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8412 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_WrapCartesianCoordinate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8450:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8450 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8450:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8450 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8452:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8452 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8452:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8452 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8456:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8456 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8456:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8456 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8458:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8458 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8458:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8458 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_WrapFractionalCoordinate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8496:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8496 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8496:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8496 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8498:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8498 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8498:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8498 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8502:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8502 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8502:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8502 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8504:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8504 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8504:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8504 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_UnwrapCartesianNear(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8552:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8552 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8552:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8552 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8554:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8554 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8554:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8554 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8556:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8556 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8556:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8556 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8560:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8560 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8560:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8560 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8562:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8562 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8562:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8562 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8564:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8564 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8564:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8564 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_UnwrapFractionalNear(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8612:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8612 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8612:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8612 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8614:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8614 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8614:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8614 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8616:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8616 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8616:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8616 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8620:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8620:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8622:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8622 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8622:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8622 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8624:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8624 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8624:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8624 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_MinimumImageCartesian(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8662:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8662 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8662:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8662 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8664:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8664 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8664:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8664 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8668:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8668 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8668:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8668 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8670:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8670 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8670:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8670 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_MinimumImageFractional(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8708:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8708 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8708:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8708 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8710:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8710 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8710:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8710 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8714:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8714 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8714:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8714 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8716:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8716 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8716:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8716 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetSpaceGroupNumber(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8764:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8764 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8764:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8764 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8768:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8768 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8768:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8768 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8772:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8772 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8772:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8772 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8774:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8774 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8774:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8774 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8778:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8778 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8778:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8778 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8780:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8780 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8780:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8780 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetCellVolume(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8807:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8807 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8807:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8807 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8811:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8811 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8811:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8811 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSymmetryData_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9039:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9039 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9039:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9039 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9041:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9041 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9041:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9041 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9045:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9045 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9045:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9045 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9047:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9047 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9047:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9047 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9049:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9049 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9049:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9049 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTorsion_AddTorsion(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9170:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9170 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9170:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9170 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9176:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9176 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9176:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9176 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9178:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9178 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9178:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9178 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9180:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9180 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9180:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9180 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9182:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9182 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9182:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9182 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9184:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9184 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9184:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9184 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTorsion_SetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9218:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9218 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9218:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9218 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9224:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9224 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9224:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9224 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9228:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9228 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9228:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9228 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTorsion_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9278:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9278 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9278:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9278 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9280:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9280 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9280:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9280 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9284:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9284 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9284:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9284 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9286:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9286 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9286:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9286 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9288:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9288 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9288:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9288 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9402:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9402 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9402:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9402 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAngle_SetAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9484:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9484:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9490:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9490 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9490:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9490 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9492:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9492 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9492:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9492 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9494:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9494 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9494:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9494 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9496:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9496 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9496:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9496 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAngleData_FillAngleArray(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9542:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9542 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9542:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9542 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9548:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9548 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9548:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9548 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9552:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9552 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9552:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9552 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBVibrationData_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9723:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9723 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9723:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9723 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9734:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9734 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9734:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9734 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9738:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9738:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9749:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9749 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< double >* v;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9749:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9749 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< double >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOrbital_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9929:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9929 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9929:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9929 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9935:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9935 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9935:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9935 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9943:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9943 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9943:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9943 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9949:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9949 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9949:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9949 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOrbitalData_SetHOMO(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10052:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10052:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10058:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10058 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10058:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10058 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBVectorData_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10440:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10440 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10440:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10440 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10442:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10442 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10442:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10442 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10446:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10446 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10446:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10446 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_GetAxes(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10823:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10823 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10823:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10823 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10833:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10833 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10833:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10833 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10835:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10835 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10835:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10835 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10837:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10837 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10837:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10837 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10839:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10839 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10839:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10839 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_GetNumberOfPoints(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10879:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10879 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10879:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10879 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10883:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10883:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10885:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10885 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10885:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10885 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10887:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10887 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10887:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10887 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10889:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10889 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10889:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10889 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_GetValue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10946:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10946 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10946:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10946 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10948:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10948 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10948:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10948 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10952:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10952 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10952:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10952 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_GetOriginVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11011:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11011 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11011:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11011 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11015:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11015 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11015:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11015 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_SetLimits(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11118:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11118 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11118:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11118 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11120:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11120 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11120:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11120 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11122:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11122 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11122:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11122 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11124:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11124 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11124:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11124 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11126:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11126 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11126:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11126 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11130:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11130 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11130:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11130 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_Dummy(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11205:45: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11205 | XS(_wrap_new_Dummy) { { int argvi = 0; std::binary_function< char const *,char const *,bool > *result = 0 ; dXSARGS;
      |                                             ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11207:20: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11207 |     result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                    ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11207:81: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11207 |     result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                                                                                 ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_delete_Dummy(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11211:10: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11211 |     std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *) 0 ;
      |          ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11211:74: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11211 |     std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *) 0 ;
      |                                                                          ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11217:36: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11217 |      arg1 = reinterpret_cast< std::binary_function< char const *,char const *,bool > * >(argp1); delete arg1;
      |                                    ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_CharPtrLess___call__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11233:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11233 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11233:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11233 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11234:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11234 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11234:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11234 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_Display__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11282:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11282 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11282:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11282 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11283:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11283 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11283:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11283 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_Display__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11300:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11300 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11300:47: note: in expansion of macro ‘XSRETURN’
11300 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_Display(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11305:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11305:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11307:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11307:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11313:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11313 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11313:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11313 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11315:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11315 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11315:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11315 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_GetPlugin(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11356:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11356 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11356:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11356 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11357:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11357 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11357:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11357 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_ListAsVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11380:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11380 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11380:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11380 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11381:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11381 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11381:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11381 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_List__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11413:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11413 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11413:47: note: in expansion of macro ‘XSRETURN’
11413 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_List(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11421:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11421 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11421:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11421 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11426:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11426 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11426:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11426 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_ListAsString__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11445:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11445 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11445:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11445 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11446:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11446 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11446:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11446 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_ListAsString__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11454:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11454 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11454:47: note: in expansion of macro ‘XSRETURN’
11454 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_ListAsString(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11462:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11462 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11462:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11462 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_FirstLine(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11475:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11475 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11475:47: note: in expansion of macro ‘XSRETURN’
11475 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_Begin(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11484:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11484 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11484:47: note: in expansion of macro ‘XSRETURN’
11484 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_End(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11493:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11493 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11493:47: note: in expansion of macro ‘XSRETURN’
11493 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11552:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11552 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11552:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11552 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11553 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11553:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11553 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11554:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11554 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11554:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11554 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11555:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11555 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11555:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11555 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11589:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11589 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11589:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11589 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11590:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11590 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11590:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11590 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11591:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11591 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11591:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11591 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11592:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11592 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11592:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11592 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11619:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11619 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11619:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11619 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11620:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11620 |     if (SWIG_IsNewObj(res4)) delete arg4; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11620:43: note: in expansion of macro ‘XSRETURN’
11620 |     if (SWIG_IsNewObj(res4)) delete arg4; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11621:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11621 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11621:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11621 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11644:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11644 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11644:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11644 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11646:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11646 |     if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11646:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11646 |     if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_4(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11662:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11662 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11662:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11662 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11663:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11663 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11663:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11663 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_5(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11673:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11673 |     if (SWIG_IsNewObj(res1)) delete arg1; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11673:43: note: in expansion of macro ‘XSRETURN’
11673 |     if (SWIG_IsNewObj(res1)) delete arg1; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11686:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11686 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11686:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11686 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11688:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11688 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11688:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11688 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11692:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11692 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11692:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11692 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11694:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11694 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11694:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11694 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11696:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11696 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11696:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11696 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11700:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11700 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11700:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11700 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11702:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11702 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11702:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11702 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11704:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11704 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11704:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11704 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11706:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11706 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11706:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11706 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11710:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11710 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11710:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11710 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11712:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11712 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11712:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11712 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11714:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11714 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11714:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11714 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11716:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11716 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11716:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11716 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11718:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11718 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11718:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11718 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11722:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11722 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11722:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11722 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11724:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11724 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11724:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11724 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11726:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11726 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11726:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11726 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11728:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11728 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11728:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11728 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11730:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11730 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11730:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11730 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap___lshift__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11768:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11768 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11768:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11768 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11770:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11770 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11770:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11770 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11774:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11774 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11774:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11774 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11780:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11780 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11780:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11780 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11786:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11786 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11786:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11786 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11788:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11788 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11788:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11788 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMessageHandler_ThrowError__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11928:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11928 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11928:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11928 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11929:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11929 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11929:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11929 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMessageHandler_ThrowError__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11950:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11950 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11950:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11950 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11951:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11951 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11951:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11951 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMessageHandler_ThrowError__SWIG_4(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11969:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11969 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11969:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11969 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11970:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11970 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11970:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11970 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMessageHandler_ThrowError(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11974:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11974 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11974:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11974 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11976:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11976 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11976:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11976 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11980:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11980 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11980:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11980 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11982:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11982 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11982:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11982 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11988:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11988 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11988:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11988 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11990:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11990 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11990:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11990 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11992:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11992 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11992:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11992 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11996:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11996 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11996:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11996 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11998:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11998 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11998:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11998 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12000:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12000 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12000:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12000 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12006:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12006 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12006:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12006 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12008:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12008 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12008:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12008 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12010:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12010 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12010:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12010 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_FindType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12194:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12194 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12194:47: note: in expansion of macro ‘XSRETURN’
12194 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_RegisterFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12324:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12324 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12324:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12324 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12325:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12325 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12325:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12325 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_RegisterFormat__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12336:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12336 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12336:47: note: in expansion of macro ‘XSRETURN’
12336 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_RegisterFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12341:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12341 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12341:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12341 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12347:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12347:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_Display__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12373:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12373 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12373:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12373 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12374:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12374 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12374:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12374 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_Display__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12391:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12391 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12391:47: note: in expansion of macro ‘XSRETURN’
12391 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_Display(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12396:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12396 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12396:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12396 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12398:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12398 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12398:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12398 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12404:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12406:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12406:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_FormatFromMIME(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12422:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12422 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12422:47: note: in expansion of macro ‘XSRETURN’
12422 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBConversion(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12498:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12498 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12498:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12498 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12509:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12509 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12509:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12509 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RegisterFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12539:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12539 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12539:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12539 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12540:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12540 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12540:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12540 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RegisterFormat__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12553 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12553:47: note: in expansion of macro ‘XSRETURN’
12553 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RegisterFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12560:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12560 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12560:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12560 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12566:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12566 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12566:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12566 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FindFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12581:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12581 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12581:47: note: in expansion of macro ‘XSRETURN’
12581 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FindFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12595:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12595 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12595:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12595 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FormatFromExt__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12612:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12612 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12612:47: note: in expansion of macro ‘XSRETURN’
12612 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FormatFromExt__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12627:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12627 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12627:47: note: in expansion of macro ‘XSRETURN’
12627 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FormatFromExt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12655:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12655 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12655:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12655 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12670:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12670 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12670:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12670 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FormatFromMIME(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12685:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12685 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12685:47: note: in expansion of macro ‘XSRETURN’
12685 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInStream(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12735:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12735 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12735:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12735 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12741:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12741 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12741:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12741 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOutStream(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12777:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12777 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12777:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12777 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12783:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12783 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12783:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12783 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInAndOutFormats__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12812:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12812 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12812:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12812 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12813:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12813 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12813:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12813 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInAndOutFormats__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12830:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12830 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12830:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12830 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12831:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12831 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12831:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12831 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInAndOutFormats__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12845:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12845 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12845:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12845 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12846:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12846 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12846:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12846 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInAndOutFormats(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12906:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12906 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12906:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12906 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12908:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12908 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12908:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12908 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12910:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12910 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12910:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12910 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12914:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12914 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12914:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12914 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12921:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12921 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12921:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12921 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12923:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12923 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12923:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12923 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12925:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12925 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12925:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12925 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12931:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12931 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12931:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12931 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12940:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12940 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12940:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12940 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12942:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12942 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12942:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12942 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12944:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12944 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12944:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12944 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12952:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12952 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12952:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12952 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12982:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12982 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12982:47: note: in expansion of macro ‘XSRETURN’
12982 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInFormat__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12994:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12994 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12994:47: note: in expansion of macro ‘XSRETURN’
12994 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13026:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13026 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13026:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13026 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13028:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13028 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13028:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13028 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13032:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13032 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13032:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13032 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13038:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13038 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13038:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13038 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13040:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13040 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13040:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13040 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13046:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13046 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13046:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13046 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOutFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13071:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13071 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13071:47: note: in expansion of macro ‘XSRETURN’
13071 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOutFormat__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13083:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13083:47: note: in expansion of macro ‘XSRETURN’
13083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOutFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13115:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13115 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13115:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13115 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13117:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13117 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13117:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13117 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13121:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13121 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13121:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13121 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13127:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13127 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13127:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13127 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13129:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13129 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13129:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13129 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13135:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13135 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13135:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13135 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_IsOption__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13258:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13258 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13258:47: note: in expansion of macro ‘XSRETURN’
13258 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_IsOption(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13274:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13274 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13274:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13274 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13280:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13280 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13280:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13280 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_AddOption__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13335:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13335 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13335:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13335 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_AddOption__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13345:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13345 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13345:47: note: in expansion of macro ‘XSRETURN’
13345 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_AddOption(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13350:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13350 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13350:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13350 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13356:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13356 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13356:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13356 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13363:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13363 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13363:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13363 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RemoveOption(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13389:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13389 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13389:47: note: in expansion of macro ‘XSRETURN’
13389 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOptions(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13405:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13405 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13405:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13405 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RegisterOptionParam(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13454:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13454 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13454:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13454 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13456:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13456 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13456:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13456 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13460:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13460 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13460:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13460 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13462:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13462 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13462:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13462 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13469:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13469 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13469:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13469 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_CopyOptions(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13518:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13518 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13518:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13518 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13520:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13520 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13520:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13520 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13524:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13524 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13524:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13524 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13526:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13526 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13526:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13526 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_Convert(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13577:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13577 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13577:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13577 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13581:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13581 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13581:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13581 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetFirstInput(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13671:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13671 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13671:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13671 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13675:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13675 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13675:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13675 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOneObjectOnly(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13728:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13728 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13728:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13728 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13732:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13732 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13732:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13732 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_Write(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13800:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13800 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13800:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13800 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13802:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13802 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13802:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13802 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13806:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13806 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13806:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13806 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13808:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13808 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13808:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13808 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_WriteString(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13845:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13845 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13845:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13845 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13847:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13847 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13847:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13847 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13851:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13851 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13851:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13851 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13853:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13853 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13853:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13853 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_Read(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13911:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13911 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13911:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13911 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13913:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13913:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13917:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13917:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13919:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13919 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13919:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13919 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_ReportNumberConverted(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13998:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13998 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13998:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13998 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14004:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14004 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14004:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14004 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14008:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14008 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14008:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14008 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidue_SetName(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14093:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14093 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14093:43: note: in expansion of macro ‘XSRETURN’
14093 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidue_SetNum(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14117:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14117 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14117:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14117 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14119:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14119 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14119:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14119 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14123:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14123 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14123:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14123 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14125:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14125 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14125:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14125 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidue_SetAtomID(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14185:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14185 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14185:43: note: in expansion of macro ‘XSRETURN’
14185 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidue_GetBonds(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14310:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14310 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14310:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14310 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14314:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14314 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14314:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14314 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBInternalCoord(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14689:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14689 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14689:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14689 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14693:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14693 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14693:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14693 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14695:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14695 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14695:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14695 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14699:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14699 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14699:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14699 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14701:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14701 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14701:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14701 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14703:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14703 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14703:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14703 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14707:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14707 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14707:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14707 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14709:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14709 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14709:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14709 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14711:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14711 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14711:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14711 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14717:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14717 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14717:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14717 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14719:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14719 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14719:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14719 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14721:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14721 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14721:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14721 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14729:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14729 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14729:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14729 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14731:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14731 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14731:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14731 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14733:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14733 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14733:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14733 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14895:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14895 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14895:47: note: in expansion of macro ‘XSRETURN’
14895 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14908:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14908 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14908:43: note: in expansion of macro ‘XSRETURN’
14908 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14912:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14912 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14912:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14912 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14914:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14914 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14914:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14914 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14918:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14918 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14918:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14918 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14983:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14983 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14983:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14983 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14987:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14987 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14987:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14987 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14989:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14989 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14989:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14989 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14993:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14993 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14993:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14993 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15044:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15044 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15044:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15044 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15048:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15048 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15048:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15048 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15074:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15074 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15074:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15074 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15078:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15078 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15078:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15078 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15316:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15316 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15316:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15316 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15320:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15320:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15483:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15483 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15483:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15483 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15485:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15485 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15485:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15485 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15489:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15489 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15489:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15489 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15491:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15491 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15491:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15491 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15495:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15495 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15495:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15495 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15534:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15534 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15534:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15534 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15536:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15536 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15536:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15536 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15538:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15538 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15538:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15538 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15542:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15542 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15542:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15542 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15674:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15674 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15674:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15674 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15678:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15678 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15678:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15678 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15966:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15966 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15966:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15966 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15970:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15970 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15970:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15970 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16044:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16044 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16044:47: note: in expansion of macro ‘XSRETURN’
16044 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetLength(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16160:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16160 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16160:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16160 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16166:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16166 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16166:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16166 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16168:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16168 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16168:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16168 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16217:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16217 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16217:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16217 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16221:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16221 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16221:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16221 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetWedge(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16247:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16247 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16247:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16247 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16251:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16251 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16251:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16251 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16277:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16277 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16277:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16277 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16281:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16281 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16281:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16281 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetWedgeOrHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16307:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16307:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16311:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16311 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16311:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16311 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16337:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16337 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16337:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16337 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16341:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16341 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16341:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16341 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetClosure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16367:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16367 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16367:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16367 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16371:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16371 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16371:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16371 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_GetBeginAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16447:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16447 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16447:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16447 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16451:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16451 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16451:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16451 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_GetEndAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16476:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16476 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16476:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16476 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16480:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16480 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16480:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16480 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_IsRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16576:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16576 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16576:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16576 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16580:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16580 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16580:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16580 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBMol(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16699:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16699 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16699:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16699 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AddAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16799:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16799 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16799:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16799 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16801:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16801 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16801:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16801 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16805:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16805 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16805:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16805 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16807:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16807 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16807:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16807 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AddBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16897:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16897 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16897:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16897 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16899:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16899 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16899:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16899 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16903:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16903 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16903:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16903 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16912:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16912 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16912:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16912 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16922:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16922 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16922:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16922 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_NewAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16972:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16972 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16972:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16972 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16976:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16976:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16978:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16978 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16978:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16978 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_NewBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17005:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17005 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17005:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17005 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17009:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17009 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17009:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17009 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17011:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17011 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17011:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17011 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_DeleteAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17053:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17053 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17053:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17053 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17055:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17055 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17055:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17055 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17059:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17059 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17059:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17059 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17061:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17061 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17061:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17061 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_DeleteBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17098:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17098 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17098:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17098 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17100:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17100 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17100:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17100 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17104:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17104 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17104:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17104 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17106:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17106 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17106:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17106 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_DeleteResidue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17143:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17143 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17143:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17143 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17145:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17145 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17145:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17145 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17149:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17149 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17149:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17149 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17151:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17151 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17151:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17151 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_EndModify(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17183:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17183 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17183:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17183 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17187:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17187 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17187:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17187 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17239:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17239 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17239:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17239 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17243:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17243:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_NumRotors(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17302:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17302 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17302:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17302 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17306:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17306 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17306:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17306 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17401:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17401 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17401:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17401 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17407:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17407 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17407:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17407 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17409:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17409 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17409:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17409 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17411:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17411 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17411:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17411 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17415:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17415 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17415:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17415 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetTorsion(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17487:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17487 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17487:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17487 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17489:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17489 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17489:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17489 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17491:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17491 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17491:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17491 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17493:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17493 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17493:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17493 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17495:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17495 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17495:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17495 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17499:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17499 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17499:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17499 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetSpacedFormula__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17567:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17567 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17567:47: note: in expansion of macro ‘XSRETURN’
17567 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetSpacedFormula__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17582:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17582 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17582:47: note: in expansion of macro ‘XSRETURN’
17582 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetSpacedFormula(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17606:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17606 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17606:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17606 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17610:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17610 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17610:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17610 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17616:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17616 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17616:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17616 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17623:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17623 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17623:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17623 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetMolWt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17663:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17663 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17663:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17663 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17667:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17667 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17667:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17667 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetExactMass(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17695:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17695 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17695:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17695 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17699:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17699 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17699:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17699 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetTitle__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17779:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17779 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17779:47: note: in expansion of macro ‘XSRETURN’
17779 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17796:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17796 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17796:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17796 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17798:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17798 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17798:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17798 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17802:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17802 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17802:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17802 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetAromaticPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17913:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17913:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17917:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17917:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetSSSRPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17943:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17943 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17943:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17943 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17947:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17947 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17947:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17947 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetLSSRPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17973:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17973 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17973:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17973 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17977:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17977 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17977:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17977 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetRingAtomsAndBondsPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18004:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18004 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18004:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18004 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18008:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18008 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18008:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18008 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetAtomTypesPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18035:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18035 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18035:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18035 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18039:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18039 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18039:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18039 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetRingTypesPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18066:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18066 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18066:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18066 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18070:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18070 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18070:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18070 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetChainsPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18097:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18097 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18097:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18097 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18101:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18101 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18101:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18101 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetChiralityPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18128:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18128 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18128:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18128 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18132:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18132 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18132:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18132 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetPartialChargesPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18159:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18159 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18159:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18159 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18163:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18163 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18163:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18163 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetHybridizationPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18190:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18190 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18190:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18190 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18194:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18194 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18194:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18194 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetClosureBondsPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18221:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18221 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18221:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18221 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18225:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18225 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18225:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18225 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetHydrogensAdded(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18251:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18251 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18251:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18251 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18255:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18255 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18255:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18255 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetCorrectedForPH(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18281:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18281:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18285:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18285:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetSpinMultiplicityAssigned(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18312:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18312:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18316:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18316:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetIsPatternStructure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18343:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18343 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18343:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18343 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18347:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18347:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetIsReaction(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18373:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18373 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18373:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18373 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18377:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18377 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18377:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18377 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetPeriodicMol(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18403:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18403 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18403:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18403 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18407:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18407 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18407:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18407 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_RenumberAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18487:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18487 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18487:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18487 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18493:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18493 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18493:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18493 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_ToInertialFrame(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18533:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18533 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18533:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18533 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18537:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18537 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18537:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18537 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Translate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18576:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18576 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18576:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18576 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18578:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18578 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18578:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18578 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18582:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18582 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18582:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18582 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18584:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18584 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18584:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18584 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Rotate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18627:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18627:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18633:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18633 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18633:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18633 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18639:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18639 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18639:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18639 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_DeleteHydrogens(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18676:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18676 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18676:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18676 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18680:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18680 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18680:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18680 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18682:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18682 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18682:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18682 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AddHydrogens(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18778:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18778 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18778:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18778 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18782:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18782 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18782:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18782 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18784:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18784 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18784:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18784 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18788:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18788 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18788:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18788 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18794:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18794 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18794:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18794 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18802:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18802 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18802:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18802 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AddNewHydrogens(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18878:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18878 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18878:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18878 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18884:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18884 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18884:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18884 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18892:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18892 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18892:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18892 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_StripSalts(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18925:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18925 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18925:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18925 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18929:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18929 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18929:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18929 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18931:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18931 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18931:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18931 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Separate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18962:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18962 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18962:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18962 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18966:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18966 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18966:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18966 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_CopySubstructure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19121:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19121 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19121:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19121 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19123:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19123 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19123:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19123 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19125:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19125 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19125:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19125 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19129:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19129 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19129:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19129 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19131:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19131 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19131:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19131 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19133:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19133 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19133:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19133 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19135:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19135 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19135:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19135 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19139:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19139 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19139:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19139 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19141:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19141 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19141:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19141 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19143:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19143 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19143:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19143 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19145:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19145 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19145:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19145 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19147:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19147 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19147:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19147 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19151:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19151 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19151:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19151 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19153:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19153 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19153:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19153 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19155:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19155 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19155:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19155 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19157:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19157 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19157:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19157 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19159:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19159 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19159:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19159 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19161:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19161 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19161:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19161 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19165:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19165 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19165:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19165 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19167:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19167 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19167:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19167 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19169:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19169 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19169:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19169 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19171:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19171 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19171:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19171 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19173:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19173 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19173:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19173 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19175:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19175 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19175:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19175 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19177:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19177 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19177:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19177 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_CorrectForPH(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19228:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19228 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19228:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19228 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19232:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19232 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19232:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19232 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AssignSpinMultiplicity(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19261:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19261 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19261:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19261 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19265:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19265 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19265:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19265 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Center(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19297:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19297 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19297:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19297 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19301:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19301 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19301:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19301 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_FindChildren(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19393:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19393 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19393:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19393 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19395:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19395 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19395:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19395 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19402:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19402 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19402:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19402 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19406:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19406:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19408:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19408 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19408:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19408 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Has2D(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19545:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19545 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19545:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19545 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19549:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19549 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19549:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19549 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetEnergy(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19807:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19807 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19807:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19807 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19811:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19811 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19811:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19811 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_ThrowError__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20021:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20021 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20021:47: note: in expansion of macro ‘XSRETURN’
20021 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_ThrowError(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20034:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20034 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20034:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20034 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_NewExtension(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20083:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20083:47: note: in expansion of macro ‘XSRETURN’
20083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRing__path_set(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20172:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20172 |     if (arg1) (arg1)->_path = *arg2; ST(argvi) = &PL_sv_undef; XSRETURN(argvi); fail: SWIG_croak_null(); }  }
      |     ^~
In file included from /usr/lib64/perl5/CORE/perl.h:6194:
/usr/lib64/perl5/CORE/embedvar.h:285:49: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  285 | # define PL_stack_base                          (vTHX->Istack_base)
      |                                                 ^
/usr/lib64/perl5/CORE/XSUB.h:117:17: note: in expansion of macro ‘PL_stack_base’
  117 | #define ST(off) PL_stack_base[ax + (off)]
      |                 ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20172:38: note: in expansion of macro ‘ST’
20172 |     if (arg1) (arg1)->_path = *arg2; ST(argvi) = &PL_sv_undef; XSRETURN(argvi); fail: SWIG_croak_null(); }  }
      |                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20249:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20249 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20249:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20249 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20253:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20253 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20253:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20253 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20259:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20259 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20259:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20259 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRing_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20298:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20298 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20298:47: note: in expansion of macro ‘XSRETURN’
20298 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRing_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20315:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20315 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20315:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20315 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20317:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20317 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20317:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20317 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20321:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20321 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20321:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20321 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRing_IsMember(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20367:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20367 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20367:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20367 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20369:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20369 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20369:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20369 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20373:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20373 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20373:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20373 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20375:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20375 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20375:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20375 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_Init__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20619:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20619 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20619:47: note: in expansion of macro ‘XSRETURN’
20619 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_Init__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20633:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20633 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20633:43: note: in expansion of macro ‘XSRETURN’
20633 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_Init(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20637:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20637 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20637:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20637 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20639:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20639 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20639:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20639 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20643:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20643 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20643:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20643 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_Match(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20831:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20831 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20831:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20831 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20833:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20833 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20833:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20833 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20837:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20837 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20837:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20837 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20839:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20839 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20839:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20839 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20845:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20845 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20845:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20845 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20847:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20847 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20847:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20847 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20853:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20853 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20853:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20853 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20855:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20855 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20855:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20855 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_RestrictedMatch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20966:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20966 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20966:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20966 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20968:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20968 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20968:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20968 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20974:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20974 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20974:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20974 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20976:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20976:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20982:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20982 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20982:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20982 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20984:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20984 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20984:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20984 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20992:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20992 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20992:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20992 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20994:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20994 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20994:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20994 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsMatcher_match(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21126:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21126 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21126:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21126 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21128:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21128 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21128:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21128 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21130:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21130 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21130:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21130 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21136:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21136 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21136:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21136 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21138:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21138 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21138:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21138 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21140:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21140 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21140:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21140 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSSMatch_Match(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21200:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21200 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21200:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21200 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21206:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21206 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21206:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21206 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_AliasData_SetAlias__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21245:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21245 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21245:43: note: in expansion of macro ‘XSRETURN’
21245 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_AliasData_SetAlias__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21255:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21255 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21255:47: note: in expansion of macro ‘XSRETURN’
21255 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_AliasData_SetAlias(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21260:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21260 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21260:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21260 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21262:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21262 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21262:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21262 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21266:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21266 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21266:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21266 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_AliasData_GetAlias(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21295:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21295 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21295:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21295 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21299:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21299 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21299:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21299 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBDescriptor__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21378:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21378 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21378:47: note: in expansion of macro ‘XSRETURN’
21378 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBDescriptor__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21388:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21388 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21388:47: note: in expansion of macro ‘XSRETURN’
21388 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBDescriptor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21396:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21396 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21396:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21396 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_FindType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21411:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21411 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21411:47: note: in expansion of macro ‘XSRETURN’
21411 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Predict(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21443:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21443 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21443:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21443 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21445:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21445 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21445:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21445 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21449:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21449 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21449:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21449 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21451:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21451 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21451:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21451 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21453:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21453 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21453:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21453 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_PredictAndSave(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21488:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21488 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21488:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21488 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21490:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21490 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21490:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21490 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21494:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21494 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21494:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21494 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21496:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21496 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21496:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21496 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21498:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21498 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21498:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21498 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_GetStringValue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21544:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21544 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21544:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21544 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21546:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21546 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21546:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21546 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21548:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21548 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21548:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21548 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21552:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21552 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21552:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21552 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21554:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21554 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21554:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21554 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21556:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21556 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21556:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21556 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21558:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21558 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21558:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21558 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Compare(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21610:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21610 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21610:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21610 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21612:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21612 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21612:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21612 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21614:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21614 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21614:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21614 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21620:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21620:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21622:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21622 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21622:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21622 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21624:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21624 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21624:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21624 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21628:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21628 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21628:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21628 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Display__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21652:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21652 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21652:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21652 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21653:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21653 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21653:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21653 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Display__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21670:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21670 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21670:47: note: in expansion of macro ‘XSRETURN’
21670 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Display(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21675:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21675 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21675:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21675 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21677:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21677 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21677:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21677 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21683:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21683 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21683:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21683 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21685:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21685 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21685:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21685 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Order(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21725:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21725 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21725:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21725 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21733:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21733 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21733:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21733 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21735:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21735 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21735:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21735 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21737:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21737 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21737:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21737 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_AddProperties(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21769:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21769 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21769:43: note: in expansion of macro ‘XSRETURN’
21769 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_DeleteProperties(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21781:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21781 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21781:43: note: in expansion of macro ‘XSRETURN’
21781 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_GetValues(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21794:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21794 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21794:43: note: in expansion of macro ‘XSRETURN’
21794 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_FindType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23072:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23072 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23072:47: note: in expansion of macro ‘XSRETURN’
23072 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_FindForceField__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23097:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23097 |     if (SWIG_IsNewObj(res1)) delete arg1; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23097:43: note: in expansion of macro ‘XSRETURN’
23097 |     if (SWIG_IsNewObj(res1)) delete arg1; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_FindForceField__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23106:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23106 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23106:47: note: in expansion of macro ‘XSRETURN’
23106 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_FindForceField(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23111:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23111 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23111:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23111 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SetParameterFile(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23131:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23131 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23131:43: note: in expansion of macro ‘XSRETURN’
23131 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_Setup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23183:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23183 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23183:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23183 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23185:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23185 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23185:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23185 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23189:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23189 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23189:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23189 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23191:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23191 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23191:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23191 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_GetGrid(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23383:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23383 |     if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23383:47: note: in expansion of macro ‘XSRETURN’
23383 |     if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_GetGradient(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23600:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23600 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23600:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23600 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23602:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23602 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23602:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23602 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23606:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23606 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23606:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23606 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23608:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23608 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23608:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23608 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_Energy(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23645:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23645 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23645:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23645 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23649:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23649 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23649:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23649 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_Bond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23678:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23678 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23678:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23678 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23682:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23682 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23682:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23682 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_Angle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23711:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23711 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23711:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23711 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23715:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23715 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23715:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23715 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_StrBnd(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23744:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23744 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23744:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23744 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23748:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23748 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23748:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23748 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_Torsion(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23777:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23777 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23777:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23777 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23781:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23781 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23781:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23781 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_OOP(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23810:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23810 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23810:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23810 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23814:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23814 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23814 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_VDW(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23843:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23843 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23843:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23843 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23847:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23847 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23847:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23847 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_Electrostatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23876:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23876 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23876:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23876 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23880:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23880 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23880:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23880 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_OBFFLog__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23964:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23964 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23964:47: note: in expansion of macro ‘XSRETURN’
23964 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_OBFFLog(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23969:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23969 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23969:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23969 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23971:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23971 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23971:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23971 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23975:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23975 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23975:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23975 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SystematicRotorSearch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24023:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24023 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24023:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24023 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24027:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24027 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24027:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24027 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24029:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24029 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24029:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24029 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24033:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24033 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24033:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24033 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24035:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24035 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24035:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24035 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SystematicRotorSearchInitialize(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24082:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24082 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24082:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24082 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24086:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24086 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24086:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24086 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24088:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24088 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24088:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24088 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24092:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24092 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24092:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24092 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24094:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24094 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24094:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24094 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SystematicRotorSearchNextConformer(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24125:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24125 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24125:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24125 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24129:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24129 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24129:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24129 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24131:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24131 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24131:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24131 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_RandomRotorSearch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24180:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24180 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24180:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24180 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24182:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24182 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24182:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24182 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24186:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24186 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24186:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24186 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24188:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24188 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24188:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24188 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24190:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24190 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24190:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24190 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24194:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24194 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24194:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24194 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24196:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24196 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24196:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24196 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24198:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24198 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24198:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24198 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_RandomRotorSearchInitialize(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24250:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24250 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24250:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24250 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24252:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24252:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24256:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24256:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24258:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24258 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24258:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24258 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24260:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24260 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24260:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24260 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24264:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24264 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24264:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24264 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24266:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24266 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24266:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24266 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24268:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24268 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24268:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24268 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_RandomRotorSearchNextConformer(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24299:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24299 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24299:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24299 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24303:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24303 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24303:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24303 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24305:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24305 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24305:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24305 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_WeightedRotorSearch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24344:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24344 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24344:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24344 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24346:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24346 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24346:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24346 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24348:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24348 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24348:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24348 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24352:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24352 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24352:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24352 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24354:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24354 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24354:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24354 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24356:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24356 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24356:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24356 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_LineSearch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24416:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24416 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24416:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24416 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24418:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24418 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24418:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24418 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24420:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24420 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24420:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24420 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24424:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24424 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24424:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24424 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SteepestDescent(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24502:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24502 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24502:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24502 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24508:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24508 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24508:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24508 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24516:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24516 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24516:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24516 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SteepestDescentInitialize(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24575:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24575 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24575:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24575 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24579:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24579 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24579:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24579 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24585:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24585 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24585:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24585 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24593:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24593 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24593:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24593 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_ConjugateGradients(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24657:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24657 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24657:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24657 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24663:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24663 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24663:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24663 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24671:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24671 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24671:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24671 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_ConjugateGradientsInitialize(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24730:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24730 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24730:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24730 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24734:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24734 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24734:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24734 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24740:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24740 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24740:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24740 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24748:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24748 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24748:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24748 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_MolecularDynamicsTakeNSteps(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24836:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24836:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24844:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24844 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24844:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24844 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24854:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24854 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24854:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24854 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_VectorAngleDerivative(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25171:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25171 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25171:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25171 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25173:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25173 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25173:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25173 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25175:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25175 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25175:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25175 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_VectorOOPDerivative(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25258:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25258 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25258:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25258 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25260:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25260 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25260:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25260 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25262:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25262 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25262:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25262 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25264:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25264 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25264:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25264 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_VectorTorsionDerivative(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25351:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25351 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25351:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25351 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25353:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25353 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25353:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25353 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25355:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25355 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25355:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25355 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25357:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25357 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25357:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25357 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBuilder_Build(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25599:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25599 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25599:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25599 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25601:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25601 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25601:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25601 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25605:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25605 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25605:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25605 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25607:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25607 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25607:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25607 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBuilder_GetNewBondVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25689:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25689 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25689:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25689 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25693:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25693 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25693:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25693 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBuilder_Connect(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25781:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25781 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25781:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25781 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25788:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25788 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25788:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25788 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25797:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25797 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25797:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25797 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25806:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25806 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25806:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25806 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBuilder_CorrectStereoAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25874:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25874 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25874:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25874 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25878:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25878 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25878:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25878 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_FindType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25934:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25934 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25934:47: note: in expansion of macro ‘XSRETURN’
25934 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_Do__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25960:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25960 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25960:47: note: in expansion of macro ‘XSRETURN’
25960 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_Do__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25981:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25981 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25981:47: note: in expansion of macro ‘XSRETURN’
25981 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_Do__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25997:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25997 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25997:47: note: in expansion of macro ‘XSRETURN’
25997 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_Do(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26013:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26013 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26013:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26013 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26015:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26015 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26015:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26015 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26019:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26019 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26019:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26019 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26021:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26021 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26021:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26021 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26027:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26027 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26027:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26027 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26029:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26029 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26029:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26029 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26037:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26037 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26037:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26037 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26039:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26039 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26039:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26039 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBRotorRule(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26126:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26126 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26126:47: note: in expansion of macro ‘XSRETURN’
26126 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotor_SetDihedralAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26314:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26314 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26314:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26314 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26316:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26316 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26316:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26316 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26320:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26320:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotor_SetRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26409:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26409 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26409:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26409 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26416:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26416 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26416:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26416 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotor_Set(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26504:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26504 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26504:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26504 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26511:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26511 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26511:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26511 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26520:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26520 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26520:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26520 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotor_GetDihedralAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26579:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26579 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26579:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26579 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26583:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26583 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26583:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26583 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotorList_Setup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26834:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26834 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26834:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26834 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26836:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26836:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26840:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26840 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26840:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26840 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26842:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26842 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26842:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26842 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotorList_FindRotors(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26925:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26925 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26925:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26925 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26927:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26927 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26927:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26927 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26931:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26931 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26931:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26931 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26933:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26933 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26933:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26933 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotamerList_Setup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27235:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27235 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27235:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27235 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27237:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27237 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27237:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27237 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27243:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27243:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27245:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27245 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27245:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27245 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27247:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27247 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27247:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27247 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotamerList_AddRotamer(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27318:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27318 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27318:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27318 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27324:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27324 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27324:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27324 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27330:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27330 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27330:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27330 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27332:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27332 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27332:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27332 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27336:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27336 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27336:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27336 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotamerList_SetBaseCoordinateSets(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27471:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27471 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27471:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27471 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27473:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27473 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27473:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27473 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27477:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27477 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27477:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27477 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27481:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27481 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27481:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27481 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolAtomIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27592:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27592 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27592:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27592 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27640:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27640 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27640:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27640 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27644:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27644 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27644:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27644 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27800:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27800 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27800:47: note: in expansion of macro ‘XSRETURN’
27800 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27813:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27813 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27813:43: note: in expansion of macro ‘XSRETURN’
27813 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27817:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27817 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27817:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27817 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27819:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27819 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27819:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27819 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27823:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27823 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27823:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27823 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27879:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27879 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27879:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27879 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27883:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27883:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27885:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27885 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27885:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27885 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27889:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27889 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27889:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27889 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27951:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27951 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27951:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27951 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27955:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27955 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27955:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27955 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27982:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27982 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27982:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27982 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27986:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27986 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27986:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27986 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28226:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28226 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28226:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28226 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28230:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28230 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28230:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28230 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28398:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28398 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28398:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28398 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28400:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28400 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28400:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28400 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28404:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28406:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28406:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28410:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28410 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28410:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28410 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28449:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28449 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28449:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28449 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28451:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28451 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28451:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28451 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28453:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28453 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28453:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28453 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28457:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28457 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28457:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28457 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28591:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28591 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28591:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28591 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28595:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28595 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28595:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28595 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28898:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28898 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28898:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28898 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28902:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28902 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28902:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28902 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28982:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28982 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28982:47: note: in expansion of macro ‘XSRETURN’
28982 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29038:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29038 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29038:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29038 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29042:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29042 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29042:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29042 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29058:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29058 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29058:47: note: in expansion of macro ‘XSRETURN’
29058 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29072:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29072 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29072:43: note: in expansion of macro ‘XSRETURN’
29072 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29083:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29083:47: note: in expansion of macro ‘XSRETURN’
29083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29099:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29099 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29099:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29099 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29101:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29101 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29101:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29101 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29105:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29105 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29105:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29105 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29107:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29107 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29107:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29107 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29111:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29111 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29111:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29111 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29165:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29165 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29165:43: note: in expansion of macro ‘XSRETURN’
29165 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29169:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29169 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29169:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29169 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29171:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29171 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29171:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29171 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29175:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29175 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29175:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29175 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29181:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29181 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29181:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29181 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29183:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29183 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29183:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29183 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29187:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29187 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29187:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29187 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29189:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29189 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29189:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29189 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29240:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29240 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29240:43: note: in expansion of macro ‘XSRETURN’
29240 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29252:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29252 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29252:47: note: in expansion of macro ‘XSRETURN’
29252 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29281:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29281:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29285:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29285:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29287:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29287 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29287:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29287 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29291:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29291 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29291:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29291 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29297:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29297 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29297:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29297 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29299:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29299 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29299:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29299 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29303:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29303 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29303:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29303 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolAtomDFSIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29385:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29385 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29385:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29385 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29393:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29393 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29393:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29393 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29442:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29442 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29442:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29442 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29446:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29446 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29446:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29446 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29610:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29610 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29610:47: note: in expansion of macro ‘XSRETURN’
29610 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29623:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29623 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29623:43: note: in expansion of macro ‘XSRETURN’
29623 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29627:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29627:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29629:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29629 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29629:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29629 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29633:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29633 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29633:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29633 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29689:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29689 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29689:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29689 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29693:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29693 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29693:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29693 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29695:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29695 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29695:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29695 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29699:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29699 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29699:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29699 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29761:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29761 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29761:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29761 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29765:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29765 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29765:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29765 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29792:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29792 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29792:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29792 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29796:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29796 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29796:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29796 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30036:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30036 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30036:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30036 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30040:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30040 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30040:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30040 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30208:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30208 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30208:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30208 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30210:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30210 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30210:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30210 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30214:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30214 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30214:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30214 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30216:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30216 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30216:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30216 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30220:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30220 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30220:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30220 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30260:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30260 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30260:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30260 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30262:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30262 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30262:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30262 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30264:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30264 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30264:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30264 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30268:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30268 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30268:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30268 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30404:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30404 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30404 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30408:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30408 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30408:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30408 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30712:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30712 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30712:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30712 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30716:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30716 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30716:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30716 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30796 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30796:47: note: in expansion of macro ‘XSRETURN’
30796 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30852:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30852 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30852:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30852 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30856:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30856 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30856:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30856 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30872:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30872 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30872:47: note: in expansion of macro ‘XSRETURN’
30872 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30886:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30886 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30886:43: note: in expansion of macro ‘XSRETURN’
30886 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30897:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30897 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30897:47: note: in expansion of macro ‘XSRETURN’
30897 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30913:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30913:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30915:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30915 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30915:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30915 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30919:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30919 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30919:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30919 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30921:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30921 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30921:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30921 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30925:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30925 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30925:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30925 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30979:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30979 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30979:43: note: in expansion of macro ‘XSRETURN’
30979 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30983:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30983 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30983:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30983 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30985:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30985 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30985:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30985 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30989:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30989 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30989:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30989 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30995:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30995 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30995:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30995 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30997:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30997 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30997:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30997 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31001:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31001 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31001:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31001 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31003:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31003 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31003:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31003 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31054:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31054 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31054:43: note: in expansion of macro ‘XSRETURN’
31054 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31066:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31066 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31066:47: note: in expansion of macro ‘XSRETURN’
31066 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31095:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31095 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31095:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31095 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31099:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31099 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31099:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31099 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31101:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31101 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31101:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31101 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31105:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31105 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31105:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31105 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31111:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31111 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31111:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31111 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31113:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31113 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31113:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31113 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31117:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31117 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31117:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31117 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolAtomBFSIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31201:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31201 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31201:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31201 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31209:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31209 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31209:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31209 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31258:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31258 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31258:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31258 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31262:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31262 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31262:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31262 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31427:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31427 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31427:47: note: in expansion of macro ‘XSRETURN’
31427 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31440:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31440 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31440:43: note: in expansion of macro ‘XSRETURN’
31440 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31444:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31444 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31444:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31444 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31446:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31446 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31446:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31446 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31450:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31450 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31450:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31450 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31506:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31506 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31506:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31506 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31510:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31510 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31510:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31510 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31512:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31512 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31512:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31512 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31516:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31516 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31516:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31516 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31578:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31578 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31578:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31578 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31582:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31582 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31582:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31582 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31609:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31609 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31609:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31609 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31613:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31613 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31613:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31613 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31853:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31853 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31853:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31853 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31857:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31857 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31857:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31857 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32025:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32025 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32025:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32025 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32027:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32027 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32027:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32027 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32031:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32031 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32031:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32031 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32033:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32033 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32033:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32033 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32037:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32037 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32037:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32037 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32077:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32077 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32077:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32077 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32079:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32079 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32079:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32079 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32081:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32081 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32081:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32081 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32085:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32085 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32085:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32085 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32221:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32221 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32221:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32221 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32225:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32225 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32225:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32225 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32529:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32529 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32529:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32529 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32533:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32533 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32533:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32533 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32613:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32613 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32613:47: note: in expansion of macro ‘XSRETURN’
32613 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32669:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32669 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32669:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32669 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32673:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32673 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32673:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32673 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32689:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32689 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32689:47: note: in expansion of macro ‘XSRETURN’
32689 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32703:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32703 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32703:43: note: in expansion of macro ‘XSRETURN’
32703 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32714:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32714 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32714:47: note: in expansion of macro ‘XSRETURN’
32714 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32730:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32730 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32730:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32730 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32732:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32732 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32732:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32732 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32736:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32736 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32736:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32736 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32738:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32738:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32742:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32742 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32742:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32742 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32796 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32796:43: note: in expansion of macro ‘XSRETURN’
32796 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32800:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32800 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32800:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32800 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32802:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32802 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32802:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32802 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32806:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32806 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32806:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32806 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32812:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32812 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32812:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32812 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32814:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32814 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32814 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32818:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32818 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32818:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32818 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32820:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32820 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32820:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32820 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32871:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32871 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32871:43: note: in expansion of macro ‘XSRETURN’
32871 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32883:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32883 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32883:47: note: in expansion of macro ‘XSRETURN’
32883 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32912:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32912 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32912:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32912 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32916:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32916 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32916:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32916 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32918:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32918 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32918:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32918 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32922:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32922 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32922:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32922 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32928:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32928 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32928:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32928 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32930:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32930 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32930:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32930 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32934:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32934 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32934:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32934 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBMolBondBFSIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33018:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33018 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33018:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33018 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33026:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33026 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33026:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33026 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33075:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33075 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33075:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33075 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33079:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33079 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33079:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33079 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetLength(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33218:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33218 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33218:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33218 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33224:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33224 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33224:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33224 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33226:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33226 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33226:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33226 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33276:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33276 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33276:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33276 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33280:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33280 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33280:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33280 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetWedge(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33307:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33307:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33311:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33311 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33311:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33311 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33338:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33338 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33338:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33338 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33342:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33342 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33342:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33342 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetWedgeOrHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33369:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33369 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33369:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33369 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33373:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33373 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33373:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33373 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33400:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33400 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33400:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33400 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33404:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetClosure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33431:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33431 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33431:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33431 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33435:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33435 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33435:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33435 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetBeginAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33509:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33509 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33509:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33509 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33513:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33513 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33513:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33513 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetEndAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33537:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33537 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33537:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33537 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33541:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33541 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33541:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33541 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_IsRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33640:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33640 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33640:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33640 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33644:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33644 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33644:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33644 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33809:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33809 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33809:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33809 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33813:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33813 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33813:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33813 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33829:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33829 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33829:47: note: in expansion of macro ‘XSRETURN’
33829 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33843:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33843 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33843:43: note: in expansion of macro ‘XSRETURN’
33843 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33854:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33854 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33854:47: note: in expansion of macro ‘XSRETURN’
33854 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33870:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33870 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33870:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33870 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33872:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33872 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33872:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33872 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33876:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33876 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33876:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33876 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33878:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33878 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33878:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33878 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33882:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33882 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33882:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33882 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33936:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33936 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33936:43: note: in expansion of macro ‘XSRETURN’
33936 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33940:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33940 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33940:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33940 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33942:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33942 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33942:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33942 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33946:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33946 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33946:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33946 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33952:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33952 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33952:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33952 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33954:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33954 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33954:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33954 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33958:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33958 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33958:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33958 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33960:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33960 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33960:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33960 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34011:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34011 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34011:43: note: in expansion of macro ‘XSRETURN’
34011 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34023:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34023 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34023:47: note: in expansion of macro ‘XSRETURN’
34023 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34052:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34052:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34056:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34056 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34056:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34056 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34058:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34058 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34058:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34058 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34062:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34062 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34062:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34062 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34068:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34068 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34068:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34068 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34070:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34070 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34070:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34070 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34074:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34074 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34074:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34074 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolBondIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34146:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34146 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34146:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34146 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34194:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34194 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34194:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34194 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34198:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34198 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34198:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34198 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetLength(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34328:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34328 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34328:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34328 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34334:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34334 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34334:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34334 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34336:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34336 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34336:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34336 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34386:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34386 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34386:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34386 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34390:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34390 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34390:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34390 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetWedge(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34417:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34417 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34417:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34417 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34421:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34421 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34421:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34421 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34448:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34448 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34448:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34448 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34452:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34452 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34452:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34452 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetWedgeOrHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34479:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34479 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34479:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34479 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34483:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34483 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34483:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34483 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34510:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34510 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34510:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34510 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34514:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34514 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34514:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34514 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetClosure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34541:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34541 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34541:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34541 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34545:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34545 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34545:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34545 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetBeginAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34619:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34619 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34619:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34619 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34623:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34623 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34623:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34623 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetEndAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34647:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34647 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34647:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34647 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34651:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34651 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34651:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34651 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_IsRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34750:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34750 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34750:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34750 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34754:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34754 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34754:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34754 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34919:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34919 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34919:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34919 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34923:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34923 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34923:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34923 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34939:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34939 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34939:47: note: in expansion of macro ‘XSRETURN’
34939 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34953:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34953 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34953:43: note: in expansion of macro ‘XSRETURN’
34953 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34964:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34964 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34964:47: note: in expansion of macro ‘XSRETURN’
34964 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34980:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34980 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34980:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34980 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34982:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34982 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34982:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34982 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34986:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34986 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34986:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34986 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34988:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34988 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34988:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34988 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34992:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34992 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34992:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34992 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35046:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35046 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35046:43: note: in expansion of macro ‘XSRETURN’
35046 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35050:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35050 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35050:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35050 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35052:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35052:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35056:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35056 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35056:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35056 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35062:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35062 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35062:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35062 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35064:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35064 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35064:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35064 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35068:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35068 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35068:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35068 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
abel-3-1-1/scripts/perl/openbabel-perl.cpp:35070:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35070 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35070:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35070 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35121:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35121 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35121:43: note: in expansion of macro ‘XSRETURN’
35121 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35133:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35133 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35133:47: note: in expansion of macro ‘XSRETURN’
35133 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35162:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35162 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35162:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35162 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35166:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35166 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35166:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35166 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35168:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35168 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35168:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35168 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35172:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35172 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35172:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35172 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35178:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35178 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35178:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35178 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35180:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35180 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35180:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35180 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35184:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35184 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35184:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35184 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBAtomAtomIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35255:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35255 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35255:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35255 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35305:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35305:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35309:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35309 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35309:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35309 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35465:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35465 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35465:47: note: in expansion of macro ‘XSRETURN’
35465 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35478:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35478 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35478:43: note: in expansion of macro ‘XSRETURN’
35478 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35482:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35482 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35482:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35482 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35484:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35484:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35488:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35488 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35488:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35488 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35544:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35544 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35544:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35544 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35548:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35548 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35548:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35548 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35550:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35550 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35550:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35550 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35554:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35554 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35554:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35554 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35616:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35616 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35616:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35616 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35620:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35620:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35647:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35647 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35647:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35647 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35651:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35651 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35651:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35651 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35891:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35891 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35891:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35891 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35895:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35895 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35895:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35895 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36063:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36063 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36063:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36063 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36065:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36065 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36065:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36065 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36069:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36069 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36069:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36069 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36071:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36071 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36071:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36071 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36075:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36075 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36075:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36075 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36114:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36114 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36114:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36114 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36116:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36116 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36116:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36116 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36118:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36118 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36118:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36118 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36122:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36122 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36122:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36122 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36256:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36256 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36256:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36256 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36260:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36260 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36260:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36260 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36563:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36563 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36563:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36563 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36567:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36567 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36567:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36567 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36647:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36647 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36647:47: note: in expansion of macro ‘XSRETURN’
36647 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36703:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36703 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36703:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36703 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36707:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36707 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36707:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36707 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36723:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36723 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36723:47: note: in expansion of macro ‘XSRETURN’
36723 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36737:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36737 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36737:43: note: in expansion of macro ‘XSRETURN’
36737 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36748:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36748 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36748:47: note: in expansion of macro ‘XSRETURN’
36748 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36764:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36764 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36764:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36764 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36766:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36766 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36766:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36766 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36770:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36770 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36770:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36770 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36772:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36772 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36772:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36772 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36776:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36776 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36776:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36776 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36830:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36830 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36830:43: note: in expansion of macro ‘XSRETURN’
36830 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36834:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36834 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36834:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36834 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36836:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36836:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36840:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36840 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36840:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36840 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36846:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36846 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36846:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36846 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36848:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36848 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36848:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36848 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36852:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36852 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36852:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36852 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36854:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36854 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36854:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36854 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36905:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36905 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36905:43: note: in expansion of macro ‘XSRETURN’
36905 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36917:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36917 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36917:47: note: in expansion of macro ‘XSRETURN’
36917 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36946:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36946 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36946:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36946 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36950:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36950 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36950:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36950 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36952:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36952 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36952:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36952 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36956:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36956 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36956:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36956 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36962:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36962 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36962:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36962 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36964:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36964 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36964:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36964 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36968:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36968 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36968:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36968 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBAtomBondIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37039:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37039 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37039:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37039 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37089:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37089 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37089:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37089 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37093:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37093 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37093:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37093 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetLength(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37223:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37223 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37223:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37223 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37229:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37229 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37229:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37229 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37231:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37231 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37231:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37231 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37281:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37281:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37285:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37285:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetWedge(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37312:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37312:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37316:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37316:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37343:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37343 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37343:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37343 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37347:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37347:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetWedgeOrHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37374:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37374 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37374:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37374 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37378:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37378 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37378:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37378 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37405:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37405 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37405:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37405 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37409:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37409 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37409:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37409 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetClosure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37436:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37436 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37436:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37436 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37440:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37440 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37440:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37440 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetBeginAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37514:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37514 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37514:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37514 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37518:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37518 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37518:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37518 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetEndAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37542:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37542 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37542:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37542 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37546:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37546 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37546:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37546 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_IsRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37645:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37645 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37645:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37645 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37649:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37649 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37649:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37649 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37814:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37814 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37814 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37818:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37818 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37818:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37818 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37834:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37834 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37834:47: note: in expansion of macro ‘XSRETURN’
37834 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37848:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37848 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37848:43: note: in expansion of macro ‘XSRETURN’
37848 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37859:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37859 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37859:47: note: in expansion of macro ‘XSRETURN’
37859 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37875:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37875 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37875:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37875 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37877:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37877 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37877:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37877 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37881:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37881 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37881:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37881 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37883:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37883:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37887:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37887 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37887:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37887 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37941:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37941 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37941:43: note: in expansion of macro ‘XSRETURN’
37941 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37945:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37945 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37945:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37945 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37947:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37947 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37947:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37947 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37951:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37951 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37951:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37951 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37957:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37957 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37957:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37957 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37959:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37959 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37959:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37959 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37963:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37963 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37963:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37963 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37965:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37965 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37965:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37965 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38016:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38016 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38016:43: note: in expansion of macro ‘XSRETURN’
38016 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38028:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38028 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38028:47: note: in expansion of macro ‘XSRETURN’
38028 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38057:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38057 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38057:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38057 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38061:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38061 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38061:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38061 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38063:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38063 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38063:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38063 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38067:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38067 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38067:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38067 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38073:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38073 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38073:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38073 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38075:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38075 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38075:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38075 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38079:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38079 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38079:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38079 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBResidueIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38150:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38150 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38150:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38150 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38198:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38198 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38198:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38198 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38202:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38202 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38202:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38202 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_SetName(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38268:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38268 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38268:43: note: in expansion of macro ‘XSRETURN’
38268 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_SetNum(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38292:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38292 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38292:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38292 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38294:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38294 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38294:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38294 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38298:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38298 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38298:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38298 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38300:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38300 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38300:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38300 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_SetAtomID(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38360:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38360 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38360:43: note: in expansion of macro ‘XSRETURN’
38360 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetBonds(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38484:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38484:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38488:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38488 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38488:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38488 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38687:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38687 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38687:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38687 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38691:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38691 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38691:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38691 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38707:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38707 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38707:47: note: in expansion of macro ‘XSRETURN’
38707 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38721:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38721 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38721:43: note: in expansion of macro ‘XSRETURN’
38721 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38732:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38732 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38732:47: note: in expansion of macro ‘XSRETURN’
38732 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38748:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38748 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38748:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38748 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38750:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38750 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38750:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38750 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38754:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38754 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38754:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38754 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38756:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38756 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38756:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38756 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38760:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38760 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38760:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38760 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38814:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38814 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38814:43: note: in expansion of macro ‘XSRETURN’
38814 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38818:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38818 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38818:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38818 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38820:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38820 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38820:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38820 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38824:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38824 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38824:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38824 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38830:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38830 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38830:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38830 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38832:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38832 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38832:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38832 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38836:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38836 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38836:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38836 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38838:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38838 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38838:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38838 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38889:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38889 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38889:43: note: in expansion of macro ‘XSRETURN’
38889 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38901:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38901 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38901:47: note: in expansion of macro ‘XSRETURN’
38901 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38930:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38930 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38930:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38930 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38934:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38934 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38934:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38934 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38936:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38936 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38936:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38936 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38940:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38940 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38940:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38940 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38946:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38946 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38946:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38946 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38948:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38948 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38948:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38948 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38952:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38952 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38952:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38952 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBResidueAtomIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39023:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39023 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39023:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39023 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39073:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39073 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39073:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39073 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39077:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39077 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39077:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39077 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39233:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39233 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39233:47: note: in expansion of macro ‘XSRETURN’
39233 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39246:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39246 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39246:43: note: in expansion of macro ‘XSRETURN’
39246 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39250:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39250 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39250:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39250 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39252:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39252:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39256:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39256:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39312:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39312:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39316:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39316:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39318:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39318 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39318:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39318 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39322:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39322 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39322:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39322 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39384:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39384 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39384:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39384 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39388:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39388 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39388:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39388 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39415:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39415 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39415:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39415 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39419:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39419 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39419:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39419 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39659:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39659 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39659:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39659 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39663:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39663 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39663:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39663 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39831:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39831 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39831:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39831 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39833:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39833 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39833:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39833 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39837:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39837 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39837:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39837 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39839:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39839 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39839:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39839 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39843:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39843 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39843:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39843 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39883:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39883 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39883:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39883 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39885:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39885 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39885:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39885 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39887:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39887 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39887:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39887 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39891:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39891 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39891:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39891 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40027:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40027 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40027:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40027 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40031:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40031 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40031:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40031 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40335:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40335 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40335:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40335 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40339:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40339 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40339:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40339 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40419:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40419 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40419:47: note: in expansion of macro ‘XSRETURN’
40419 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40475:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40475 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40475:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40475 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40479:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40479 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40479:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40479 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40495:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40495 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40495:47: note: in expansion of macro ‘XSRETURN’
40495 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40509:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40509 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40509:43: note: in expansion of macro ‘XSRETURN’
40509 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40521:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40521 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40521:47: note: in expansion of macro ‘XSRETURN’
40521 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40537:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40537 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40537:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40537 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40539:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40539 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40539:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40539 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40543:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40543 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40543:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40543 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40545:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40545 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40545:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40545 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40549:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40549 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40549:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40549 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40603:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40603 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40603:43: note: in expansion of macro ‘XSRETURN’
40603 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40607:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40607 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40607:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40607 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40609:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40609 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40609:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40609 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40613:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40613 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40613:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40613 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40619:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40619 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40619:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40619 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40621:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40621 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40621:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40621 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40625:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40625 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40625:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40625 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40627:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40627 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40627:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40627 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40678:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40678 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40678:43: note: in expansion of macro ‘XSRETURN’
40678 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40690:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40690 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40690:47: note: in expansion of macro ‘XSRETURN’
40690 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40719:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40719 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40719:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40719 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40723:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40723 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40723:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40723 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40725:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40725 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40725:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40725 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40729:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40729 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40729:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40729 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40735:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40735 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40735:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40735 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40737:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40737 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40737:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40737 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40741:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40741 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40741:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40741 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolAngleIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40814:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40814 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40814 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolTorsionIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40890:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40890 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40890:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40890 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolPairIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40966:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40966 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40966:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40966 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolRingIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41040:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41040 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41040:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41040 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolRingIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41088:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41088 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41088:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41088 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41092:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41092 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41092:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41092 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolRingIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41210:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41210 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41210:47: note: in expansion of macro ‘XSRETURN’
41210 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolRingIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41227:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41227 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41227:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41227 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41229:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41229 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41229:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41229 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41233:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41233 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41233:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41233 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolRingIter_IsMember(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41282:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41282 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41282:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41282 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41284:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41284 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41284:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41284 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41288:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41288 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41288:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41288 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41290:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41290 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41290:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41290 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void* _p_OpenBabel__CharPtrLessTo_p_std__binary_functionT_char_const_p_char_const_p_bool_t(void*, int*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41476:27: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
41476 |     return (void *)((std::binary_function< char const *,char const *,bool > *)  ((OpenBabel::CharPtrLess *) x));
      |                           ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 90%] Building CXX object scripts/CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/scripts && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbindings_ruby_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/python3.13 -I/usr/lib64/perl5/CORE -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT scripts/CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o -MF CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o.d -o CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/generic.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2207:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2208:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:76:12: note:   by ‘OpenBabel::OBGridData::GetValue’
   76 |     double GetValue (vector3 pos) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2215:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2220:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/stdexcept:41,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2190:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_ConstIterator_next(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:8665:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 8665 | SWIGINTERN VALUE _wrap_ConstIterator_next(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_ConstIterator_previous(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:8692:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 8692 | SWIGINTERN VALUE _wrap_ConstIterator_previous(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Iterator_next(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:8830:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 8830 | SWIGINTERN VALUE _wrap_Iterator_next(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Iterator_previous(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:8854:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 8854 | SWIGINTERN VALUE _wrap_Iterator_previous(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorInt___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9179:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9179 |     if (!_v) goto check_1; return _wrap_VectorInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9179:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9179 |     if (!_v) goto check_1; return _wrap_VectorInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorInt___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9233:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9233 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9233:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9233 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorInt___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9234:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 9234 | SWIGINTERN VALUE _wrap_VectorInt___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorInt(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9375:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9375 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9375:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9375 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorUnsignedInt___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9652:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9652 |     if (!_v) goto check_1; return _wrap_VectorUnsignedInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9652:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9652 |     if (!_v) goto check_1; return _wrap_VectorUnsignedInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorUnsignedInt___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9707:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9707 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9707:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9707 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorUnsignedInt___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9708:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 9708 | SWIGINTERN VALUE _wrap_VectorUnsignedInt___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVInt___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10150:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10150 |     if (!_v) goto check_1; return _wrap_VectorVInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10150:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10150 |     if (!_v) goto check_1; return _wrap_VectorVInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVInt___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10212:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10212 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10212:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10212 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVInt___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10213:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
10213 | SWIGINTERN VALUE _wrap_VectorVInt___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorVInt(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10374:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10374 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10374:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10374 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorDouble___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10623:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10623 |     if (!_v) goto check_1; return _wrap_VectorDouble___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10623:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10623 |     if (!_v) goto check_1; return _wrap_VectorDouble___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorDouble___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10678:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10678 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10678:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10678 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorDouble___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10679:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
10679 | SWIGINTERN VALUE _wrap_VectorDouble___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorDouble(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10824:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10824 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10824:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10824 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___delete_2__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10993:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10993 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10993:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10993 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11104:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11104 |     if (!_v) goto check_1; return _wrap_VectorString___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11104:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11104 |     if (!_v) goto check_1; return _wrap_VectorString___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11162:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11162 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11162:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11162 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11163:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
11163 | SWIGINTERN VALUE _wrap_VectorString___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorString(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11314:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11314 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11314:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11314 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___delete__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11354:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11354 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11354:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11354 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVector3___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11602:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11602 |     if (!_v) goto check_1; return _wrap_VectorVector3___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11602:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11602 |     if (!_v) goto check_1; return _wrap_VectorVector3___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVector3___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11662:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11662 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11662:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11662 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVector3___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11663:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
11663 | SWIGINTERN VALUE _wrap_VectorVector3___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorVector3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11818:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11818 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11818:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11818 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBMol___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12076:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12076 |     if (!_v) goto check_1; return _wrap_VectorOBMol___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12076:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12076 |     if (!_v) goto check_1; return _wrap_VectorOBMol___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBMol___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12136:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12136 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12136:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12136 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBMol___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12137:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
12137 | SWIGINTERN VALUE _wrap_VectorOBMol___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorOBMol(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12291:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12291 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12291:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12291 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBBond___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12548:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12548 |     if (!_v) goto check_1; return _wrap_VectorOBBond___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12548:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12548 |     if (!_v) goto check_1; return _wrap_VectorOBBond___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBBond___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12608:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12608 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12608:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12608 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBBond___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12609:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
12609 | SWIGINTERN VALUE _wrap_VectorOBBond___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorOBBond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12764:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12764 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12764:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12764 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBResidue___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13021:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13021 |     if (!_v) goto check_1; return _wrap_VectorOBResidue___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13021:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13021 |     if (!_v) goto check_1; return _wrap_VectorOBResidue___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBResidue___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13081:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13081 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13081:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13081 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBResidue___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13082:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
13082 | SWIGINTERN VALUE _wrap_VectorOBResidue___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorOBResidue(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13237:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13237 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13237:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13237 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBRing___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13495:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13495 |     if (!_v) goto check_1; return _wrap_VectorOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13495:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13495 |     if (!_v) goto check_1; return _wrap_VectorOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBRing___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13555:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13555 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13555:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13555 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBRing___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13556:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
13556 | SWIGINTERN VALUE _wrap_VectorOBRing___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorOBRing(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13711:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13711 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13711:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13711 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBRing___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13967:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13967 |     if (!_v) goto check_1; return _wrap_VectorpOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13967:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13967 |     if (!_v) goto check_1; return _wrap_VectorpOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBRing___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14026:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14026 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14026:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14026 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBRing___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14027:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
14027 | SWIGINTERN VALUE _wrap_VectorpOBRing___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorpOBRing(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14181:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14181 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14181:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14181 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBGenericData___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14444:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14444 |     if (!_v) goto check_1; return _wrap_VectorpOBGenericData___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14444:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14444 |     if (!_v) goto check_1; return _wrap_VectorpOBGenericData___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBGenericData___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14505:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14505 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14505:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14505 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBGenericData___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14506:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
14506 | SWIGINTERN VALUE _wrap_VectorpOBGenericData___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTypeTable_set_from_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15146:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15146 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15146:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15146 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTypeTable_set_to_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15158:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15158 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15158:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15158 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTypeTable_translate__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15173:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15173 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15173:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15173 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15174:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15174 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15174:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15174 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTypeTable_translate__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15193:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15193 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15193:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15193 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_set_res_name(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15271:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15271 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15271:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15271 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_lookup_bo__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15285:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15285 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15285:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15285 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_lookup_bo__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15303:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15303 |   if (SWIG_IsNewObj(res3)) delete arg3; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15303:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15303 |   if (SWIG_IsNewObj(res3)) delete arg3; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15304:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15304 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15304:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15304 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_lookup_bo(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15305:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15305 | SWIGINTERN VALUE _wrap_OBResidueData_lookup_bo(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_lookup_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15333:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15333 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15333:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15333 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBSqrtTbl(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15431:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15431 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15431:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15431 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15430:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15430 | SWIGINTERN VALUE _wrap_new_OBSqrtTbl(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_Vector3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15552:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15552 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15552:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15552 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15557:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15557 |      if (!_v) goto check_3; return _wrap_new_Vector3__SWIG_5(nargs, args, self);}  check_3: if (argc == 1) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15557:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15557 |      if (!_v) goto check_3; return _wrap_new_Vector3__SWIG_5(nargs, args, self);}  check_3: if (argc == 1) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_begin(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15622:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15622 | SWIGINTERN VALUE _wrap_Vector3_begin(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_end(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15646:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15646 | SWIGINTERN VALUE _wrap_Vector3_end(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15674:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15674 | SWIGINTERN VALUE _wrap_Vector3_set(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; argc = nargs + 1;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_add(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15782:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15782 |      if (!_v) goto check_1; return _wrap_Vector3_add__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15782:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15782 |      if (!_v) goto check_1; return _wrap_Vector3_add__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_x(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15862:88: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15862 | SWIGINTERN VALUE _wrap_Vector3_x(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_y(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15875:88: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15875 | SWIGINTERN VALUE _wrap_Vector3_y(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_z(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15888:88: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15888 | SWIGINTERN VALUE _wrap_Vector3_z(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_Matrix3x3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16343:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16343 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16343:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16343 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Matrix3x3___call__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16392:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
16392 | SWIGINTERN VALUE _wrap_Matrix3x3___call__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap___mul__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16630:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16630 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16630:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16630 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) { int _v = 0; {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16638:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16638 |      if (!_v) goto check_2; return _wrap___mul____SWIG_2(nargs, args, self);}  check_2: if (argc == 2) { int _v = 0; {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16638:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16638 |      if (!_v) goto check_2; return _wrap___mul____SWIG_2(nargs, args, self);}  check_2: if (argc == 2) { int _v = 0; {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBBitVec(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16726:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16726 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16726:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16726 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBitVec_first_bit(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16805:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
16805 | SWIGINTERN VALUE _wrap_OBBitVec_first_bit(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBitVec_from_vec_int(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16897:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16897 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16897:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16897 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap___sub__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17079:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17079 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17079:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17079 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17082:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17082 |      if (!_v) goto check_2; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17082:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17082 |      if (!_v) goto check_2; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17084:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17084 |      if (!_v) goto check_2; return _wrap___sub____SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17084:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17084 |      if (!_v) goto check_2; return _wrap___sub____SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBGenericData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17262:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17262 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17262:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17262 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17261:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
17261 | SWIGINTERN VALUE _wrap_new_OBGenericData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGenericData_set_attribute(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17302:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17302 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17302:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17302 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17405:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
17405 | SWIGINTERN VALUE _wrap_OBBase_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17433:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17433 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17433:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17433 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17445:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17445 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17445:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17445 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17512:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17512 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17512:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17512 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17517:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17517 |     if (!_v) goto check_1; return _wrap_OBBase_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17517:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17517 |     if (!_v) goto check_1; return _wrap_OBBase_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) { int _v = 0; {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17522:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17522 |     if (!_v) goto check_3; return _wrap_OBBase_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17522:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17522 |     if (!_v) goto check_3; return _wrap_OBBase_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17570:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17570 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17570:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17570 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17582:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17582 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17582:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17582 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBCommentData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17692:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17692 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17692:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17692 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17691:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
17691 | SWIGINTERN VALUE _wrap_new_OBCommentData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBCommentData_set_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17709:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17709 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17709:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17709 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBCommentData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17724:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17724 |     if (!_v) goto check_1; return _wrap_OBCommentData_set_data__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17724:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17724 |     if (!_v) goto check_1; return _wrap_OBCommentData_set_data__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBExternalBond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17785:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17785 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17785:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17785 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17784:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
17784 | SWIGINTERN VALUE _wrap_new_OBExternalBond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPairData_set_value__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17944:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17944 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17944:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17944 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPairData_set_value(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17948:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17948 |     if (!_v) goto check_1; return _wrap_OBPairData_set_value__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17948:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17948 |     if (!_v) goto check_1; return _wrap_OBPairData_set_value__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSetData_get_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18009:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18009 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18009:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18009 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSetData_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18023:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18023 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18023:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18023 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBVirtualBond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18122:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18122 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18122:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18122 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18121:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18121 | SWIGINTERN VALUE _wrap_new_OBVirtualBond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBRingData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18194:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18194 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18194:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18194 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18193:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18193 | SWIGINTERN VALUE _wrap_new_OBRingData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBUnitCell(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18315:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18315 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18315:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18315 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18314:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18314 | SWIGINTERN VALUE _wrap_new_OBUnitCell(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18383:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18383 | SWIGINTERN VALUE _wrap_OBUnitCell_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_set_space_group(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18439:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18439 |     if (!_v) goto check_2; return _wrap_OBUnitCell_set_space_group__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18439:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18439 |     if (!_v) goto check_2; return _wrap_OBUnitCell_set_space_group__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_a(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18481:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18481 | SWIGINTERN VALUE _wrap_OBUnitCell_get_a(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_b(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18502:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18502 | SWIGINTERN VALUE _wrap_OBUnitCell_get_b(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_c(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18523:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18523 | SWIGINTERN VALUE _wrap_OBUnitCell_get_c(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_alpha(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18545:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18545 | SWIGINTERN VALUE _wrap_OBUnitCell_get_alpha(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_beta(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18567:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18567 | SWIGINTERN VALUE _wrap_OBUnitCell_get_beta(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_gamma(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18590:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18590 | SWIGINTERN VALUE _wrap_OBUnitCell_get_gamma(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_offset(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18614:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18614 | SWIGINTERN VALUE _wrap_OBUnitCell_get_offset(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_space_group(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18639:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18639 | SWIGINTERN VALUE _wrap_OBUnitCell_get_space_group(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_space_group_name(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18663:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18663 | SWIGINTERN VALUE _wrap_OBUnitCell_get_space_group_name(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_lattice_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18709:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18709 | SWIGINTERN VALUE _wrap_OBUnitCell_get_lattice_type(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_cell_vectors(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18738:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18738 | SWIGINTERN VALUE _wrap_OBUnitCell_get_cell_vectors(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_cell_matrix(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18763:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18763 | SWIGINTERN VALUE _wrap_OBUnitCell_get_cell_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_ortho_matrix(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18787:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18787 | SWIGINTERN VALUE _wrap_OBUnitCell_get_ortho_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_orientation_matrix(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18813:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18813 | SWIGINTERN VALUE _wrap_OBUnitCell_get_orientation_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_fractional_matrix(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18839:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18839 | SWIGINTERN VALUE _wrap_OBUnitCell_get_fractional_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_fractional_to_cartesian(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18876:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18876 | SWIGINTERN VALUE _wrap_OBUnitCell_fractional_to_cartesian(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_cartesian_to_fractional(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18913:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18913 | SWIGINTERN VALUE _wrap_OBUnitCell_cartesian_to_fractional(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_wrap_cartesian_coordinate(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18950:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18950 | SWIGINTERN VALUE _wrap_OBUnitCell_wrap_cartesian_coordinate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_wrap_fractional_coordinate(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18987:116: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18987 | SWIGINTERN VALUE _wrap_OBUnitCell_wrap_fractional_coordinate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_unwrap_cartesian_near(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19036:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19036 | SWIGINTERN VALUE _wrap_OBUnitCell_unwrap_cartesian_near(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_unwrap_fractional_near(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19086:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19086 | SWIGINTERN VALUE _wrap_OBUnitCell_unwrap_fractional_near(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_minimum_image_cartesian(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19124:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19124 | SWIGINTERN VALUE _wrap_OBUnitCell_minimum_image_cartesian(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_minimum_image_fractional(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19161:114: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19161 | SWIGINTERN VALUE _wrap_OBUnitCell_minimum_image_fractional(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_space_group_number(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19206:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19206 | SWIGINTERN VALUE _wrap_OBUnitCell_get_space_group_number(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_cell_volume(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19233:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19233 | SWIGINTERN VALUE _wrap_OBUnitCell_get_cell_volume(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBConformerData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19267:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19267 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19267:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19267 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19266:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19266 | SWIGINTERN VALUE _wrap_new_OBConformerData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBSymmetryData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19449:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19449 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19449:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19449 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19448:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19448 | SWIGINTERN VALUE _wrap_new_OBSymmetryData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSymmetryData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19482:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19482 | SWIGINTERN VALUE _wrap_OBSymmetryData_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBTorsion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19549:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19549 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19549:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19549 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19548:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19548 | SWIGINTERN VALUE _wrap_new_OBTorsion(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTorsion_add_torsion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19611:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19611 | SWIGINTERN VALUE _wrap_OBTorsion_add_torsion(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTorsion_set_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19643:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19643 | SWIGINTERN VALUE _wrap_OBTorsion_set_angle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTorsion_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19687:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19687 | SWIGINTERN VALUE _wrap_OBTorsion_get_angle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBAngle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19820:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19820 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19820:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19820 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19819:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19819 | SWIGINTERN VALUE _wrap_new_OBAngle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAngle_set_atoms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19904:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19904 | SWIGINTERN VALUE _wrap_OBAngle_set_atoms(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAngleData_fill_angle_array(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19954:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19954 | SWIGINTERN VALUE _wrap_OBAngleData_fill_angle_array(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBSerialNums(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20015:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20015 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20015:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20015 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20014:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20014 | SWIGINTERN VALUE _wrap_new_OBSerialNums(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBVibrationData_set_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20103:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20103 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20103:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20103 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20104:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20104 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20104:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20104 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBVibrationData_set_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20139:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20139 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20139:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20139 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBVibrationData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20142:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20142 | SWIGINTERN VALUE _wrap_OBVibrationData_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDOSData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20250:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20250 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20250:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20250 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOrbital_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20328:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20328 | SWIGINTERN VALUE _wrap_OBOrbital_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOrbitalData_set_homo(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20455:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20455 | SWIGINTERN VALUE _wrap_OBOrbitalData_set_homo(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBElectronicTransitionData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20616:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20616 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20616:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20616 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20617:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20617 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20617:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20617 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBElectronicTransitionData_set_edipole(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20631:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20631 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20631:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20631 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBElectronicTransitionData_set_rotatory_strengths_velocity(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20645:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20645 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20645:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20645 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBElectronicTransitionData_set_rotatory_strengths_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20659:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20659 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20659:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20659 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBVectorData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20827:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20827 | SWIGINTERN VALUE _wrap_OBVectorData_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBFreeGridPoint(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20920:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20920 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20920:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20920 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20919:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20919 | SWIGINTERN VALUE _wrap_new_OBFreeGridPoint(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_get_axes(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21254:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21254 |     if (!_v) goto check_1; return _wrap_OBGridData_get_axes__SWIG_0(nargs, args, self);}  check_1: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21254:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21254 |     if (!_v) goto check_1; return _wrap_OBGridData_get_axes__SWIG_0(nargs, args, self);}  check_1: if (argc == 4) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_get_number_of_points(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21290:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21290 | SWIGINTERN VALUE _wrap_OBGridData_get_number_of_points(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_get_value(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21345:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21345 | SWIGINTERN VALUE _wrap_OBGridData_get_value(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_get_origin_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21398:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21398 | SWIGINTERN VALUE _wrap_OBGridData_get_origin_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_set_limits(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21501:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21501 |      if (!_v) goto check_1; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21501:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21501 |      if (!_v) goto check_1; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21503:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21503 |      if (!_v) goto check_1; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21503:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21503 |      if (!_v) goto check_1; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21505:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21505 |      if (!_v) goto check_1; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21505:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21505 |      if (!_v) goto check_1; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21507:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21507 |      if (!_v) goto check_1; return _wrap_OBGridData_set_limits__SWIG_0(nargs, args, self);}  check_1: if (argc == 5) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21507:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21507 |      if (!_v) goto check_1; return _wrap_OBGridData_set_limits__SWIG_0(nargs, args, self);}  check_1: if (argc == 5) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_set_values(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21543:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21543 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21543:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21543 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_Dummy(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21584:8: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21584 |   std::binary_function< char const *,char const *,bool > *result = 0 ; if ((argc < 0) || (argc > 0)) {
      |        ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21586:18: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21586 |   result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                  ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21586:79: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21586 |   result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                                                                               ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘void free_std_binary_function_Sl_char_SS_const_Sm__Sc_char_SS_const_Sm__Sc_bool_Sg_(void*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21590:10: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21590 |     std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *)self;
      |          ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21590:74: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21590 |     std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *)self;
      |                                                                          ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_CharPtrLess___call__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21611:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21611 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21611:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21611 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21612:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21612 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21612:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21612 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_display__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21676:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21676 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21676:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21676 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21677:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21677 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21677:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21677 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_display__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21695:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21695 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21695:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21695 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_display(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21696:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21696 | SWIGINTERN VALUE _wrap_OBPlugin_display(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_make_instance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21717:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21717 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21717:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21717 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_get_plugin(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21735:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21735 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21735:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21735 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21736:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21736 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21736:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21736 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list_as_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21762:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21762 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21762:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21762 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21763:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21763 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21763:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21763 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21776:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21776 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21776:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21776 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21777:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21777 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21777:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21777 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21786:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21786 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21786:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21786 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21787:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21787 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21787:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21787 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21794:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21794 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21794:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21794 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21796:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21796 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21796:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21796 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21795:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21795 | SWIGINTERN VALUE _wrap_OBPlugin_list(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list_as_string__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21813:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21813 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21813:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21813 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21814:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21814 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21814:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21814 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list_as_string(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21823:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21823 | SWIGINTERN VALUE _wrap_OBPlugin_list_as_string(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_begin(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21847:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21847 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21847:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21847 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_end(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21857:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21857 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21857:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21857 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21925:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21925 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21925:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21925 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21927:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21927 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21927:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21927 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21955:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21955 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21955:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21955 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21957:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21957 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21957:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21957 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21981:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21981 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return self; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21981:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21981 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return self; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21982:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21982 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21982:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21982 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21983:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21983 |   if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21983:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21983 |   if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22003:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22003 |   if (SWIG_IsNewObj(res3)) delete arg3; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22003:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22003 |   if (SWIG_IsNewObj(res3)) delete arg3; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22004:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22004 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22004:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22004 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_4(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22019:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22019 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22019:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22019 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_5(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22028:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22028 |   if (SWIG_IsNewObj(res1)) delete arg1; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22028:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22028 |   if (SWIG_IsNewObj(res1)) delete arg1; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22044:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22044 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22044:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22044 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22043:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22043 | SWIGINTERN VALUE _wrap_new_OBError(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap___lshift__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22092:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22092 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22092:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22092 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) { int _v = 0; {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMessageHandler_throw_error__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22258:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22258 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22258:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22258 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22259:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22259 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22259:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22259 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMessageHandler_throw_error__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22279:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22279 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22279:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22279 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22280:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22280 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22280:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22280 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMessageHandler_throw_error__SWIG_4(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22297:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22297 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22297:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22297 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22298:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22298 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22298:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22298 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22511:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22511 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22511:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22511 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_register_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22641:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22641 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22641:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22641 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22642:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22642 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22642:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22642 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_register_format__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22654:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22654 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22654:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22654 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_register_format(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22655:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22655 | SWIGINTERN VALUE _wrap_OBFormat_register_format(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_display__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22681:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22681 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22681:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22681 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22682:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22682 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22682:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22682 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_display__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22700:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22700 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22700:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22700 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_display(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22701:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22701 | SWIGINTERN VALUE _wrap_OBFormat_display(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_format_from_mime(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22715:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22715 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22715:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22715 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBConversion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22786:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22786 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22786:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22786 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22795:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22795 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(nargs, args, self);}  check_5: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22795:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22795 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(nargs, args, self);}  check_5: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_register_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22821:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22821 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22821:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22821 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22822:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22822 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22822:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22822 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_register_format__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22835:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22835 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22835:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22835 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_register_format(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22836:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22836 | SWIGINTERN VALUE _wrap_OBConversion_register_format(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_find_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22851:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22851 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22851:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22851 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_format_from_ext__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22877:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22877 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22877:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22877 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_format_from_ext__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22892:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22892 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22892:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22892 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_format_from_mime(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22937:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22937 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22937:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22937 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_stream(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22982:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22982 | SWIGINTERN VALUE _wrap_OBConversion_set_in_stream(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_out_stream(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23011:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23011 | SWIGINTERN VALUE _wrap_OBConversion_set_out_stream(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_and_out_formats__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23036:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23036 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23036:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23036 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23037:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23037 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23037:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23037 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_and_out_formats__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23054:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23054 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23054:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23054 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23055:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23055 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23055:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23055 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_and_out_formats__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23070:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23070 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23070:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23070 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23071:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23071 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23071:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23071 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_and_out_formats(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23129:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23129 |     if (!_v) goto check_1; return _wrap_OBConversion_set_in_and_out_formats__SWIG_5(nargs, args, self);}  check_1:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23129:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23129 |     if (!_v) goto check_1; return _wrap_OBConversion_set_in_and_out_formats__SWIG_5(nargs, args, self);}  check_1:
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23132:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23132 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23132:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23132 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23137:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23137 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23137:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23137 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23161:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23161 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23161:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23161 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_format__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23173:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23173 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23173:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23173 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_format(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23205:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23205 |     if (!_v) goto check_3; return _wrap_OBConversion_set_in_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23205:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23205 |     if (!_v) goto check_3; return _wrap_OBConversion_set_in_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_out_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23225:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23225 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23225:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23225 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_out_format__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23237:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23237 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23237:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23237 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_out_format(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23269:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23269 |     if (!_v) goto check_3; return _wrap_OBConversion_set_out_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23269:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23269 |     if (!_v) goto check_3; return _wrap_OBConversion_set_out_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_is_option__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23392:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23392 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23392:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23392 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_is_option__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23404:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23404 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23404:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23404 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_is_option(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23405:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23405 | SWIGINTERN VALUE _wrap_OBConversion_is_option(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_add_option__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23443:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23443 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23443:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23443 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23444:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23444 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23444:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23444 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_add_option__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23458:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23458 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23458:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23458 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_add_option(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23470:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23470 | SWIGINTERN VALUE _wrap_OBConversion_add_option(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_remove_option(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23493:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23493 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23493:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23493 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_options(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23507:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23507 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23507:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23507 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_register_option_param(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23545:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23545 | SWIGINTERN VALUE _wrap_OBConversion_register_option_param(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_copy_options(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23589:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23589 | SWIGINTERN VALUE _wrap_OBConversion_copy_options(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_convert(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23637:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23637 | SWIGINTERN VALUE _wrap_OBConversion_convert(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_first_input(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23720:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23720 | SWIGINTERN VALUE _wrap_OBConversion_set_first_input(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_one_object_only(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23765:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23765 | SWIGINTERN VALUE _wrap_OBConversion_set_one_object_only(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_write(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23829:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23829 | SWIGINTERN VALUE _wrap_OBConversion_write(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_write_string(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23861:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23861 | SWIGINTERN VALUE _wrap_OBConversion_write_string(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_read(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23914:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23914 | SWIGINTERN VALUE _wrap_OBConversion_read(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_report_number_converted(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23988:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23988 | SWIGINTERN VALUE _wrap_OBConversion_report_number_converted(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBResidue(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24030:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24030 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24030:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24030 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24029:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
24029 | SWIGINTERN VALUE _wrap_new_OBResidue(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidue_set_name(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24082:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24082 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24082:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24082 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidue_set_num(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24105:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24105 |     if (!_v) goto check_1; return _wrap_OBResidue_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24105:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24105 |     if (!_v) goto check_1; return _wrap_OBResidue_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidue_set_atom_id(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24160:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24160 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24160:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24160 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidue_get_bonds(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24282:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
24282 | SWIGINTERN VALUE _wrap_OBResidue_get_bonds(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBInternalCoord(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24656:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24656 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24656:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24656 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24655:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
24655 | SWIGINTERN VALUE _wrap_new_OBInternalCoord(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_get_exact_mass(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24715:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24715 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24715:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24715 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24714:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
24714 | SWIGINTERN VALUE _wrap_get_exact_mass(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25424:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25424 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25424:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25424 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25428:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25428 |     if (!_v) goto check_1; return _wrap_OBAtom_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25428:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25428 |     if (!_v) goto check_1; return _wrap_OBAtom_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25481:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
25481 | SWIGINTERN VALUE _wrap_OBAtom_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25523:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
25523 | SWIGINTERN VALUE _wrap_OBAtom_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25543:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
25543 | SWIGINTERN VALUE _wrap_OBAtom_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25778:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
25778 | SWIGINTERN VALUE _wrap_OBAtom_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25954:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25954 |     if (!_v) goto check_2; return _wrap_OBAtom_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25954:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25954 |     if (!_v) goto check_2; return _wrap_OBAtom_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25991:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25991 |     if (!_v) goto check_1; return _wrap_OBAtom_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25991:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25991 |     if (!_v) goto check_1; return _wrap_OBAtom_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26114:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26114 | SWIGINTERN VALUE _wrap_OBAtom_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26389:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26389 | SWIGINTERN VALUE _wrap_OBAtom_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26463:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26463 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26463:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26463 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26574:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26574 | SWIGINTERN VALUE _wrap_OBBond_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26615:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26615 | SWIGINTERN VALUE _wrap_OBBond_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_wedge(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26635:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26635 | SWIGINTERN VALUE _wrap_OBBond_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26654:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26654 | SWIGINTERN VALUE _wrap_OBBond_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_wedge_or_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26673:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26673 | SWIGINTERN VALUE _wrap_OBBond_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26693:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26693 | SWIGINTERN VALUE _wrap_OBBond_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_closure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26713:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26713 | SWIGINTERN VALUE _wrap_OBBond_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_get_begin_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26786:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26786 | SWIGINTERN VALUE _wrap_OBBond_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_get_end_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26811:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26811 | SWIGINTERN VALUE _wrap_OBBond_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_is_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26904:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26904 | SWIGINTERN VALUE _wrap_OBBond_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMol(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27027:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27027 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27027:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27027 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27026:88: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27026 | SWIGINTERN VALUE _wrap_new_OBMol(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_add_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27116:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27116 | SWIGINTERN VALUE _wrap_OBMol_add_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_add_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27198:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27198 | SWIGINTERN VALUE _wrap_OBMol_add_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[7]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_new_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27242:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27242 | SWIGINTERN VALUE _wrap_OBMol_new_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_new_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27268:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27268 | SWIGINTERN VALUE _wrap_OBMol_new_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_delete_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27306:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27306 | SWIGINTERN VALUE _wrap_OBMol_delete_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_delete_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27338:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27338 | SWIGINTERN VALUE _wrap_OBMol_delete_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_delete_residue(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27370:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27370 | SWIGINTERN VALUE _wrap_OBMol_delete_residue(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_end_modify(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27397:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27397 | SWIGINTERN VALUE _wrap_OBMol_end_modify(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27445:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27445 | SWIGINTERN VALUE _wrap_OBMol_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_num_rotors(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27495:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27495 | SWIGINTERN VALUE _wrap_OBMol_num_rotors(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27589:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27589 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27589:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27589 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_torsion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27661:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27661 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[3], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27661:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27661 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[3], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27664:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27664 |     if (!_v) goto check_1; return _wrap_OBMol_get_torsion__SWIG_1(nargs, args, self);}  check_1: if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27664:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27664 |     if (!_v) goto check_1; return _wrap_OBMol_get_torsion__SWIG_1(nargs, args, self);}  check_1: if (argc == 5) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_spaced_formula(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27755:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27755 | SWIGINTERN VALUE _wrap_OBMol_get_spaced_formula(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_mol_wt(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27789:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27789 | SWIGINTERN VALUE _wrap_OBMol_get_mol_wt(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_exact_mass(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27811:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27811 | SWIGINTERN VALUE _wrap_OBMol_get_exact_mass(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_aromatic_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28000:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28000 | SWIGINTERN VALUE _wrap_OBMol_set_aromatic_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_sssrperceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28020:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28020 | SWIGINTERN VALUE _wrap_OBMol_set_sssrperceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_lssrperceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28040:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28040 | SWIGINTERN VALUE _wrap_OBMol_set_lssrperceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_ring_atoms_and_bonds_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28061:119: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28061 | SWIGINTERN VALUE _wrap_OBMol_set_ring_atoms_and_bonds_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_atom_types_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28082:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28082 | SWIGINTERN VALUE _wrap_OBMol_set_atom_types_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_ring_types_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28102:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28102 | SWIGINTERN VALUE _wrap_OBMol_set_ring_types_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_chains_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28122:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28122 | SWIGINTERN VALUE _wrap_OBMol_set_chains_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_chirality_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28142:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28142 | SWIGINTERN VALUE _wrap_OBMol_set_chirality_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_partial_charges_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28162:114: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28162 | SWIGINTERN VALUE _wrap_OBMol_set_partial_charges_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_hybridization_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28183:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28183 | SWIGINTERN VALUE _wrap_OBMol_set_hybridization_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_closure_bonds_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28203:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28203 | SWIGINTERN VALUE _wrap_OBMol_set_closure_bonds_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_hydrogens_added(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28223:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28223 | SWIGINTERN VALUE _wrap_OBMol_set_hydrogens_added(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_corrected_for_ph(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28243:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28243 | SWIGINTERN VALUE _wrap_OBMol_set_corrected_for_ph(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_spin_multiplicity_assigned(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28263:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28263 | SWIGINTERN VALUE _wrap_OBMol_set_spin_multiplicity_assigned(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_is_pattern_structure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28284:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28284 | SWIGINTERN VALUE _wrap_OBMol_set_is_pattern_structure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_is_reaction(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28304:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28304 | SWIGINTERN VALUE _wrap_OBMol_set_is_reaction(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_periodic_mol(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28324:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28324 | SWIGINTERN VALUE _wrap_OBMol_set_periodic_mol(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_to_inertial_frame(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28429:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28429 | SWIGINTERN VALUE _wrap_OBMol_to_inertial_frame(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_translate(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28462:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28462 | SWIGINTERN VALUE _wrap_OBMol_translate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_delete_hydrogens(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28532:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28532 | SWIGINTERN VALUE _wrap_OBMol_delete_hydrogens(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_add_hydrogens(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28621:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28621 |     if (!_v) goto check_2; return _wrap_OBMol_add_hydrogens__SWIG_4(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28621:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28621 |     if (!_v) goto check_2; return _wrap_OBMol_add_hydrogens__SWIG_4(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_add_new_hydrogens(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28680:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28680 | SWIGINTERN VALUE _wrap_OBMol_add_new_hydrogens(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_strip_salts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28707:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28707 | SWIGINTERN VALUE _wrap_OBMol_strip_salts(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_separate(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28733:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28733 | SWIGINTERN VALUE _wrap_OBMol_separate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_copy_substructure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28885:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28885 | SWIGINTERN VALUE _wrap_OBMol_copy_substructure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_correct_for_ph(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28936:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28936 | SWIGINTERN VALUE _wrap_OBMol_correct_for_ph(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_assign_spin_multiplicity(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28959:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28959 | SWIGINTERN VALUE _wrap_OBMol_assign_spin_multiplicity(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_center(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28986:91: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28986 | SWIGINTERN VALUE _wrap_OBMol_center(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_find_children(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29074:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29074 |      if (!_v) goto check_1; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_1;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29074:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29074 |      if (!_v) goto check_1; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_1;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_has_2d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29213:91: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
29213 | SWIGINTERN VALUE _wrap_OBMol_has_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_energy(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29451:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
29451 | SWIGINTERN VALUE _wrap_OBMol_get_energy(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_throw_error(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29701:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29701 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29701:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29701 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) { int _v = 0; {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRing__path_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29839:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29839 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29839:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29839 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBRing(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29923:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29923 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29923:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29923 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRing_set_type__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29964:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29964 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29964:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29964 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBSmartsPattern(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30281:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30281 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30281:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30281 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30280:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
30280 | SWIGINTERN VALUE _wrap_new_OBSmartsPattern(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSmartsPattern_init__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30297:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30297 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30297:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30297 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSmartsPattern_init__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30311:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30311 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30311:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30311 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSmartsPattern_init(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30315:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30315 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_init__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30315:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30315 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_init__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSmartsMatcher_match(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30764:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
30764 | SWIGINTERN VALUE _wrap_OBSmartsMatcher_match(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSSMatch_match(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30837:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
30837 | SWIGINTERN VALUE _wrap_OBSSMatch_match(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_AliasData_set_alias__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30891:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30891 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30891:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30891 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_AliasData_set_alias(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30906:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30906 |     if (!_v) goto check_1; return _wrap_AliasData_set_alias__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30906:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30906 |     if (!_v) goto check_1; return _wrap_AliasData_set_alias__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_AliasData_get_alias(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30928:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
30928 | SWIGINTERN VALUE _wrap_AliasData_get_alias(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31005:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31005 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31005:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31005 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_get_bit(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31046:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31046 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31046:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31046 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_get_fingerprint(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31102:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31102 | SWIGINTERN VALUE _wrap_OBFingerprint_get_fingerprint(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_tanimoto__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31147:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31147 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31147:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31147 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31148:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31148 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31148:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31148 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_tanimoto__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31163:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31163 |   if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31163:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31163 |   if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_tanimoto(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31167:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31167 |     if (!_v) goto check_1; return _wrap_OBFingerprint_tanimoto__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31167:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31167 |     if (!_v) goto check_1; return _wrap_OBFingerprint_tanimoto__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_find_fingerprint(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31186:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31186 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31186:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31186 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_FptIndexHeader_fpid_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31253:3: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation]
31253 |   else memset(arg1->fpid,0,15*sizeof(char)); return Qnil; fail: return Qnil; }
      |   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31253:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’
31253 |   else memset(arg1->fpid,0,15*sizeof(char)); return Qnil; fail: return Qnil; }
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_FptIndexHeader_datafilename_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31290:3: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation]
31290 |   else memset(arg1->datafilename,0,256*sizeof(char)); return Qnil; fail: return Qnil; }
      |   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31290:55: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’
31290 |   else memset(arg1->datafilename,0,256*sizeof(char)); return Qnil; fail: return Qnil; }
      |                                                       ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_FastSearchIndexer(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31629:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31629 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31629:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31629 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBDescriptor__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31680:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31680 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31680:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31680 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBDescriptor__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31699:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31699 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31699:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31699 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBDescriptor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31701:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31701 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31701:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31701 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31700:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31700 | SWIGINTERN VALUE _wrap_new_OBDescriptor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31713:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31713 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31713:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31713 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_predict(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31740:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31740 | SWIGINTERN VALUE _wrap_OBDescriptor_predict(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_predict_and_save(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31773:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31773 | SWIGINTERN VALUE _wrap_OBDescriptor_predict_and_save(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_get_string_value(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31817:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31817 | SWIGINTERN VALUE _wrap_OBDescriptor_get_string_value(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_compare(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31866:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31866 | SWIGINTERN VALUE _wrap_OBDescriptor_compare(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_display__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31892:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31892 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31892:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31892 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31893:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31893 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31893:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31893 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_display__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31911:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31911 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31911:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31911 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_display(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31912:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31912 | SWIGINTERN VALUE _wrap_OBDescriptor_display(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_order(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31949:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31949 |     if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[2], NULL); _v = SWIG_CheckState(res); } }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31949:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31949 |     if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[2], NULL); _v = SWIG_CheckState(res); } }
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31950:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31950 |     if (!_v) goto check_1; return _wrap_OBDescriptor_order__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31950:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31950 |     if (!_v) goto check_1; return _wrap_OBDescriptor_order__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_add_properties(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31981:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31981 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31981:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31981 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_delete_properties(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31994:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31994 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31994:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31994 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__a_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32130:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32130 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32130:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32130 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__b_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32151:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32151 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32151:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32151 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__c_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32172:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32172 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32172:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32172 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__d_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32193:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32193 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32193:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32193 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__ipar_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32215:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32215 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32215:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32215 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__dpar_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32238:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32238 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32238:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32238 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33366:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33366 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33366:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33366 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_find_force_field__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33391:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33391 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33391:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33391 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_find_force_field__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33400:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33400 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33400:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33400 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_setup(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33470:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33470 | SWIGINTERN VALUE _wrap_OBForceField_setup(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_get_grid(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33659:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33659 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33659:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33659 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_get_gradient(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33864:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33864 | SWIGINTERN VALUE _wrap_OBForceField_get_gradient(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_energy(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33898:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33898 | SWIGINTERN VALUE _wrap_OBForceField_energy(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33923:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33923 | SWIGINTERN VALUE _wrap_OBForceField_e_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33948:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33948 | SWIGINTERN VALUE _wrap_OBForceField_e_angle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_str_bnd(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33973:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33973 | SWIGINTERN VALUE _wrap_OBForceField_e_str_bnd(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_torsion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33998:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33998 | SWIGINTERN VALUE _wrap_OBForceField_e_torsion(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_oop(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34023:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34023 | SWIGINTERN VALUE _wrap_OBForceField_e_oop(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_vdw(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34048:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34048 | SWIGINTERN VALUE _wrap_OBForceField_e_vdw(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_electrostatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34073:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34073 | SWIGINTERN VALUE _wrap_OBForceField_e_electrostatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_obfflog(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34156:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34156 |     if (!_v) goto check_1; return _wrap_OBForceField_obfflog__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34156:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34156 |     if (!_v) goto check_1; return _wrap_OBForceField_obfflog__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_systematic_rotor_search(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34195:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34195 | SWIGINTERN VALUE _wrap_OBForceField_systematic_rotor_search(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_systematic_rotor_search_initialize(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34237:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34237 |   VALUE argv[4]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 4) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_systematic_rotor_search_next_conformer(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34266:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34266 |   VALUE argv[3]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 3) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_random_rotor_search(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34309:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34309 | SWIGINTERN VALUE _wrap_OBForceField_random_rotor_search(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_random_rotor_search_initialize(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34355:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34355 |   VALUE argv[5]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 5) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_random_rotor_search_next_conformer(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34384:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34384 |   VALUE argv[3]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 3) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_weighted_rotor_search(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34417:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34417 | SWIGINTERN VALUE _wrap_OBForceField_weighted_rotor_search(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_line_search(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34479:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34479 |      if (!_v) goto check_1; return _wrap_OBForceField_line_search__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34479:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34479 |      if (!_v) goto check_1; return _wrap_OBForceField_line_search__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_steepest_descent(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34545:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34545 | SWIGINTERN VALUE _wrap_OBForceField_steepest_descent(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_steepest_descent_initialize(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34596:119: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34596 | SWIGINTERN VALUE _wrap_OBForceField_steepest_descent_initialize(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_conjugate_gradients(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34653:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34653 | SWIGINTERN VALUE _wrap_OBForceField_conjugate_gradients(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_conjugate_gradients_initialize(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34705:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34705 |   VALUE argv[5]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 5) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_molecular_dynamics_take_nsteps(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34783:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34783 |   VALUE argv[6]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 6) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_ignore_calculation(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34880:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34880 | SWIGINTERN VALUE _wrap_OBForceField_ignore_calculation(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_vector_angle_derivative(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35069:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35069 | SWIGINTERN VALUE _wrap_OBForceField_vector_angle_derivative(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_vector_oopderivative(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35137:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35137 | SWIGINTERN VALUE _wrap_OBForceField_vector_oopderivative(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_vector_torsion_derivative(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35205:117: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35205 | SWIGINTERN VALUE _wrap_OBForceField_vector_torsion_derivative(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_build(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35437:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35437 | SWIGINTERN VALUE _wrap_OBBuilder_build(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_add_ring_fragment(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35474:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35474 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35474:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35474 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_get_new_bond_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35513:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35513 | SWIGINTERN VALUE _wrap_OBBuilder_get_new_bond_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_connect(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35591:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35591 |   if (argc > 5) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35591:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35591 |   if (argc > 5) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35594:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35594 |      if (!_v) goto check_2; return _wrap_OBBuilder_connect__SWIG_1(nargs, args, self);}  check_2: if (argc == 4) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35594:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35594 |      if (!_v) goto check_2; return _wrap_OBBuilder_connect__SWIG_1(nargs, args, self);}  check_2: if (argc == 4) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_correct_stereo_atoms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35649:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35649 | SWIGINTERN VALUE _wrap_OBBuilder_correct_stereo_atoms(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35710:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35710 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35710:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35710 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_do__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35734:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35734 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35734:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35734 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_do__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35755:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35755 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35755:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35755 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_do__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35770:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35770 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35770:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35770 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_do(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35782:86: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35782 | SWIGINTERN VALUE _wrap_OBOp_do(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs + 1;
      |                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBRotorRule(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35880:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35880 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35880:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35880 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotor_set_dihedral_atoms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36095:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36095 |      if (!_v) goto check_1; return _wrap_OBRotor_set_dihedral_atoms__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36095:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36095 |      if (!_v) goto check_1; return _wrap_OBRotor_set_dihedral_atoms__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotor_set_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36176:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36176 | SWIGINTERN VALUE _wrap_OBRotor_set_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotor_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36249:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36249 | SWIGINTERN VALUE _wrap_OBRotor_set(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[7]; int ii; argc = nargs + 1;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotor_get_dihedral_atoms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36300:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36300 | SWIGINTERN VALUE _wrap_OBRotor_get_dihedral_atoms(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotorList_setup(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36559:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36559 | SWIGINTERN VALUE _wrap_OBRotorList_setup(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotorList_find_rotors(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36636:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36636 | SWIGINTERN VALUE _wrap_OBRotorList_find_rotors(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_RotorDigit(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36794:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36794 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36794:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36794 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36793:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36793 | SWIGINTERN VALUE _wrap_new_RotorDigit(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotamerList_setup(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36973:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36973 | SWIGINTERN VALUE _wrap_OBRotamerList_setup(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotamerList_add_rotamer(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37048:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37048 |     if (!_v) goto check_3; return _wrap_OBRotamerList_add_rotamer__SWIG_3(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37048:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37048 |     if (!_v) goto check_3; return _wrap_OBRotamerList_add_rotamer__SWIG_3(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotamerList_set_base_coordinate_sets(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37179:117: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37179 | SWIGINTERN VALUE _wrap_OBRotamerList_set_base_coordinate_sets(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolAtomIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37251:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37251 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37251:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37251 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37254:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37254 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37254:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37254 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37294:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37294 | SWIGINTERN VALUE _wrap_OBMolAtomIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37464:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37464 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37464:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37464 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37468:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37468 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37468:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37468 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37514:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37514 | SWIGINTERN VALUE _wrap_OBMolAtomIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37567:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37567 | SWIGINTERN VALUE _wrap_OBMolAtomIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37588:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37588 | SWIGINTERN VALUE _wrap_OBMolAtomIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37826:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37826 | SWIGINTERN VALUE _wrap_OBMolAtomIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38005:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38005 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38005:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38005 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38043:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38043 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38043:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38043 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38167:116: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
38167 | SWIGINTERN VALUE _wrap_OBMolAtomIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38465:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
38465 | SWIGINTERN VALUE _wrap_OBMolAtomIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38544:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38544 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38544:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38544 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38600:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
38600 | SWIGINTERN VALUE _wrap_OBMolAtomIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38630:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38630 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38630:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38630 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38642:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38642 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38642:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38642 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38657:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38657 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38657:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38657 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38659:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38659 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38659:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38659 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38710:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38710 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38710:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38710 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38715:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38715 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38715:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38715 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38720:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38720 |     if (!_v) goto check_3; return _wrap_OBMolAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38720:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38720 |     if (!_v) goto check_3; return _wrap_OBMolAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38769:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38769 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38769:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38769 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38781:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38781 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38781:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38781 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolAtomDFSIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38900:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38900 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38900:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38900 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38903:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38903 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomDFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38903:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38903 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomDFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38946:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
38946 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39119:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39119 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39119:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39119 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39123:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39123 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39123:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39123 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39170:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39170 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39224:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39224 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39246:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39246 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39484:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39484 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39663:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39663 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39663:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39663 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39701:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39701 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39701:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39701 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39825:119: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39825 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40123:116: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40123 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40202:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40202 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40202:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40202 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40258:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40258 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40288:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40288 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40288:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40288 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40300:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40300 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40300:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40300 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40315:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40315 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40315:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40315 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40317:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40317 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40317:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40317 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40368:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40368 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40368:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40368 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40373:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40373 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40373:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40373 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40378:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40378 |      if (!_v) goto check_3; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40378:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40378 |      if (!_v) goto check_3; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40427:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40427 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40427:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40427 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40439:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40439 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40439:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40439 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolAtomBFSIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40558:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40558 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40558:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40558 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40561:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40561 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40561:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40561 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40604:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40604 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40777:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40777 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40777:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40777 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40781:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40781 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40781:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40781 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40828:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40828 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40882:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40882 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40904:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40904 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41142:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
41142 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41321:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41321 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41321:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41321 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41359:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41359 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41359:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41359 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41483:119: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
41483 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41781:116: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
41781 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41860:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41860 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41860:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41860 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41916:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
41916 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41946:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41946 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41946:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41946 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41958:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41958 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41958:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41958 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41973:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41973 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41973:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41973 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41975:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41975 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41975:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41975 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42026:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42026 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42026:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42026 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42031:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42031 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42031:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42031 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42036:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42036 |      if (!_v) goto check_3; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42036:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42036 |      if (!_v) goto check_3; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42085:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42085 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42085:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42085 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42097:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42097 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42097:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42097 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolBondBFSIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42216:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42216 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42216:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42216 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42219:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42219 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42219:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42219 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42262:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42262 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42395:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42395 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42439:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42439 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_wedge(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42461:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42461 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42483:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42483 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_wedge_or_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42505:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42505 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42527:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42527 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_closure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42549:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42549 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_begin_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42621:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42621 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_end_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42645:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42645 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_is_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42743:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42743 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42908:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42908 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42938:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42938 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42938:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42938 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42950:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42950 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42950:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42950 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42965:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42965 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42965:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42965 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42967:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42967 |     if (!_v) goto check_2; return _wrap_OBMolBondBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42967:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42967 |     if (!_v) goto check_2; return _wrap_OBMolBondBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43018:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43018 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43018:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43018 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43023:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43023 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43023:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43023 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43028:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43028 |      if (!_v) goto check_3; return _wrap_OBMolBondBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43028:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43028 |      if (!_v) goto check_3; return _wrap_OBMolBondBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43077:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43077 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43077:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43077 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43089:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43089 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43089:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43089 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolBondIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43195:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43195 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43195:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43195 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43198:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43198 |     if (!_v) goto check_2; return _wrap_new_OBMolBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43198:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43198 |     if (!_v) goto check_2; return _wrap_new_OBMolBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43238:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43238 | SWIGINTERN VALUE _wrap_OBMolBondIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43360:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43360 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43403:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43403 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_wedge(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43424:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43424 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43445:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43445 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_wedge_or_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43466:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43466 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43487:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43487 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_closure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43508:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43508 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_begin_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43580:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43580 | SWIGINTERN VALUE _wrap_OBMolBondIter_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_end_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43604:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43604 | SWIGINTERN VALUE _wrap_OBMolBondIter_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_is_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43702:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43702 | SWIGINTERN VALUE _wrap_OBMolBondIter_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43867:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43867 | SWIGINTERN VALUE _wrap_OBMolBondIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43897:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43897 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43897:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43897 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43909:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43909 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43909:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43909 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43924:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43924 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43924:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43924 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43926:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43926 |     if (!_v) goto check_2; return _wrap_OBMolBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43926:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43926 |     if (!_v) goto check_2; return _wrap_OBMolBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43977:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43977 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43977:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43977 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43982:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43982 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43982:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43982 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43987:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43987 |     if (!_v) goto check_3; return _wrap_OBMolBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43987:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43987 |     if (!_v) goto check_3; return _wrap_OBMolBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44036:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44036 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44036:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44036 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44048:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44048 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44048:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44048 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBAtomAtomIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44156:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44156 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44156:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44156 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44159:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44159 |     if (!_v) goto check_2; return _wrap_new_OBAtomAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44159:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44159 |     if (!_v) goto check_2; return _wrap_new_OBAtomAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44200:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44200 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44362:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44362 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44362:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44362 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44366:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44366 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44366:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44366 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44413:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44413 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44466:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44466 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44487:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44487 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44725:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44725 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44904:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44904 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44904:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44904 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44942:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44942 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44942:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44942 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45066:117: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45066 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45364:114: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45364 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45443:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45443 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45443:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45443 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45499:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45499 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45529:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45529 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45529:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45529 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45541:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45541 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45541:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45541 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45556:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45556 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45556:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45556 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45558:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45558 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45558:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45558 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45609:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45609 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45609:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45609 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45614:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45614 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45614:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45614 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45619:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45619 |     if (!_v) goto check_3; return _wrap_OBAtomAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45619:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45619 |     if (!_v) goto check_3; return _wrap_OBAtomAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45668:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45668 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45668:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45668 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45680:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45680 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45680:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45680 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBAtomBondIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45788:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45788 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45788:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45788 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45791:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45791 |     if (!_v) goto check_2; return _wrap_new_OBAtomBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45791:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45791 |     if (!_v) goto check_2; return _wrap_new_OBAtomBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45832:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45832 | SWIGINTERN VALUE _wrap_OBAtomBondIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45955:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45955 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45998:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45998 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_wedge(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46019:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46019 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46040:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46040 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_wedge_or_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46061:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46061 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46082:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46082 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_closure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46103:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46103 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_begin_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46175:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46175 | SWIGINTERN VALUE _wrap_OBAtomBondIter_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_end_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46199:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46199 | SWIGINTERN VALUE _wrap_OBAtomBondIter_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_is_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46297:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46297 | SWIGINTERN VALUE _wrap_OBAtomBondIter_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46462:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46462 | SWIGINTERN VALUE _wrap_OBAtomBondIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46492:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46492 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46492:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46492 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46504:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46504 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46504:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46504 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46519:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46519 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46519:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46519 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46521:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46521 |     if (!_v) goto check_2; return _wrap_OBAtomBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46521:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46521 |     if (!_v) goto check_2; return _wrap_OBAtomBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46572:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46572 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46572:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46572 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46577:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46577 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46577:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46577 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46582:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46582 |     if (!_v) goto check_3; return _wrap_OBAtomBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46582:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46582 |     if (!_v) goto check_3; return _wrap_OBAtomBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46631:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46631 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46631:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46631 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46643:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46643 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46643:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46643 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBResidueIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46749:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46749 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46749:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46749 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46752:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46752 |     if (!_v) goto check_2; return _wrap_new_OBResidueIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46752:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46752 |     if (!_v) goto check_2; return _wrap_new_OBResidueIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46792:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46792 | SWIGINTERN VALUE _wrap_OBResidueIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_set_name(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46860:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46860 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46860:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46860 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_set_num(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46883:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46883 |     if (!_v) goto check_1; return _wrap_OBResidueIter_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46883:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46883 |     if (!_v) goto check_1; return _wrap_OBResidueIter_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_get_bonds(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47061:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47061 | SWIGINTERN VALUE _wrap_OBResidueIter_get_bonds(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47265:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47265 | SWIGINTERN VALUE _wrap_OBResidueIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47295:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47295 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47295:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47295 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47307:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47307 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47307:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47307 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47322:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47322 |     if (!_v) goto check_1; return _wrap_OBResidueIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47322:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47322 |     if (!_v) goto check_1; return _wrap_OBResidueIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47324:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47324 |     if (!_v) goto check_2; return _wrap_OBResidueIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47324:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47324 |     if (!_v) goto check_2; return _wrap_OBResidueIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47375:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47375 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47375:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47375 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47380:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47380 |     if (!_v) goto check_1; return _wrap_OBResidueIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47380:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47380 |     if (!_v) goto check_1; return _wrap_OBResidueIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47385:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47385 |     if (!_v) goto check_3; return _wrap_OBResidueIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47385:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47385 |     if (!_v) goto check_3; return _wrap_OBResidueIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47434:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47434 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47434:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47434 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47446:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47446 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47446:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47446 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBResidueAtomIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47559:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47559 |     if (!_v) goto check_2; return _wrap_new_OBResidueAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47559:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47559 |     if (!_v) goto check_2; return _wrap_new_OBResidueAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47601:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47601 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47769:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47769 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47769:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47769 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47773:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47773 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47773:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47773 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47820:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47820 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47874:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47874 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47896:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47896 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48134:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
48134 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48314:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48314 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48314:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48314 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48352:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48352 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48352:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48352 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48476:120: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
48476 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48774:117: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
48774 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48853:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48853 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48853:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48853 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48909:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
48909 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48939:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48939 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48939:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48939 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48951:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48951 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48951:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48951 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48966:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48966 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48966:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48966 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48968:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48968 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48968:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48968 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49019:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49019 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49019:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49019 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49024:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49024 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49024:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49024 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49029:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49029 |      if (!_v) goto check_3; return _wrap_OBResidueAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49029:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49029 |      if (!_v) goto check_3; return _wrap_OBResidueAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49078:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49078 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49078:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49078 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49090:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49090 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49090:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49090 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolAngleIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49198:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49198 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49198:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49198 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49201:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49201 |     if (!_v) goto check_2; return _wrap_new_OBMolAngleIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49201:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49201 |     if (!_v) goto check_2; return _wrap_new_OBMolAngleIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolTorsionIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49277:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49277 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49277:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49277 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49280:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49280 |     if (!_v) goto check_2; return _wrap_new_OBMolTorsionIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49280:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49280 |     if (!_v) goto check_2; return _wrap_new_OBMolTorsionIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolPairIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49354:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49354 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49354:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49354 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49357:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49357 |     if (!_v) goto check_2; return _wrap_new_OBMolPairIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49357:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49357 |     if (!_v) goto check_2; return _wrap_new_OBMolPairIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolRingIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49429:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49429 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49429:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49429 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49432:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49432 |     if (!_v) goto check_2; return _wrap_new_OBMolRingIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49432:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49432 |     if (!_v) goto check_2; return _wrap_new_OBMolRingIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolRingIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49472:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
49472 | SWIGINTERN VALUE _wrap_OBMolRingIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolRingIter__path_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49528:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49528 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49528:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49528 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolRingIter_set_type__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49594:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49594 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49594:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49594 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolRingIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49611:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49611 |     if (!_v) goto check_1; return _wrap_OBMolRingIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49611:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49611 |     if (!_v) goto check_1; return _wrap_OBMolRingIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBChargeModel__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49731:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49731 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49731:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49731 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBChargeModel__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49750:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49750 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return self; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49750:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49750 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return self; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBChargeModel(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49752:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49752 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49752:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49752 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49751:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
49751 | SWIGINTERN VALUE _wrap_new_OBChargeModel(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBChargeModel_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49765:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49765 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49765:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49765 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBChargeModel_compute_charges__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49796:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49796 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49796:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49796 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBChargeModel_compute_charges(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49797:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
49797 | SWIGINTERN VALUE _wrap_OBChargeModel_compute_charges(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPhModel_correct_for_ph(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49972:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
49972 | SWIGINTERN VALUE _wrap_OBPhModel_correct_for_ph(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBGraphSym(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50012:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50012 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50012:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50012 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50011:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50011 | SWIGINTERN VALUE _wrap_new_OBGraphSym(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_get_instance__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50068:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50068 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50068:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50068 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_get_instance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50079:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50079 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_get_instance(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_map_first(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50128:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50128 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_first(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_map_unique(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50178:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50178 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_unique(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_map_all(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50256:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50256 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_all(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_map_generic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50306:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50306 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_generic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50377:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50377 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50377:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50377 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50408:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50408 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50408:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50408 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50434:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50434 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50434:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50434 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_6(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50525:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50525 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50525:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50525 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_7(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50546:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50546 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50546:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50546 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50548:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50548 |   if (argc > 5) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50548:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50548 |   if (argc > 5) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50551:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50551 |     if (!_v) goto check_2; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50551:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50551 |     if (!_v) goto check_2; { void *vptr = 0;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50562:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50562 |     if (!_v) goto check_5; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50562:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50562 |     if (!_v) goto check_5; { void *vptr = 0;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50572:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50572 |     if (!_v) goto check_6; return _wrap_find_automorphisms__SWIG_6(nargs, args, self);}  check_6: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50572:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50572 |     if (!_v) goto check_6; return _wrap_find_automorphisms__SWIG_6(nargs, args, self);}  check_6: if (argc == 4) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBQueryAtom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50629:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50629 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50629:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50629 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50628:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50628 | SWIGINTERN VALUE _wrap_new_OBQueryAtom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBQueryBond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50741:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50741 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50741:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50741 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50740:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50740 | SWIGINTERN VALUE _wrap_new_OBQueryBond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_compile_molecule_query(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50914:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50914 | SWIGINTERN VALUE _wrap_compile_molecule_query(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_compile_smiles_query__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50936:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50936 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50936:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50936 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_compile_smiles_query__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50946:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50946 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50946:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50946 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_compile_smiles_query(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50948:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50948 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50948:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50948 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50947:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50947 | SWIGINTERN VALUE _wrap_compile_smiles_query(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50984:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50984 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50984:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50984 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51013:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51013 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51013:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51013 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51039:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51039 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51039:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51039 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51060:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51060 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51060:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51060 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51062:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51062 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51062:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51062 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51061:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51061 | SWIGINTERN VALUE _wrap_canonical_labels(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBStereo_make_refs(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51111:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51111 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51111:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51111 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51110:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51110 | SWIGINTERN VALUE _wrap_OBStereo_make_refs(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBStereoUnit(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51255:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51255 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51255:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51255 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51254:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51254 | SWIGINTERN VALUE _wrap_new_OBStereoUnit(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBStereoFacade(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51396:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51396 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51396:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51396 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51395:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51395 | SWIGINTERN VALUE _wrap_new_OBStereoFacade(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_perceive_stereo(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51545:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51545 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51545:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51545 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51544:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51544 | SWIGINTERN VALUE _wrap_perceive_stereo(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_stereo_from_2d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51587:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51587 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51587:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51587 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51586:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51586 | SWIGINTERN VALUE _wrap_stereo_from_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_stereo_from_3d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51609:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51609 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51609:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51609 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51608:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51608 | SWIGINTERN VALUE _wrap_stereo_from_3d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_tetrahedral_from_3d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51660:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51660 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51660:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51660 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51659:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51659 | SWIGINTERN VALUE _wrap_tetrahedral_from_3d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_tetrahedral_from_2d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51707:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51707 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51707:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51707 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51706:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51706 | SWIGINTERN VALUE _wrap_tetrahedral_from_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_tetrahedral_from_0d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51754:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51754 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51754:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51754 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51753:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51753 | SWIGINTERN VALUE _wrap_tetrahedral_from_0d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_cis_trans_from_3d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51801:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51801 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51801:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51801 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51800:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51800 | SWIGINTERN VALUE _wrap_cis_trans_from_3d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_cis_trans_from_2d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51879:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51879 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51879:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51879 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51878:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51878 | SWIGINTERN VALUE _wrap_cis_trans_from_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_cis_trans_from_0d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51993:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51993 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51993:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51993 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51992:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51992 | SWIGINTERN VALUE _wrap_cis_trans_from_0d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_stereogenic_units__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52017:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
52017 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52017:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
52017 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_stereogenic_units__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52041:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
52041 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52041:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
52041 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_stereogenic_units(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52042:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
52042 | SWIGINTERN VALUE _wrap_find_stereogenic_units(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘void* _p_OpenBabel__CharPtrLessTo_p_std__binary_functionT_char_const_p_char_const_p_bool_t(void*, int*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:53298:27: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
53298 |     return (void *)((std::binary_function< char const *,char const *,bool > *)  ((OpenBabel::CharPtrLess *) x));
      |                           ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 99%] Linking CXX shared module ../lib64/OpenBabel.so
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/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/bindings_perl.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/OpenBabel.so "CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o"  -lperl ../lib64/libopenbabel.so.7.0.0 -lpthread -lresolv -ldl -lm -lcrypt -lutil -lc -lm -ldl -lz
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make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[100%] Built target bindings_perl
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[100%] Linking CXX shared module ../lib64/openbabel.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/scripts && /usr/bin/cmake -E cmake_link_script CMakeFiles/bindings_ruby.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -DEIGEN_ALTIVEC_DISABLE_MMA -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/bindings_ruby.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/openbabel.so "CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o"  -lruby ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[100%] Built target bindings_ruby
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/CMakeFiles 0
make: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.HRFDxq
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ '[' /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT '!=' / ']'
+ rm -rf /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
++ dirname /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
+ mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build
+ mkdir /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd openbabel-openbabel-3-1-1
+ /usr/bin/make install DESTDIR=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT 'INSTALL=/usr/bin/install -p' -C ppc64le-redhat-linux-gnu
make: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/cmake -S/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 -B/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0
/usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/CMakeFiles /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu//CMakeFiles/progress.marks
/usr/bin/make  -f CMakeFiles/Makefile2 all
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/openbabel.dir/build.make src/CMakeFiles/openbabel.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/CMakeFiles/openbabel.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/CMakeFiles/openbabel.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 14%] Built target openbabel
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/CMakeFiles/plugin_descriptors.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_descriptors.dir/build.make src/CMakeFiles/plugin_descriptors.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/CMakeFiles/plugin_descriptors.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 15%] Built target plugin_descriptors
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/CMakeFiles/plugin_fingerprints.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/CMakeFiles/plugin_fingerprints.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 16%] Built target plugin_fingerprints
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/CMakeFiles/plugin_forcefields.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/CMakeFiles/plugin_forcefields.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/CMakeFiles/plugin_ops.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/CMakeFiles/plugin_ops.dir/build'.
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[ 23%] Built target plugin_ops
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/CMakeFiles/plugin_charges.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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[ 25%] Built target plugin_charges
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/smilesformat.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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[ 25%] Built target smilesformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/mdlformat.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
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[ 25%] Built target mdlformat
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/mol2format.dir/DependInfo.cmake "--color="
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[ 25%] Built target mol2format
/usr/bin/make  -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/pdbformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pdbformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 26%] Built target pdbformat
/usr/bin/make  -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/inchiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/inchiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 27%] Built target inchiformat
/usr/bin/make  -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/asciiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/asciiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 28%] Built target asciiformat
/usr/bin/make  -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/copyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/copyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 29%] Built target copyformat
/usr/bin/make  -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/MNAformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/MNAformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 29%] Built target MNAformat
/usr/bin/make  -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/molreport.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/molreport.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 29%] Built target molreport
/usr/bin/make  -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/nulformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/nulformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 30%] Built target nulformat
/usr/bin/make  -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/painterformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/painterformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 31%] Built target painterformat
/usr/bin/make  -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/povrayformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/povrayformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 32%] Built target povrayformat
/usr/bin/make  -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/reportformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/reportformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 32%] Built target reportformat
/usr/bin/make  -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/svgformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/svgformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 32%] Built target svgformat
/usr/bin/make  -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/textformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/textformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 33%] Built target textformat
/usr/bin/make  -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/titleformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/titleformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 34%] Built target titleformat
/usr/bin/make  -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/confabreport.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/confabreport.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 34%] Built target confabreport
/usr/bin/make  -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/pngformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pngformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 35%] Built target pngformat
/usr/bin/make  -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/acesformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/acesformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 35%] Built target acesformat
/usr/bin/make  -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/abinitformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/abinitformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 35%] Built target abinitformat
/usr/bin/make  -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/adfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/adfformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 35%] Built target adfformat
/usr/bin/make  -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/aoforceformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/aoforceformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 35%] Built target aoforceformat
/usr/bin/make  -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/castepformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/castepformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 36%] Built target castepformat
/usr/bin/make  -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/crystal09format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/crystal09format.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 37%] Built target crystal09format
/usr/bin/make  -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/daltonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/daltonformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 37%] Built target daltonformat
/usr/bin/make  -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/dmolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/dmolformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 37%] Built target dmolformat
/usr/bin/make  -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/fchkformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fchkformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 38%] Built target fchkformat
/usr/bin/make  -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/fhiaimsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fhiaimsformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 38%] Built target fhiaimsformat
/usr/bin/make  -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/gamessformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gamessformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 39%] Built target gamessformat
/usr/bin/make  -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/gaussformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gaussformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 40%] Built target gaussformat
/usr/bin/make  -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/gausscubeformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gausscubeformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 40%] Built target gausscubeformat
/usr/bin/make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/gausszmatformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gausszmatformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 40%] Built target gausszmatformat
/usr/bin/make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/gulpformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gulpformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 41%] Built target gulpformat
/usr/bin/make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/hinformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/hinformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 41%] Built target hinformat
/usr/bin/make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/jaguarformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/jaguarformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 41%] Built target jaguarformat
/usr/bin/make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/molproformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/molproformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 41%] Built target molproformat
/usr/bin/make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/mopacformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mopacformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 42%] Built target mopacformat
/usr/bin/make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/nwchemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/nwchemformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 42%] Built target nwchemformat
/usr/bin/make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/pwscfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pwscfformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 43%] Built target pwscfformat
/usr/bin/make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/qchemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/qchemformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 43%] Built target qchemformat
/usr/bin/make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/siestaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/siestaformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Built target siestaformat
/usr/bin/make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/turbomoleformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/turbomoleformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Built target turbomoleformat
/usr/bin/make  -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/vaspformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/vaspformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Built target vaspformat
/usr/bin/make  -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/xsfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xsfformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 44%] Built target xsfformat
/usr/bin/make  -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/zindoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/zindoformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 45%] Built target zindoformat
/usr/bin/make  -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/gamessukformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gamessukformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 45%] Built target gamessukformat
/usr/bin/make  -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/orcaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/orcaformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 45%] Built target orcaformat
/usr/bin/make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/APIInterface.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/APIInterface.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 45%] Built target APIInterface
/usr/bin/make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/CSRformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/CSRformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 45%] Built target CSRformat
/usr/bin/make  -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/PQSformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/PQSformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 46%] Built target PQSformat
/usr/bin/make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/MCDLformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/MCDLformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 47%] Built target MCDLformat
/usr/bin/make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/alchemyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/alchemyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 48%] Built target alchemyformat
/usr/bin/make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/acrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/acrformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 49%] Built target acrformat
/usr/bin/make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/amberformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/amberformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 49%] Built target amberformat
/usr/bin/make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/balstformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/balstformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 49%] Built target balstformat
/usr/bin/make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/bgfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/bgfformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 50%] Built target bgfformat
/usr/bin/make  -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/boxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/boxformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 50%] Built target boxformat
/usr/bin/make  -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/cacaoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cacaoformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 50%] Built target cacaoformat
/usr/bin/make  -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/cacheformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cacheformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Built target cacheformat
/usr/bin/make  -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/carformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/carformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Built target carformat
/usr/bin/make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/cccformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cccformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Built target cccformat
/usr/bin/make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/chem3dformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chem3dformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Built target chem3dformat
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawct.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemdrawct.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Built target chemdrawct
/usr/bin/make  -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/chemtoolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemtoolformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Built target chemtoolformat
/usr/bin/make  -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/cifformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cifformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Built target cifformat
/usr/bin/make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/cofformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cofformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Built target cofformat
/usr/bin/make  -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/crkformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/crkformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Built target crkformat
/usr/bin/make  -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/cssrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cssrformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 51%] Built target cssrformat
/usr/bin/make  -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/dlpolyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/dlpolyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 52%] Built target dlpolyformat
/usr/bin/make  -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/exyzformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/exyzformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 53%] Built target exyzformat
/usr/bin/make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/fastsearchformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fastsearchformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 53%] Built target fastsearchformat
/usr/bin/make  -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/fastaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fastaformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 53%] Built target fastaformat
/usr/bin/make  -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/featformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/featformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 53%] Built target featformat
/usr/bin/make  -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/fhformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fhformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 54%] Built target fhformat
/usr/bin/make  -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/fingerprintformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fingerprintformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 54%] Built target fingerprintformat
/usr/bin/make  -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/fpsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fpsformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 55%] Built target fpsformat
/usr/bin/make  -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/freefracformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/freefracformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 55%] Built target freefracformat
/usr/bin/make  -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/ghemicalformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/ghemicalformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 56%] Built target ghemicalformat
/usr/bin/make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/gromos96format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gromos96format.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 56%] Built target gromos96format
/usr/bin/make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/groformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/groformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 56%] Built target groformat
/usr/bin/make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/lmpdatformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/lmpdatformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 57%] Built target lmpdatformat
/usr/bin/make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/lpmdformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/lpmdformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 57%] Built target lpmdformat
/usr/bin/make  -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/mdffformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mdffformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 58%] Built target mdffformat
/usr/bin/make  -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/mmcifformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mmcifformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 58%] Built target mmcifformat
/usr/bin/make  -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/mmodformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mmodformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 59%] Built target mmodformat
/usr/bin/make  -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/moldenformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/moldenformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 60%] Built target moldenformat
/usr/bin/make  -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/mpdformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mpdformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 60%] Built target mpdformat
/usr/bin/make  -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/mpqcformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mpqcformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 61%] Built target mpqcformat
/usr/bin/make  -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/msiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/msiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 61%] Built target msiformat
/usr/bin/make  -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/msmsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/msmsformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 61%] Built target msmsformat
/usr/bin/make  -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/opendxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/opendxformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Built target opendxformat
/usr/bin/make  -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/outformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/outformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Built target outformat
/usr/bin/make  -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/pcmodelformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pcmodelformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Built target pcmodelformat
/usr/bin/make  -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/pdbqtformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pdbqtformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Built target pdbqtformat
/usr/bin/make  -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/pointcloudformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pointcloudformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Built target pointcloudformat
/usr/bin/make  -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/posformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/posformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Built target posformat
/usr/bin/make  -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/pqrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pqrformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Built target pqrformat
/usr/bin/make  -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/shelxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/shelxformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 62%] Built target shelxformat
/usr/bin/make  -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/smileyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/smileyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 63%] Built target smileyformat
/usr/bin/make  -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/stlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/stlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 63%] Built target stlformat
/usr/bin/make  -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/thermoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/thermoformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 63%] Built target thermoformat
/usr/bin/make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/tinkerformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/tinkerformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 63%] Built target tinkerformat
/usr/bin/make  -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/unichemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/unichemformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 64%] Built target unichemformat
/usr/bin/make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/viewmolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/viewmolformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 64%] Built target viewmolformat
/usr/bin/make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/wlnformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/wlnformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 65%] Built target wlnformat
/usr/bin/make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/xedformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xedformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 65%] Built target xedformat
/usr/bin/make  -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/xyzformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xyzformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 66%] Built target xyzformat
/usr/bin/make  -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/yasaraformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/yasaraformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 66%] Built target yasaraformat
/usr/bin/make  -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/rxnformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/rxnformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 66%] Built target rxnformat
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawcdx.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemdrawcdx.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 67%] Built target chemdrawcdx
/usr/bin/make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/chemkinformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemkinformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 68%] Built target chemkinformat
/usr/bin/make  -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/rinchiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/rinchiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 69%] Built target rinchiformat
/usr/bin/make  -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/rsmiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/rsmiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 70%] Built target rsmiformat
/usr/bin/make  -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/png2format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/png2format.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 70%] Built target png2format
/usr/bin/make  -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/cdxmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cdxmlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 71%] Built target cdxmlformat
/usr/bin/make  -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/cmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cmlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 72%] Built target cmlformat
/usr/bin/make  -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/pubchem.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pubchem.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 73%] Built target pubchem
/usr/bin/make  -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/xmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xmlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 74%] Built target xmlformat
/usr/bin/make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/cmlreactformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cmlreactformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
[ 75%] Built target cmlreactformat
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/chemdoodlejsonformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/formats/CMakeFiles/pubchemjsonformat.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools/CMakeFiles/obabel.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools/CMakeFiles/obgen.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools/CMakeFiles/obrotate.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools/CMakeFiles/obsym.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools/CMakeFiles/obtautomer.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/tools/CMakeFiles/obrms.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/GUI /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/src/GUI/CMakeFiles/obgui.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test/CMakeFiles/test_runner.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test/CMakeFiles/test_inchiwrite.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test/CMakeFiles/roundtrip.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/scripts/CMakeFiles/bindings_perl.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/scripts/CMakeFiles/bindings_ruby.dir/DependInfo.cmake "--color="
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Install the project...
/usr/bin/cmake -P cmake_install.cmake
-- Install configuration: "Release"
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-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obgui
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/roundtrip
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/_openbabel.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/__init__.py
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/openbabel.py
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/pybel.py
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/perl5/vendor_perl/auto/Chemistry/OpenBabel/OpenBabel.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/perl5/vendor_perl/Chemistry/OpenBabel.pm
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/ruby/vendor_ruby/openbabel.so
make: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu'
+ rm -f '/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/cmake/openbabel2/*.cmake'
+ desktop-file-install --dir=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/applications /builddir/build/SOURCES/obgui.desktop
+ install -Dpm644 babel.png /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/pixmaps/babel.png
+ mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/etc/profile.d
+ cat
+ cat
+ /usr/bin/find-debuginfo -j8 --strict-build-id -m -i --build-id-seed 3.1.1-32.fc42 --unique-debug-suffix -3.1.1-32.fc42.ppc64le --unique-debug-src-base openbabel-3.1.1-32.fc42.ppc64le --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 50000000 -S debugsourcefiles.list /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1
find-debuginfo: starting
Extracting debug info from 151 files
DWARF-compressing 151 files
sepdebugcrcfix: Updated 151 CRC32s, 0 CRC32s did match.
Creating .debug symlinks for symlinks to ELF files
Copying sources found by 'debugedit -l' to /usr/src/debug/openbabel-3.1.1-32.fc42.ppc64le
find-debuginfo: done
+ /usr/lib/rpm/check-buildroot
+ /usr/lib/rpm/redhat/brp-ldconfig
+ /usr/lib/rpm/brp-compress
+ /usr/lib/rpm/redhat/brp-strip-lto /usr/bin/strip
+ /usr/lib/rpm/brp-strip-static-archive /usr/bin/strip
+ /usr/lib/rpm/check-rpaths
+ /usr/lib/rpm/redhat/brp-mangle-shebangs
+ /usr/lib/rpm/brp-remove-la-files
+ env /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0 -j8
Bytecompiling .py files below /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13 using python3.13
Bytecompiling .py files below /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib/debug/usr/lib64/python3.13 using python3.13
+ /usr/lib/rpm/redhat/brp-python-hardlink
+ /usr/bin/add-determinism --brp -j8 /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/__pycache__/__init__.cpython-313.pyc: rewriting with normalized contents
/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/__pycache__/pybel.cpython-313.pyc: rewriting with normalized contents
/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/__pycache__/openbabel.cpython-313.pyc: rewriting with normalized contents
Scanned 92 directories and 890 files,
               processed 3 inodes,
               3 modified (0 replaced + 3 rewritten),
               0 unsupported format, 0 errors
Reading /builddir/build/BUILD/openbabel-3.1.1-build/SPECPARTS/rpm-debuginfo.specpart
Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.bDT1oq
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd openbabel-openbabel-3-1-1
+ rm -f ppc64le-redhat-linux-gnu/lib64/openbabel.so
+ export CTEST_OUTPUT_ON_FAILURE=1
+ CTEST_OUTPUT_ON_FAILURE=1
+ export PYTHONPATH=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages
+ PYTHONPATH=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages
+ /usr/bin/ctest --test-dir ppc64le-redhat-linux-gnu --output-on-failure --force-new-ctest-process -j8 --test-dir ppc64le-redhat-linux-gnu -VV -E 'pybindtest_bindings|pybindtest_obconv_writers|test_align_4|test_align_5'
Internal ctest changing into directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu
UpdateCTestConfiguration  from :/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/DartConfiguration.tcl
Parse Config file:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/DartConfiguration.tcl
UpdateCTestConfiguration  from :/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/DartConfiguration.tcl
Parse Config file:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/DartConfiguration.tcl
Test project /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu
Constructing a list of tests
Done constructing a list of tests
Updating test list for fixtures
Added 0 tests to meet fixture requirements
Checking test dependency graph...
Checking test dependency graph end
test 1
        Start   1: test_align_1
1: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "aligntest" "1"
1: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
1: Environment variables: 
1:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
1:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
1: Test timeout computed to be: 1500
test 2
        Start   2: test_align_2
2: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "aligntest" "2"
2: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
2: Environment variables: 
2:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
2:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
2: Test timeout computed to be: 1500
test 3
        Start   3: test_align_3
3: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "aligntest" "3"
3: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
3: Environment variables: 
3:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
3:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
3: Test timeout computed to be: 1500
test 4
        Start   4: test_alias_1
4: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "aliastest" "1"
4: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
4: Environment variables: 
4:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
4:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
4: Test timeout computed to be: 1500
test 5
        Start   5: test_automorphism_1
5: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "automorphismtest" "1"
5: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
5: Environment variables: 
5:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
5:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
5: Test timeout computed to be: 1500
test 6
        Start   6: test_automorphism_2
6: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "automorphismtest" "2"
6: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
6: Environment variables: 
6:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
6:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
6: Test timeout computed to be: 1500
test 7
        Start   7: test_automorphism_3
7: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "automorphismtest" "3"
7: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
7: Environment variables: 
7:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
7:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
7: Test timeout computed to be: 1500
test 8
        Start   8: test_automorphism_4
8: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "automorphismtest" "4"
8: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
8: Environment variables: 
8:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
8:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
8: Test timeout computed to be: 1500
  1/208 Test   #1: test_align_1 .....................   Passed    0.01 sec
  2/208 Test   #2: test_align_2 .....................   Passed    0.01 sec
  3/208 Test   #3: test_align_3 .....................   Passed    0.01 sec
test 9
        Start   9: test_automorphism_5
9: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "automorphismtest" "5"
9: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
9: Environment variables: 
9:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
9:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
9: Test timeout computed to be: 1500
test 10
        Start  10: test_automorphism_6
10: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "automorphismtest" "6"
10: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
10: Environment variables: 
10:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
10:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
10: Test timeout computed to be: 1500
test 11
        Start  11: test_automorphism_7
11: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "automorphismtest" "7"
11: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
11: Environment variables: 
11:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
11:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
11: Test timeout computed to be: 1500
11: Hao, Xu paper, fig. 2: structure 6
6: Hao, Xu paper, fig. 2: structure 1
  4/208 Test  #11: test_automorphism_7 ..............   Passed    0.09 sec
test 12
        Start  12: test_automorphism_8
12: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "automorphismtest" "8"
12: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
12: Environment variables: 
12:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
12:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
12: Test timeout computed to be: 1500
7: Hao, Xu paper, fig. 2: structure 2
5: testAutomorphisms
5: 8
10: Hao, Xu paper, fig. 2: structure 5
  5/208 Test   #6: test_automorphism_2 ..............   Passed    0.10 sec
test 13
        Start  13: test_automorphism_9
13: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "automorphismtest" "9"
13: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
13: Environment variables: 
13:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
13:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
13: Test timeout computed to be: 1500
  6/208 Test   #5: test_automorphism_1 ..............   Passed    0.10 sec
test 14
        Start  14: test_automorphism_10
14: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "automorphismtest" "10"
14: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
14: Environment variables: 
14:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
14:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
14: Test timeout computed to be: 1500
  7/208 Test   #7: test_automorphism_3 ..............   Passed    0.10 sec
test 15
        Start  15: test_builder_1
15: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "buildertest" "1"
15: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
15: Environment variables: 
15:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
15:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
15: Test timeout computed to be: 1500
4: 
15:  Starting forcefield.sdf
  8/208 Test   #4: test_alias_1 .....................   Passed    0.12 sec
  9/208 Test  #10: test_automorphism_6 ..............   Passed    0.11 sec
test 16
        Start  16: test_builder_2
16: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "buildertest" "2"
16: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
16: Environment variables: 
16:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
16:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
16: Test timeout computed to be: 1500
test 17
        Start  17: test_builder_3
17: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "buildertest" "3"
17: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
17: Environment variables: 
17:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
17:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
17: Test timeout computed to be: 1500
8: Hao, Xu paper, fig. 2: structure 3
9: Hao, Xu paper, fig. 2: structure 4
 10/208 Test   #8: test_automorphism_4 ..............   Passed    0.12 sec
test 18
        Start  18: test_builder_4
18: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "buildertest" "4"
18: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
18: Environment variables: 
18:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
18:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
18: Test timeout computed to be: 1500
17:  SMILES OC1=CC3=C([C@@]2([H])CC[C@@]4(C)[C@](CC[C@@H]4O)([H])[C@@]([H])2[C@H](CCCCCCCCCS(CCCC(F)(F)C(F)(F)F)=O)C3)C=C1
16:  Starting filterset.sdf
 11/208 Test   #9: test_automorphism_5 ..............   Passed    0.12 sec
test 19
        Start  19: test_builder_5
19: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "buildertest" "5"
19: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
19: Environment variables: 
19:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
19:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
19: Test timeout computed to be: 1500
18:  SMILES O1C[C@H]2O[C@H]2c2ccc(Oc3c(O)ccc(CCC1=O)c3)cc2
19:  SMILES N12[C@@H]([C@@H](NC([C@@H](c3ccsc3)C(=O)O)=O)C2=O)SC(C)(C)[C@@-]1C(=O)O
12: Hao, Xu paper, fig. 2: structure 7
14: Hao, Xu paper, fig. 2: structure 9
13: Hao, Xu paper, fig. 2: structure 8
 12/208 Test  #12: test_automorphism_8 ..............   Passed    0.10 sec
test 20
        Start  20: test_builder_6
20: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "buildertest" "6"
20: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
20: Environment variables: 
20:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
20:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
20: Test timeout computed to be: 1500
 13/208 Test  #13: test_automorphism_9 ..............   Passed    0.10 sec
 14/208 Test  #14: test_automorphism_10 .............   Passed    0.10 sec
test 21
        Start  21: test_canonconsistent_1
21: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "canonconsistenttest" "1"
21: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
21: Environment variables: 
21:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
21:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
21: Test timeout computed to be: 1500
test 22
        Start  22: test_canonconsistent_2
22: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "canonconsistenttest" "2"
22: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
22: Environment variables: 
22:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
22:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
22: Test timeout computed to be: 1500
20:  SMILES OC1(C2=CN(CC3=CC=CC=C3F)N=N2)CCOC1
19: ==============================
19: *** Open Babel Warning  in ParseSmiles
19:   Ignoring stereochemistry. Not enough connections to this atom. 
22: PASSED TESTS: 10/10
 15/208 Test  #22: test_canonconsistent_2 ...........   Passed    0.10 sec
test 23
        Start  23: test_canonconsistent_3
23: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "canonconsistenttest" "3"
23: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
23: Environment variables: 
23:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
23:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
23: Test timeout computed to be: 1500
16: 56
15: 
 16/208 Test  #17: test_builder_3 ...................   Passed    0.21 sec
test 24
        Start  24: test_canonfragment_1
24: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "canonfragmenttest" "1"
24: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
24: Environment variables: 
24:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
24:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
24: Test timeout computed to be: 1500
 17/208 Test  #18: test_builder_4 ...................   Passed    0.22 sec
test 25
        Start  25: test_canonstable_1
25: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "canonstabletest" "1"
25: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
25: Environment variables: 
25:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
25:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
25: Test timeout computed to be: 1500
 18/208 Test  #19: test_builder_5 ...................   Passed    0.22 sec
test 26
        Start  26: test_carspacegroup_1
26: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "carspacegrouptest" "1"
26: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
26: Environment variables: 
26:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
26:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
26: Test timeout computed to be: 1500
16: 137
16: 135
 19/208 Test  #20: test_builder_6 ...................   Passed    0.21 sec
test 27
        Start  27: test_carspacegroup_2
27: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "carspacegrouptest" "2"
27: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
27: Environment variables: 
27:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
27:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
27: Test timeout computed to be: 1500
 20/208 Test  #26: test_carspacegroup_1 .............   Passed    0.10 sec
test 28
        Start  28: test_carspacegroup_3
28: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "carspacegrouptest" "3"
28: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
28: Environment variables: 
28:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
28:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
28: Test timeout computed to be: 1500
 21/208 Test  #24: test_canonfragment_1 .............   Passed    0.11 sec
test 29
        Start  29: test_carspacegroup_4
29: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "carspacegrouptest" "4"
29: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
29: Environment variables: 
29:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
29:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
29: Test timeout computed to be: 1500
16: 134
23: PASSED TESTS: 20/20
 22/208 Test  #23: test_canonconsistent_3 ...........   Passed    0.15 sec
test 30
        Start  30: test_cifspacegroup_1
30: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "1"
30: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
30: Environment variables: 
30:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
30:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
30: Test timeout computed to be: 1500
15: /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
16: 133
15: /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
16: 129
15: /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
16: 126
21: PASSED TESTS: 18/18
 23/208 Test  #21: test_canonconsistent_1 ...........   Passed    0.42 sec
test 31
        Start  31: test_cifspacegroup_2
31: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "2"
31: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
31: Environment variables: 
31:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
31:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
31: Test timeout computed to be: 1500
16: 123
16: Ethanol
16: Dimethyl Ether
 24/208 Test  #16: test_builder_2 ...................   Passed    0.63 sec
test 32
        Start  32: test_cifspacegroup_3
32: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "3"
32: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
32: Environment variables: 
32:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
32:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
32: Test timeout computed to be: 1500
 25/208 Test  #32: test_cifspacegroup_3 .............   Passed    0.01 sec
test 33
        Start  33: test_cifspacegroup_4
33: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "4"
33: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
33: Environment variables: 
33:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
33:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
33: Test timeout computed to be: 1500
15: /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
 26/208 Test  #27: test_carspacegroup_2 .............   Passed    0.51 sec
test 34
        Start  34: test_cifspacegroup_5
34: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "5"
34: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
34: Environment variables: 
34:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
34:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
34: Test timeout computed to be: 1500
 27/208 Test  #29: test_carspacegroup_4 .............   Passed    0.50 sec
test 35
        Start  35: test_cifspacegroup_6
35: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "6"
35: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
35: Environment variables: 
35:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
35:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
35: Test timeout computed to be: 1500
 28/208 Test  #28: test_carspacegroup_3 .............   Passed    0.52 sec
test 36
        Start  36: test_cifspacegroup_7
36: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "7"
36: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
36: Environment variables: 
36:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
36:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
36: Test timeout computed to be: 1500
 29/208 Test  #30: test_cifspacegroup_1 .............   Passed    0.51 sec
test 37
        Start  37: test_cifspacegroup_8
37: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "8"
37: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
37: Environment variables: 
37:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
37:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
37: Test timeout computed to be: 1500
 30/208 Test  #31: test_cifspacegroup_2 .............   Passed    0.53 sec
test 38
        Start  38: test_cifspacegroup_9
38: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "9"
38: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
38: Environment variables: 
38:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
38:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
38: Test timeout computed to be: 1500
33: ==============================
33: *** Open Babel Warning  in Find
33:   Unknown space group error, please file a bug report.
33: ==============================
33: *** Open Babel Warning  in Do
33:   Converting to P 1 cell using available symmetry transformations.
 31/208 Test  #33: test_cifspacegroup_4 .............   Passed    0.54 sec
test 39
        Start  39: test_cifspacegroup_10
39: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "10"
39: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
39: Environment variables: 
39:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
39:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
39: Test timeout computed to be: 1500
 32/208 Test  #34: test_cifspacegroup_5 .............   Passed    0.52 sec
test 40
        Start  40: test_cifspacegroup_11
40: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "11"
40: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
40: Environment variables: 
40:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
40:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
40: Test timeout computed to be: 1500
 33/208 Test  #35: test_cifspacegroup_6 .............   Passed    0.53 sec
test 41
        Start  41: test_cifspacegroup_12
41: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "12"
41: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
41: Environment variables: 
41:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
41:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
41: Test timeout computed to be: 1500
 34/208 Test  #36: test_cifspacegroup_7 .............   Passed    0.55 sec
test 42
        Start  42: test_cifspacegroup_13
42: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "13"
42: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
42: Environment variables: 
42:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
42:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
42: Test timeout computed to be: 1500
 35/208 Test  #37: test_cifspacegroup_8 .............   Passed    0.54 sec
test 43
        Start  43: test_cistrans_1
43: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cistranstest" "1"
43: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
43: Environment variables: 
43:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
43:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
43: Test timeout computed to be: 1500
 36/208 Test  #43: test_cistrans_1 ..................   Passed    0.00 sec
test 44
        Start  44: test_cistrans_2
44: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cistranstest" "2"
44: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
44: Environment variables: 
44:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
44:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
44: Test timeout computed to be: 1500
 37/208 Test  #44: test_cistrans_2 ..................   Passed    0.00 sec
test 45
        Start  45: test_cistrans_3
45: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cistranstest" "3"
45: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
45: Environment variables: 
45:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
45:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
45: Test timeout computed to be: 1500
45: ==============================
45: *** Open Babel Error  in SetConfig
45:   OBCisTransStereo::SetConfig : double bond begin id is invalid.
45: ==============================
45: *** Open Babel Error  in SetConfig
45:   OBCisTransStereo::SetConfig : double bond end id is invalid.
45: ==============================
45: *** Open Babel Error  in SetConfig
45:   OBCisTransStereo::SetConfig : found 0 reference ids, should be 4.
 38/208 Test  #45: test_cistrans_3 ..................   Passed    0.00 sec
test 46
        Start  46: test_cistrans_4
46: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cistranstest" "4"
46: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
46: Environment variables: 
46:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
46:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
46: Test timeout computed to be: 1500
 39/208 Test  #46: test_cistrans_4 ..................   Passed    0.00 sec
test 47
        Start  47: test_cistrans_5
47: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cistranstest" "5"
47: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
47: Environment variables: 
47:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
47:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
47: Test timeout computed to be: 1500
 40/208 Test  #47: test_cistrans_5 ..................   Passed    0.00 sec
test 48
        Start  48: test_cistrans_6
48: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cistranstest" "6"
48: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
48: Environment variables: 
48:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
48:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
48: Test timeout computed to be: 1500
 41/208 Test  #48: test_cistrans_6 ..................   Passed    0.09 sec
test 49
        Start  49: test_cistrans_7
49: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cistranstest" "7"
49: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
49: Environment variables: 
49:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
49:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
49: Test timeout computed to be: 1500
 42/208 Test  #38: test_cifspacegroup_9 .............   Passed    0.53 sec
test 50
        Start  50: test_cistrans_8
50: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cistranstest" "8"
50: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
50: Environment variables: 
50:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
50:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
50: Test timeout computed to be: 1500
 43/208 Test  #42: test_cifspacegroup_13 ............   Passed    0.18 sec
test 51
        Start  51: test_cistrans_9
51: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cistranstest" "9"
51: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
51: Environment variables: 
51:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
51:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
51: Test timeout computed to be: 1500
 44/208 Test  #49: test_cistrans_7 ..................   Passed    0.09 sec
test 52
        Start  52: test_conversion_1
52: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "conversion" "1"
52: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
52: Environment variables: 
52:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
52:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
52: Test timeout computed to be: 1500
50: ==============================
50: *** Open Babel Information  in IsOnSameAtom
50:   OBCisTransStereo::IsOnSameAtom : Atoms with id1 & id2 don't exist, must be a (deleted) hydrogens.
 45/208 Test  #50: test_cistrans_8 ..................   Passed    0.10 sec
test 53
        Start  53: test_graphsym_1
53: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "graphsymtest" "1"
53: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
53: Environment variables: 
53:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
53:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
53: Test timeout computed to be: 1500
53: Testing generic smiles <-> canonical smiles
52: ==============================
52: *** Open Babel Warning  in WriteMolecule
52:   No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D.
52: # Unit tests for OBConversion 
52: 1..9
52: ok 1
52: ok 2
52: ok 3
52: ok 4
52: ok 5
52: ok 6
52: ok 7
52: ok 8
51: ==============================
51: *** Open Babel Information  in IsOnSameAtom
51:   OBCisTransStereo::IsOnSameAtom : Atoms with id1 & id2 don't exist, must be a (deleted) hydrogens.
 46/208 Test  #52: test_conversion_1 ................   Passed    0.10 sec
test 54
        Start  54: test_graphsym_2
54: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "graphsymtest" "2"
54: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
54: Environment variables: 
54:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
54:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
54: Test timeout computed to be: 1500
 47/208 Test  #51: test_cistrans_9 ..................   Passed    0.12 sec
test 55
        Start  55: test_graphsym_3
55: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "graphsymtest" "3"
55: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
55: Environment variables: 
55:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
55:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
55: Test timeout computed to be: 1500
55: stereo/razinger_fig3.mol
54: Testing generic smiles <-> canonical smiles
 48/208 Test  #39: test_cifspacegroup_10 ............   Passed    0.54 sec
test 56
        Start  56: test_graphsym_4
56: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "graphsymtest" "4"
56: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
56: Environment variables: 
56:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
56:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
56: Test timeout computed to be: 1500
56: stereo/razinger_fig7_20.mol
53: smiles: C[C@H](O)N
53: mol1.NumAtoms = 4
53: canSmiles: C[C@H](O)N	
53: mol2.NumAtoms = 4
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: Cl[C@@](CCl)(I)Br
53: mol1.NumAtoms = 6
53: canSmiles: ClC[C@](I)(Br)Cl	
53: mol2.NumAtoms = 6
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: Cl/C=C/F
53: mol1.NumAtoms = 4
53: canSmiles: F/C=C/Cl	
53: mol2.NumAtoms = 4
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CCC[C@@H](O)CC\C=C\C=C\C#CC#C\C=C\CO
53: mol1.NumAtoms = 19
53: canSmiles: CCC[C@H](CC/C=C/C=C/C#CC#C/C=C/CO)O	
53: mol2.NumAtoms = 19
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: O1C=C[C@H]([C@H]1O2)c3c2cc(OC)c4c3OC(=O)C5=C4CCC(=O)5
53: mol1.NumAtoms = 23
53: canSmiles: COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3	
53: mol2.NumAtoms = 23
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
53: mol1.NumAtoms = 12
53: canSmiles: OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O	
53: mol2.NumAtoms = 12
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H]2[C@@H]1c3c(O)c(OC)c(O)cc3C(=O)O2
53: mol1.NumAtoms = 23
53: canSmiles: OC[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c2c(O)c(c(c1)O)OC	
53: mol2.NumAtoms = 23
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CC(=O)OCCC(/C)=C\C[C@H](C(C)=C)CCC=C
53: mol1.NumAtoms = 18
53: canSmiles: C=CCC[C@@H](C(=C)C)C/C=C(\CCOC(=O)C)/C	
53: mol2.NumAtoms = 18
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CC[C@H](O1)CC[C@@]12CCCO2
53: mol1.NumAtoms = 11
53: canSmiles: CC[C@H]1CC[C@]2(O1)CCCO2	
53: mol2.NumAtoms = 11
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CN1CCC[C@H]1c2cccnc2
53: mol1.NumAtoms = 12
53: canSmiles: CN1CCC[C@H]1c1cccnc1	
53: mol2.NumAtoms = 12
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: C(CS[14CH2][14C@@H]1[14C@H]([14C@H]([14CH](O1)O)O)O)[C@@H](C(=O)O)N
53: mol1.NumAtoms = 17
53: canSmiles: N[C@H](C(=O)O)CCS[14CH2][14C@H]1O[14CH]([14C@@H]([14C@@H]1O)O)O	
53: mol2.NumAtoms = 17
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)C(C)Cl
53: mol1.NumAtoms = 31
53: canSmiles: CCC[C@H]1CN([C@@H](C1)C(=O)NC([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)OP(=O)(O)O)C(Cl)C)C	
53: mol2.NumAtoms = 31
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CC(C)[C@H]1CC[C@]([C@@H]2[C@@H]1C=C(COC2=O)C(=O)O)(CCl)O
53: mol1.NumAtoms = 21
53: canSmiles: ClC[C@]1(O)CC[C@@H]([C@@H]2[C@@H]1C(=O)OCC(=C2)C(=O)O)C(C)C	
53: mol2.NumAtoms = 21
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2
53: mol1.NumAtoms = 11
53: canSmiles: O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C	
53: mol2.NumAtoms = 11
53: .
53: 
 49/208 Test  #53: test_graphsym_1 ..................   Passed    0.11 sec
test 57
        Start  57: test_graphsym_5
57: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "graphsymtest" "5"
57: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
57: Environment variables: 
57:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
57:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
57: Test timeout computed to be: 1500
57: stereo/razinger_fig7_48.mol
56: 1: 3
56: 2: 3
56: 3: 4
56: 4: 5
56: 5: 5
56: 6: 4
56: 7: 1
56: 8: 1
56: 9: 2
56: 10: 2
56: stereo/razinger_fig7_21.mol
56: 1: 4
56: 2: 6
56: 3: 5
56: 4: 7
56: 5: 5
56: 6: 6
56: 7: 2
56: 8: 3
56: 9: 3
56: 10: 1
56: 11: 1
56: stereo/razinger_fig7_22.mol
56: 1: 2
56: 2: 2
56: 3: 2
56: 4: 2
56: 5: 1
56: 6: 1
56: 7: 1
56: 8: 1
56: stereo/razinger_fig7_23.mol
56: 1: 4
56: 2: 3
56: 3: 4
56: 4: 3
56: 5: 1
56: 6: 2
56: 7: 1
56: 8: 2
56: stereo/razinger_fig7_24.mol
56: 1: 4
56: 2: 3
56: 3: 3
56: 4: 4
56: 5: 2
56: 6: 2
56: 7: 1
56: 8: 1
56: stereo/razinger_fig7_25.mol
56: 1: 2
56: 2: 3
56: 3: 4
56: 4: 2
56: 5: 3
56: 6: 3
56: 7: 4
56: 8: 4
56: 9: 1
56: 10: 4
56: 11: 1
56: 12: 1
56: 13: 2
56: 14: 3
56: 15: 2
56: 16: 1
56: stereo/razinger_fig7_26.mol
56: 1: 4
56: 2: 3
56: 3: 3
56: 4: 4
56: 5: 3
56: 6: 3
56: 7: 1
56: 8: 1
56: 9: 2
56: 10: 2
56: 11: 2
56: 12: 2
56: stereo/razinger_fig7_27.mol
56: 1: 6
56: 2: 4
56: 3: 5
56: 4: 8
56: 5: 5
56: 6: 4
56: 7: 7
56: 8: 2
56: 9: 3
56: 10: 1
56: stereo/razinger_fig7_28.mol
56: 1: 2
56: 2: 3
56: 3: 2
56: 4: 3
56: 5: 2
56: 6: 3
56: 7: 1
56: 8: 1
56: 9: 1
56: stereo/razinger_fig7_29.mol
56: 1: 3
56: 2: 5
56: 3: 4
56: 4: 6
56: 5: 4
56: 6: 5
56: 7: 1
56: 8: 1
56: 9: 2
55: 1: 1
55: 2: 1
55: 3: 1
55: 4: 1
55: 5: 2
55: 6: 2
55: 7: 2
55: 8: 2
55: 9: 3
55: 10: 3
55: 11: 3
55: 12: 3
55: 13: 4
55: 14: 4
55: stereo/razinger_fig7_1.mol
 50/208 Test  #56: test_graphsym_4 ..................   Passed    0.10 sec
test 58
        Start  58: test_gzip_1
58: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "gziptest" "1"
58: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
58: Environment variables: 
58:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
58:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
58: Test timeout computed to be: 1500
55: 1: 1
55: 2: 5
55: 3: 2
55: 4: 4
55: 5: 3
55: stereo/razinger_fig7_2.mol
55: 1: 4
55: 2: 5
55: 3: 7
55: 4: 6
55: 5: 6
55: 6: 7
55: 7: 5
55: 8: 4
55: 9: 3
55: 10: 3
55: 11: 2
55: 12: 2
55: 13: 1
55: 14: 1
55: stereo/razinger_fig7_3.mol
55: 1: 3
55: 2: 5
55: 3: 1
55: 4: 5
55: 5: 6
55: 6: 3
55: 7: 7
55: 8: 7
55: 9: 2
55: 10: 2
55: 11: 4
55: 12: 4
55: stereo/razinger_fig7_4.mol
55: 1: 7
55: 2: 5
55: 3: 6
55: 4: 6
55: 5: 3
55: 6: 4
55: 7: 1
55: 8: 2
55: 9: 4
55: 10: 3
55: stereo/razinger_fig7_5.mol
58: 
58: # Testing gzip handling...  
54: smiles: Cc1cn(c(=O)[nH]c1=O)[C@H]1C[C@@H]([C@H](O1)CNCc1ccccc1)O
55: 1: 4
55: 2: 4
55: 3: 4
54: mol1.NumAtoms = 24
55: 4: 5
55: 5: 3
55: 6: 3
55: 7: 3
55: 8: 1
55: 9: 2
55: 10: 1
55: 11: 2
55: 12: 2
55: 13: 1
55: stereo/razinger_fig7_6.mol
54: canSmiles: O[C@H]1C[C@@H](O[C@@H]1CNCc1ccccc1)n1cc(C)c(=O)[nH]c1=O	
54: mol2.NumAtoms = 24
54: .
54: 
55: 1: 3
55: 2: 4
55: 3: 3
55: 4: 3
55: 5: 3
55: 6: 1
55: 7: 2
55: 8: 1
55: 9: 2
55: 10: 1
55: 11: 2
55: 12: 1
55: 13: 2
55: stereo/razinger_fig7_7.mol
 51/208 Test  #54: test_graphsym_2 ..................   Passed    0.12 sec
test 59
        Start  59: test_addh_1
59: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "addhtest" "1"
59: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
59: Environment variables: 
59:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
59:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
59: Test timeout computed to be: 1500
55: 1: 6
55: 2: 7
55: 3: 5
55: 4: 6
55: 5: 6
55: 6: 1
55: 7: 4
55: 8: 3
55: 9: 2
55: 10: 3
55: 11: 4
55: 12: 3
55: 13: 4
55: stereo/razinger_fig7_8.mol
55: 1: 6
55: 2: 7
55: 3: 5
55: 4: 6
55: 5: 5
55: 6: 1
55: 7: 2
55: 8: 1
55: 9: 2
55: 10: 3
55: 11: 4
55: 12: 3
55: 13: 4
55: stereo/razinger_fig7_9.mol
55: 1: 8
55: 2: 10
55: 3: 9
55: 4: 8
55: 5: 7
55: 6: 5
55: 7: 2
55: 8: 1
55: 9: 6
55: 10: 3
55: 11: 4
55: 12: 3
55: 13: 4
55: stereo/razinger_fig7_10.mol
59: 
59: # Testing addh handling...  
55: 1: 10
55: 2: 13
55: 3: 11
55: 4: 12
55: 5: 9
55: 6: 5
55: 7: 2
55: 8: 1
55: 9: 6
55: 10: 7
55: 11: 8
55: 12: 3
55: 13: 4
55: stereo/razinger_fig7_11.mol
55: 1: 2
55: 2: 8
55: 3: 1
55: 4: 4
55: 5: 3
55: 6: 4
55: 7: 7
55: 8: 5
55: 9: 5
55: 10: 6
55: 11: 3
55: 12: 7
55: 13: 1
55: 14: 2
55: 15: 6
55: 16: 8
55: 17: 9
55: stereo/razinger_fig7_12.mol
55: 1: 6
55: 2: 16
55: 3: 5
55: 4: 4
55: 5: 7
55: 6: 8
55: 7: 13
55: 8: 11
55: 9: 9
55: 10: 12
55: 11: 3
55: 12: 15
55: 13: 1
55: 14: 2
55: 15: 10
55: 16: 14
55: 17: 17
55: stereo/razinger_fig7_13.mol
55: 1: 4
55: 2: 4
55: 3: 3
55: 4: 2
55: 5: 1
55: 6: 3
55: 7: 1
55: 8: 2
55: 9: 3
55: 10: 2
55: 11: 1
55: 12: 3
55: 13: 2
55: 14: 1
55: stereo/razinger_fig7_14.mol
55: 1: 2
55: 2: 3
55: 3: 4
55: 4: 4
55: 5: 3
55: 6: 1
55: 7: 1
55: stereo/razinger_fig7_15.mol
55: 1: 4
55: 2: 3
55: 3: 5
55: 4: 5
55: 5: 3
55: 6: 2
55: 7: 2
55: 8: 1
55: stereo/razinger_fig7_16.mol
55: 1: 2
55: 2: 3
55: 3: 4
55: 4: 4
55: 5: 3
55: 6: 2
55: 7: 1
55: 8: 1
55: stereo/razinger_fig7_17.mol
55: 1: 3
55: 2: 5
55: 3: 4
55: 4: 5
55: 5: 3
55: 6: 2
55: 7: 1
55: 8: 1
55: stereo/razinger_fig7_18.mol
55: 1: 3
55: 2: 2
55: 3: 2
55: 4: 3
55: 5: 2
55: 6: 2
55: 7: 1
55: 8: 1
55: stereo/razinger_fig7_19.mol
55: 1: 3
55: 2: 4
55: 3: 5
55: 4: 6
55: 5: 5
55: 6: 4
55: 7: 1
55: 8: 2
55: 9: 2
 52/208 Test  #40: test_cifspacegroup_11 ............   Passed    0.52 sec
 53/208 Test  #55: test_graphsym_3 ..................   Passed    0.14 sec
test 60
        Start  60: test_implicitH_1
60: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "implicitHtest" "1"
60: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
60: Environment variables: 
60:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
60:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
60: Test timeout computed to be: 1500
test 61
        Start  61: test_lssr_1
61: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "lssrtest" "1"
61: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
61: Environment variables: 
61:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
61:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
61: Test timeout computed to be: 1500
61: Shuffling: aromatics.smi
57: 1: 2
57: 2: 3
57: 3: 3
57: 4: 2
57: 5: 1
57: 6: 1
57: 7: 2
57: 8: 1
57: 9: 1
57: 10: 2
57: stereo/razinger_fig7_49.mol
57: 1: 5
57: 2: 11
57: 3: 10
57: 4: 7
57: 5: 2
57: 6: 3
57: 7: 6
57: 8: 4
57: 9: 9
57: 10: 8
57: 11: 1
57: stereo/razinger_fig7_50.mol
57: 1: 3
57: 2: 5
57: 3: 5
57: 4: 3
57: 5: 1
57: 6: 1
57: 7: 4
57: 8: 2
57: 9: 4
57: stereo/razinger_fig7_51.mol
57: 1: 3
57: 2: 6
57: 3: 7
57: 4: 5
57: 5: 1
57: 6: 2
57: 7: 4
57: 8: 4
57: 9: 6
57: 10: 7
57: 11: 3
57: 12: 2
57: 13: 1
57: 14: 5
57: stereo/razinger_fig7_52.mol
57: 1: 2
57: 2: 4
57: 3: 4
57: 4: 2
57: 5: 1
57: 6: 1
57: 7: 3
57: 8: 4
57: 9: 4
57: 10: 3
57: 11: 2
57: 12: 1
57: 13: 1
57: 14: 2
57: stereo/razinger_fig7_58.mol
57: 1: 3
57: 2: 2
57: 3: 4
57: 4: 4
57: 5: 5
57: 6: 2
57: 7: 3
57: 8: 3
57: 9: 3
57: 10: 1
57: 11: 1
57: stereo/razinger_fig7_59.mol
57: 1: 2
57: 2: 4
57: 3: 2
57: 4: 3
57: 5: 3
57: 6: 2
57: 7: 3
57: 8: 3
57: 9: 2
57: 10: 1
57: 11: 1
57: 12: 1
57: 13: 1
57: stereo/razinger_fig7_60.mol
57: 1: 3
57: 2: 7
57: 3: 4
57: 4: 5
57: 5: 6
57: 6: 4
57: 7: 5
57: 8: 6
57: 9: 3
57: 10: 2
57: 11: 1
57: 12: 2
57: 13: 1
57: stereo/razinger_fig7_64.mol
57: 1: 4
57: 2: 7
57: 3: 6
57: 4: 8
57: 5: 3
57: 6: 2
57: 7: 4
57: 8: 2
57: 9: 3
57: 10: 8
57: 11: 5
57: 12: 5
57: 13: 1
57: 14: 1
57: stereo/razinger_fig7_69.mol
57: 1: 2
57: 2: 2
57: 3: 2
57: 4: 2
57: 5: 2
57: 6: 2
57: 7: 1
57: 8: 1
57: 9: 1
57: 10: 1
57: 11: 1
57: 12: 1
 54/208 Test  #41: test_cifspacegroup_12 ............   Passed    0.51 sec
 55/208 Test  #57: test_graphsym_5 ..................   Passed    0.11 sec
test 62
        Start  62: test_lssr_2
62: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "lssrtest" "2"
62: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
62: Environment variables: 
62:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
62:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
62: Test timeout computed to be: 1500
test 63
        Start  63: test_lssr_3
63: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "lssrtest" "3"
63: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
63: Environment variables: 
63:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
63:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
63: Test timeout computed to be: 1500
62: Shuffling: nci.smi
63: Shuffling: attype.00.smi
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/3o8g_uff.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/10gs_vww.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/12gs_0hh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/13gs_sas.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/19gs_bsp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a2n_tet.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a42_bzu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a4l_dcf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a4m_prh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a4q_dpc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a4r_gnh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a5h_bba.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a5v_y3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a6v_npc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a6w_nip.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a72_pad.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a7a_adc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a7x_fka.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a82_dnn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a85_0dy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a86_0zb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a8t_061.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a96_xan.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a97_5gp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aax_bpm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ab8_fok.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ac4_tmt.sdf
60: Mol#0, Title 2707, Original atoms vs New atoms: 10 vs 10
60: 
60: Mol#1, Title 167, Original atoms vs New atoms: 16 vs 16
60: 
60: Mol#2, Title 281, Original atoms vs New atoms: 2 vs 2
60: 
60: Mol#3, Title 1419, Original atoms vs New atoms: 54 vs 54
60: 
60: Mol#4, Title 1600, Original atoms vs New atoms: 37 vs 37
60: 
60: Mol#5, Title 5081, Original atoms vs New atoms: 38 vs 38
60: 
60: Mol#6, Title 5726, Original atoms vs New atoms: 32 vs 32
60: 
60: Mol#7, Title 9107, Original atoms vs New atoms: 36 vs 36
60: 
60: Mol#8, Title 9550, Original atoms vs New atoms: 5 vs 5
60: 
60: Mol#9, Title 9863, Original atoms vs New atoms: 2 vs 2
60: 
60: Mol#10, Title 14768, Original atoms vs New atoms: 6 vs 6
60: 
60: Mol#11, Title 14857, Original atoms vs New atoms: 18 vs 18
60: 
60: Mol#12, Title 14858, Original atoms vs New atoms: 19 vs 19
60: 
60: Mol#13, Title 19914, Original atoms vs New atoms: 15 vs 15
60: 
60: Mol#14, Title 20438, Original atoms vs New atoms: 19 vs 19
60: 
60: Mol#15, Title 20939, Original atoms vs New atoms: 12 vs 12
60: 
60: Mol#16, Title 20940, Original atoms vs New atoms: 20 vs 20
60: 
60: Mol#17, Title 21316, Original atoms vs New atoms: 19 vs 19
60: 
60: Mol#18, Title 21317, Original atoms vs New atoms: 13 vs 13
60: 
60: Mol#19, Title 21318, Original atoms vs New atoms: 17 vs 17
60: 
60: Mol#20, Title 21857, Original atoms vs New atoms: 15 vs 15
60: 
60: Mol#21, Title 23356, Original atoms vs New atoms: 22 vs 22
60: 
60: Mol#22, Title 23699, Original atoms vs New atoms: 22 vs 22
60: 
60: Mol#23, Title 24261, Original atoms vs New atoms: 3 vs 3
60: 
60: Mol#24, Title 24530, Original atoms vs New atoms: 4 vs 4
60: 
60: Mol#25, Title 24771, Original atoms vs New atoms: 10 vs 10
60: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ac8_tmz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aco_tra.sdf
 56/208 Test  #60: test_implicitH_1 .................   Passed    0.10 sec
test 64
        Start  64: test_lssr_4
64: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "lssrtest" "4"
64: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
64: Environment variables: 
64:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
64:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
64: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ad4_hh2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1adb_cnd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1add_1da.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1adg_sad.sdf
64: Shuffling: rings/tetrahedron.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ady_ham.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aeb_3mt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aed_dti.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aef_3ap.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aeg_4ap.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aeh_24t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aej_nvi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aek_idm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aem_mpi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aen_25t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aeo_2ap.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aeq_2ez.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aer_tia.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aeu_2mz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aev_amt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1afc_scr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1afl_atr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1afq_0fg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1agw_su2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ah0_sbi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ai3_ndo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ai4_dhy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ai5_mnp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aj2_2ph.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ajn_aan.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ajp_omd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ajq_spa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ajv_nmb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ajx_ah1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1akc_ppe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1al7_hst.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1al8_dhp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aln_ctd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1alw_isa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ami_mic.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1amr_mae.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1an9_be2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aob_ddu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aod_ins.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aoe_gw3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aqx_gtd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1arh_ppd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1asc_npl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1asl_pla.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1at1_pct.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1atl_0qi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ax9_edr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ayp_inb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1az1_alr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1az8_in4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1azm_azm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b3d_s27.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b42_m1a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b48_hag.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b57_pgh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b5q_md2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b7y_fya.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b8n_img.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b8o_imh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b8y_in7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b99_fup.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b9i_pxg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b9s_fdi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b9t_rai.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1b9v_ra2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bb6_umg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bb7_gum.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bg9_af1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bgg_gco.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bil_0iu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bim_0qb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1biw_s80.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bju_gp6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bjv_gp8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bk0_acv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bkc_inn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bke_b3i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bkm_1c5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bky_1mc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bl4_ap1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bma_0qh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bn3_al6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bnm_al8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bnn_al1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bnt_al2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1boz_prd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bq4_bhc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bqi_sba.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bqm_hby.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bqo_n25.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1br5_neo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1br6_pt1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bs1_daa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bs4_2pe.sdf
64: Shuffling: rings/cubane.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bsj_mln.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bso_brc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bug_urs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bv7_xv6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bvr_tht.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bwf_atf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bx4_adn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bx6_ba1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bxm_erg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bxo_pp7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bxq_pp8.sdf
64: Shuffling: rings/cubane2.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bye_ata.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bzc_tpi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bzj_pic.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bzl_gcg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bzm_mzm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bzs_bsi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1bzy_imu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c0t_bm1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c0u_bm5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c1b_gca.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c1c_612.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c1h_mmp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c1x_hfa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c22_mf3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c23_mph.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c24_mpj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c29_he1.sdf
64: Shuffling: rings/octahedron.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c2t_nhs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c3e_nhr.sdf
 57/208 Test  #61: test_lssr_1 ......................   Passed    0.24 sec
test 65
        Start  65: test_lssr_5
65: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "lssrtest" "5"
65: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
65: Environment variables: 
65:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
65:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
65: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c3q_tze.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c50_chi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c5y_esp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c5z_bam.sdf
65: Verify LSSR: rings/tetrahedron.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c72_epy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c81_fdq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c83_oai.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c84_761.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c85_oba.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c86_opa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c88_ota.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c8l_bin.sdf
64: Shuffling: rings/bridged1.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c8t_tr1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c97_ict.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c9d_hf1.sdf
64: Shuffling: rings/fullerene20.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c9e_mp1.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 2 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 11 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 32 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1c9y_nva.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ca7_eno.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1caq_dps.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cbq_re9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cci_dmi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ceb_amh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cel_ibz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cet_clq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cg4_imo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cgk_nar.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cgl_0ed.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ch8_gpx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1chw_hxc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cj1_c78.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cjb_irp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cjf_hom.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cjk_tat.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cjp_mug.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ck6_sha.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cml_mlc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cnw_eg1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cny_eg3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1com_pre.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cp4_bnz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cp6_bub.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cps_cpm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cq1_pqq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cq6_py4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cq7_py5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cq8_py6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cqp_803.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cr6_cpu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cs4_101.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ctt_dhz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ctu_zeb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cul_103.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cul_3po.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cw2_hsp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cwu_tdb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cx2_s58.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cx9_nhp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1cxv_cbp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1czm_aas.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d0m_blg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d0x_mnq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d0y_onp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d0z_pnq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d1a_dae.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d1b_daq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d1c_nmq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d1v_ptu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d1w_atq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d1x_4bt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d1y_3bt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d3g_bre.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d3h_a26.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d4h_beh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d5j_mm3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d6n_ppo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d6w_00r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d7i_dss.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d7j_buq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d7v_nma.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d7x_spc.sdf
65: Verify LSSR: rings/cubane.mdl
65: Verify LSSR: rings/cubane2.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d8f_spi.sdf
65: Verify LSSR: rings/octahedron.mdl
65: Verify LSSR: rings/bridged1.mdl
65: Verify LSSR: rings/fullerene20.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d8m_bbh.sdf
65: Verify LSSR: rings/fullerene60.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1d9i_00p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dae_ikt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dag_dsd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dak_dpu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dao_fab.sdf
64: Shuffling: rings/fullerene60.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1db4_8in.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1db5_6in.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dcy_i3n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dd6_mci.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dd7_1pm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ddo_itr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ddx_pgx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1de5_rnt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1de6_rns.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ded_qps.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dfi_nad.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dg7_wrb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dgp_foh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dia_l24.sdf
 58/208 Test  #65: test_lssr_5 ......................   Passed    0.12 sec
test 66
        Start  66: test_isomorphism_1
66: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "isomorphismtest" "1"
66: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
66: Environment variables: 
66:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
66:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
66: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dib_l34.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1did_dig.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dig_l37.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dil_eqp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dj9_kam.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1djw_cip.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1djy_i2p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1djz_ip2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dkf_bms.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dl7_nch.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dm6_ph3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dmb_bcd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dmj_ap4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dmj_itu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dmk_ap6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dmp_dmq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dod_dob.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1doh_nid.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dp2_lpb.sdf
 59/208 Test  #58: test_gzip_1 ......................   Passed    0.43 sec
test 67
        Start  67: test_isomorphism_2
67: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "isomorphismtest" "2"
67: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
67: Environment variables: 
67:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
67:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
67: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dpf_gdp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dpm_ebp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dqa_mah.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dqo_asg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1drt_pcv.sdf
67: testIsomorphism2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dtl_bep.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dtq_fpt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dtt_ftc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1duv_psq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dvj_up6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dvu_dbf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dvy_bpd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dvz_ofl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dwv_4ab.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dww_h2b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dwx_har.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dx4_760.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dxo_dqn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dy3_87y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dy4_snp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dyh_dzf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dzj_ses.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dzk_prz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dzm_bzm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1dzp_bzq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e00_dhm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e02_una.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e06_ipb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e1f_psg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e26_gpb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e2i_aps.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e2i_arp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e2k_tmc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e2m_hpt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e2n_rca.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e2p_ccv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e3q_ebw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e56_hbo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e66_hux.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e6x_lgc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e6z_ngo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e70_g2f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e7a_pfl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e7b_hlt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e8g_fcr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e8m_p0h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e8v_dan.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e90_myc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e92_hbi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e98_atm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1e9a_z5a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1eb2_bpo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ebm_8og.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ebu_hse.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ebu_nda.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ebv_scl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ec8_glr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ec9_xyh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ecc_pcp.sdf
 60/208 Test  #66: test_isomorphism_1 ...............   Passed    0.09 sec
test 68
        Start  68: test_isomorphism_3
68: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "isomorphismtest" "3"
68: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
68: Environment variables: 
68:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
68:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
68: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ecq_dxg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ecv_878.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ed6_ilo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1eei_gaa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1eet_bfu.sdf
68: testIsomorphism3
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ef3_fid.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1efi_gat.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1efy_bzc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1egy_9ap.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1eh4_ic1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ejn_agb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ek1_ciu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ek2_cdu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ek8_dem.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1eko_i84.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1el4_ctz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ela_0z1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1elb_0z4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1elc_0z3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1eld_0z0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ele_0qn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1els_pah.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1enu_apz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1eoc_4nc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1eos_u2g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ep4_s11.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ep9_cp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1eqc_cts.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1equ_eqi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1erb_etr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1est_tsu.sdf
67: 1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1etr_mit.sdf
 61/208 Test  #67: test_isomorphism_2 ...............   Passed    0.09 sec
test 69
        Start  69: test_isomorphism_4
69: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "isomorphismtest" "4"
69: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
69: Environment variables: 
69:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
69:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
69: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ets_mid.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ev9_gts.sdf
69: testIsomorphism4
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1eve_e20.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1evi_2pc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ew8_pae.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ew9_mmq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ex8_a4p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1exa_394.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1exi_118.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1exx_961.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1eyw_ten.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ez2_dii.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ezf_in0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1f06_2np.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1f0r_815.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1f0s_pr2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1f0t_pr1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1f0u_rpr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1f3b_gbx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1f3e_dpz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1f3f_d4t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1f4e_tpr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1f4f_tp3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1f4g_tp4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1f57_dcy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1f6t_tbd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1f73_hmn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1f74_nay.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1f8d_9am.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1f8e_49a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1f92_ukp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1f9o_pih.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fax_dx9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fb7_roc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fbg_ahm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fbh_afp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fbz_cc1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fcx_184.sdf
68: 2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fcy_564.sdf
 62/208 Test  #68: test_isomorphism_3 ...............   Passed    0.09 sec
test 70
        Start  70: test_isomorphism_5
70: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "isomorphismtest" "5"
70: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
70: Environment variables: 
70:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
70:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
70: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fcz_156.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fd0_254.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fd7_ai1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fdk_gle.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fe2_lax.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fel_fen.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fen_aze.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fgh_ath.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fgi_su1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fhv_osb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fhw_i5p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fi1_rif.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fkd_818.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fkg_sb3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fkh_sbx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fki_sb1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fm6_9cr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fm8_ddc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fmb_hyb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fmc_cho.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fo3_kif.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1foj_7i2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1foj_7ni.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fp2_hmo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fpb_fdp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fpi_ahg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fpu_prc.sdf
69: 2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1frb_zst.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fsg_9dg.sdf
 63/208 Test  #69: test_isomorphism_4 ...............   Passed    0.09 sec
test 71
        Start  71: test_isomorphism_6
71: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "isomorphismtest" "6"
71: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
71: Environment variables: 
71:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
71:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
71: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fsg_prp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ft4_703.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ft7_plu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ftl_dnq.sdf
71: testAutomorphismMask
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ftx_epc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fup_pma.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fuy_fip.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fv9_172.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fvv_107.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1fxu_gu7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1g0n_phh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1g0o_pyq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1g27_bb1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1g2k_nm1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1g36_r11.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1g3m_pcq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1g49_111.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1g4j_ffb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1g4k_hqq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1g4p_fqp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1g4t_ftp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1g5s_i17.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1g67_icp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1g67_tzp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1g7f_inz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1g7g_inx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1g85_3ol.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1g9a_bab.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1g9s_imp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gag_112.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gai_gac.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gar_u89.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gcz_yz9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gfy_col.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gg5_e09.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ggd_faf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gi5_123.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gi6_124.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gi7_120.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gi8_bmz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gij_2pu.sdf
70: 3
70: 1
70: 2
70: 1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gil_gsp.sdf
 64/208 Test  #70: test_isomorphism_5 ...............   Passed    0.09 sec
test 72
        Start  72: test_isomorphism_7
72: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "isomorphismtest" "7"
72: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
72: Environment variables: 
72:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
72:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
72: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1giu_ade.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gj9_134.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gjc_130.sdf
72: testAutomorphismMask2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gka_axt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gkl_fer.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1glj_ats.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gm8_sox.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gnp_agn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gnq_cag.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gpk_hup.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gpn_hub.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gpu_thd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gqg_dcd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gqh_koj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gqs_saf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1grq_clk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1grr_clc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gs4_zk5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gs5_nlg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gss_lee.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gsz_r71.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gt1_3om.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gt1_anc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gt8_uaa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gtb_pzq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1guh_gsb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gvc_nta.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gw1_nin.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gw9_lxc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gwx_433.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gx2_bho.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gxz_brt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gyk_cdg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gym_myg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gyq_nbd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gzf_nir.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gzm_lda.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gzp_gm2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gzq_pii.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gzq_twt.sdf
71: 4
71: 8
71: 0 1 2 3 4 5 9 8 7 10 11 12 13 
71: 0 1 2 3 4 5 9 8 13 12 11 10 7 
71: 4 3 2 1 0 5 9 8 7 10 11 12 13 
71: 4 3 2 1 0 5 9 8 13 12 11 10 7 
71: 10 7 8 13 12 11 9 2 1 0 5 4 3 
71: 10 7 8 13 12 11 9 2 3 4 5 0 1 
71: 12 13 8 7 10 11 9 2 1 0 5 4 3 
71: 12 13 8 7 10 11 9 2 3 4 5 0 1 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1gzr_c15.sdf
 65/208 Test  #71: test_isomorphism_6 ...............   Passed    0.10 sec
test 73
        Start  73: test_isomorphism_8
73: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "isomorphismtest" "8"
73: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
73: Environment variables: 
73:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
73:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
73: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1h0s_fa6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1h1d_bia.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1h1m_kmp.sdf
73: testAutomorphismPreMapping
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1h22_e10.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1h23_e12.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1h2j_dcb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1h35_r01.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1h36_r88.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1h37_r02.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1h39_r03.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1h3a_r04.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1h3b_r46.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1h3c_r79.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1h4q_pri.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1h66_rh1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1h69_arh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1h7x_urf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1h82_gzz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1h8d_phw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1h8l_gem.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1h9u_lg2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1h9z_rwf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hak_k21.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hb1_ocv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hb2_scv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hbv_gan.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hdq_inf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1he3_mbv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hee_lhy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hf6_ctr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hfc_plh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hfp_mot.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hfs_l04.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hg4_lpp.sdf
 66/208 Test  #72: test_isomorphism_7 ...............   Passed    0.10 sec
test 74
        Start  74: test_isomorphism_9
74: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "isomorphismtest" "9"
74: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
74: Environment variables: 
74:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
74:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
74: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hge_mna.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hgi_ana.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hgj_amn.sdf
74: testIsomorphism9
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hii_c20.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hiy_3an.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hj1_aoe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hkd_gyp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hkn_n2m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hld_brb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hlk_113.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hmr_ela.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hna_gdn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hni_aaa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hnn_skf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hnv_tbo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ho4_pxp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hpo_uni.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hpv_478.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hpz_aap.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hqg_orn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hrn_03d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ht5_fl2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ht8_34c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hte_g23.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1htf_g26.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hti_pga.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hu0_oxg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hu9_4hm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hug_auc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1huo_tte.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hvh_q82.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hvr_xk2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hw8_114.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hwi_115.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hwj_116.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hwk_117.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hwl_fbi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hwr_216.sdf
73: 2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hx9_fhp.sdf
 67/208 Test  #73: test_isomorphism_8 ...............   Passed    0.09 sec
test 75
        Start  75: test_multicml_1
75: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "multicmltest" "1"
75: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
75: Environment variables: 
75:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
75:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
75: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hxk_dmj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hy7_mbs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1hyo_hbu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i2z_654.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i30_826.sdf
75: 
75: # Testing handling of multi-molecule cml files...  
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i32_nmd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i33_tnd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i5r_hyc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i6k_tym.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i7c_mgb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i7e_ibs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i7g_az2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i7m_cg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i80_9hx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i80_imr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i83_ntu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i8z_inl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i91_inq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i9o_ioc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i9p_ioe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i9q_iof.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i9z_2ip.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ia1_tq3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ia2_tq4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iay_avg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ida_0po.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1idb_0do.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ie8_kh1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iei_zes.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1if2_129.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1if7_sbr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1if9_sbb.sdf
 68/208 Test  #74: test_isomorphism_9 ...............   Passed    0.09 sec
test 76
        Start  76: test_periodic_1
76: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "periodictest" "1"
76: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
76: Environment variables: 
76:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
76:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
76: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1igb_ipo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ijr_cc0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ik3_13s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ikg_rex.sdf
 69/208 Test  #76: test_periodic_1 ..................   Passed    0.00 sec
test 77
        Start  77: test_periodic_2
77: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "periodictest" "2"
77: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
77: Environment variables: 
77:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
77:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
77: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iki_dal.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iki_rey.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ikv_efz.sdf
 70/208 Test  #77: test_periodic_2 ..................   Passed    0.00 sec
test 78
        Start  78: test_periodic_3
78: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "periodictest" "3"
78: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
78: Environment variables: 
78:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
78:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
78: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ikx_pnu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iky_msd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1il5_ddp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1il9_mog.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1imb_lip.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1inf_st4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ing_st5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1inh_st6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1inw_axp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iop_he6.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 2 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 4 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iov_pob.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iqh_xmf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iqi_xmg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iqk_xmi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iql_xmj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iqm_xmk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ish_enp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1isi_enq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ism_nca.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iss_mcg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1it6_cyu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1itu_cil.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iut_pab.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ivc_st2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ivd_st1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ive_st3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ivp_1zk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ivq_0px.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ivr_cba.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iwh_pem.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ix1_bb2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ixn_dxp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iy7_cxa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iyl_r64.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j01_xil.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j07_dcu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j0n_ceg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j14_ben.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j17_zen.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j1a_bhp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j20_as1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j2y_dqa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j3i_wra.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j4h_sub.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j4i_tst.sdf
 71/208 Test  #75: test_multicml_1 ..................   Passed    0.10 sec
test 79
        Start  79: test_periodic_4
79: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "periodictest" "4"
79: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
79: Environment variables: 
79:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
79:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
79: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j4r_001.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j51_tcz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j6z_rho.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j78_vdy.sdf
 72/208 Test  #79: test_periodic_4 ..................   Passed    0.00 sec
test 80
        Start  80: test_regressions_222
80: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "regressionstest" "222"
80: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
80: Environment variables: 
80:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
80:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
80: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j7e_jy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j91_tbs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jao_0d3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jaq_01s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jbw_acq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jbw_tmf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jcm_137.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jcq_739.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jcs_fii.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jct_gkr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jcx_pai.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jdj_cfp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jdt_mta.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jdz_fmb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1je1_gmp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jep_dfl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jf2_czh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jg0_ddt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jgt_cma.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jh1_jst.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jha_aam.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jhm_5mb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jho_rmb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jhp_5ob.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jhq_pmo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jhr_p2p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jhu_pcr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jii_383.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jij_629.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jik_545.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jil_485.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jin_ktn.sdf
 73/208 Test  #78: test_periodic_3 ..................   Passed    0.09 sec
test 81
        Start  81: test_regressions_223
81: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "regressionstest" "223"
81: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
81: Environment variables: 
81:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
81:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
81: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jiz_cgs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jj9_bbt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jjb_pe7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jjc_fa5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jje_bys.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jjt_bds.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jk7_oka.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jki_dg6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jkx_138.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jld_0pp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jlg_uc1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jlq_sbn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jn2_sfp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jn4_139.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jnq_egt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jp3_egc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jqd_hsm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jqe_qun.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jqy_a32.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jr0_a24.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jr4_cl4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jsz_ndm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jut_lyd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jv4_tzl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jvi_rhc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jvu_c2p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jvz_cen.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jwt_bli.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jx1_dfv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jx6_ai2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1jzs_mrc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k0u_dea.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k0y_cno.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k1i_fd1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k1j_fd2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k1l_fd3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k1m_fd4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k1o_ign.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k1p_mel.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k2o_rfa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k3t_brz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k3u_iad.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k4g_aiq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k4h_apq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k5s_gro.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k70_hpy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k74_544.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k7e_iag.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k7f_iav.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k90_3at.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k9s_fm1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1k9s_fm2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kak_fnp.sdf
 74/208 Test  #80: test_regressions_222 .............   Passed    0.11 sec
test 82
        Start  82: test_regressions_224
82: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "regressionstest" "224"
82: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
82: Environment variables: 
82:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
82:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
82: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kav_fep.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kbo_340.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kbq_936.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kc7_ppr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kdk_dht.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ke6_ls2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ke7_ls3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ke8_ls4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kek_htl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kgj_fl8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kgt_pml.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1khf_pep.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ki3_pe2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ki4_btd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ki6_ahu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ki7_id2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ki8_bvd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kkf_dpo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kkq_471.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1klk_pmd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1klm_spp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kmh_ttx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kmn_hso.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kms_lih.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kmv_lii.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1knu_ypa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kpe_adw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kpg_16a.sdf
 75/208 Test  #81: test_regressions_223 .............   Passed    0.10 sec
test 83
        Start  83: test_rotor_1
83: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "rotortest" "1"
83: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
83: Environment variables: 
83:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
83:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
83: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kph_10a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kq0_med.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kqo_dnd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kqu_br4.sdf
 76/208 Test  #83: test_rotor_1 .....................   Passed    0.00 sec
test 84
        Start  84: test_rotor_2
84: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "rotortest" "2"
84: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
84: Environment variables: 
84:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
84:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
84: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kru_ipt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ksn_fxv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ksw_nbs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kvl_cls.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kvl_thn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kvo_oap.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kw1_lg6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kww_mfu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kwx_mfb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ky5_ady.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kyn_ktp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kyw_hfl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kyx_crm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kyy_ini.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kz8_pfe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1kzn_cbn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l2j_etc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l2s_stc.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4e_rbz.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4g_ncn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4h_ind.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4k_34a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4l_xyd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4m_2ac.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l4n_2af.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l5k_1rb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l5l_7rp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l5m_7ra.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l5m_nio.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l5o_2mp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l5r_mrd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l6f_pp3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l6g_pdd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l8g_dbd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1l9w_dhs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lbt_t80.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lbx_ipd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lc8_33p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lca_ump.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lcb_tmp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lcw_shm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ld7_u66.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ld8_u49.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ldc_fmn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lde_fpi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ldo_snr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ldy_cxf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lee_r36.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lel_bh7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lev_cli.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lf2_r37.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lf3_eh5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lgt_bp3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lhn_aon.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lhw_esm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1li4_noc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lij_rpp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ljr_gsh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ljt_hdi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lk7_der.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lkd_bp6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lod_mur.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lol_xmp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lpk_cbb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lpp_hds.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lpz_cmb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lqd_cmi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lr8_ihs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lt8_cbh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lv0_ger.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lvk_mnt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lvu_9pp.sdf
 77/208 Test  #82: test_regressions_224 .............   Passed    0.12 sec
test 85
        Start  85: test_rotor_3
85: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "rotortest" "3"
85: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
85: Environment variables: 
85:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
85:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
85: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lw2_u05.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lwv_ang.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lww_brg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lwx_azd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lx6_zam.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lxc_aym.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ly3_cog.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ly4_coq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m0n_hcp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m0o_mpm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m0p_elp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m13_hyf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m1o_caa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m2p_hna.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m2q_mnx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m2r_mny.sdf
 78/208 Test  #84: test_rotor_2 .....................   Passed    0.10 sec
test 86
        Start  86: test_rotor_4
86: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "rotortest" "4"
86: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
86: Environment variables: 
86:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
86:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
86: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m48_frg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m49_cmm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m51_tsx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m52_p17.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m5b_bn1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m5c_brh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m5e_am1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m66_bcp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m67_boa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m6w_12h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m78_clz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m79_mq1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m7a_mqu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m7q_dqo.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m8d_clw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m8i_5ni.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m9b_ibg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1m9t_ine.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1map_ket.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1maq_pgu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mau_ltn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mbb_eeb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mbx_ybt.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 6 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mbz_iot.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mc1_pcx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1md2_233.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mdr_apg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1me6_ivs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1me7_rvp.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mg0_dfb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mk5_btn.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mmb_bat.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mmp_rss.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mmq_rrs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mmr_srs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mn7_abt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mn9_rtp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mo9_kpc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mog_rbf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mos_agp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mq5_xlc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mq6_xld.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mqd_shi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mqg_iwd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mqh_bwd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mqj_hwd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mrk_fmc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mrs_5hu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mts_bx3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mv9_hxa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mvn_pco.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mvt_dtm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mx5_htq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mxc_abp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mzc_bne.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mzn_bm6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mzs_669.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n0t_at1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n0u_so1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n1e_nde.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n1h_ch1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n1m_a3m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n20_3ag.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n22_7a8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n23_2bn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n24_bp2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n2b_apc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n2i_paj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n2j_paf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n2v_bdi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n38_u3h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n46_pfa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n4g_pyz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n4p_grg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n4q_mgm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n5j_tyd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n5m_gmn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n5r_prm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n5x_tei.sdf
 79/208 Test  #85: test_rotor_3 .....................   Passed    0.11 sec
test 87
        Start  87: test_shuffle_1
87: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "shuffletest" "1"
87: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
87: Environment variables: 
87:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
87:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
87: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n69_peh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n6b_dmz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n7i_ly1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n7j_idi.sdf
87:  True Shuffling: COc1cc2c(cc1O)CN1C[C@@H]2c2cc(OC)c(cc2C1)O
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n95_fth.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n9a_fti.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1n9a_hfp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nax_ih5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nb6_utp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nbe_mlt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nc1_mth.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nco_chr.sdf
 80/208 Test  #86: test_rotor_4 .....................   Passed    0.11 sec
test 88
        Start  88: test_shuffle_2
88: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "shuffletest" "2"
88: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
88: Environment variables: 
88:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
88:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
88: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ncr_w11.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nd5_2bf.sdf
88:  True Shuffling: Br.CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccccc1SC(=O)CCCCn1ccccc1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nde_mon.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ndv_fr0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ndw_fr2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ndy_fr3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ndz_fr5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nfq_aoi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nfu_rrp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nfw_rrr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nfx_rdr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nfy_rtr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nh3_car.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nht_hda.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nht_pgs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nhu_153.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nhv_154.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nhx_ftb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ni1_2c5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nis_ntc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nj5_p5a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nje_dcm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nl4_ftl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nl9_989.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nm6_l86.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nmk_sfm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nmq_160.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nms_161.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nmu_mtt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nmx_fdm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nmz_nym.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nn3_2dt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nnk_ce2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1no6_794.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1now_ifg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1npv_l27.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nq7_arl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nqa_g3h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nqv_lmz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nqw_5yl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nqx_rlp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nrl_srl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nsg_rad.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nt1_t76.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nup_nmn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nuq_nxx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nvs_ucm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nwg_bgn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nwl_964.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nx8_n7p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nxy_sm2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nym_cxb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nyx_drf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1nz7_901.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o07_mxg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o08_g16.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o0o_a2p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o1s_1nh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o1t_2nh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o2h_cr3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o2j_656.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o2l_762.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o2o_950.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o2p_972.sdf
88: ==============================
88: *** Open Babel Warning  in ParseSmiles
88:   Failed to kekulize aromatic SMILES
88: 
88: ref = O=C(Sc1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C)CCCCN1[CH]C=CC=C1.Br
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o2q_991.sdf
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o2t_783.sdf
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o2u_847.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o2z_312.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o30_693.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o35_802.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o36_607.sdf
88: ==================== end doRoundtrip =========================
87: ref = COc1cc2c(cc1O)CN1C[C@@H]2c2cc(OC)c(cc2C1)O
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o37_653.sdf
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o39_780.sdf
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o3e_696.sdf
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o3h_907.sdf
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o3j_334.sdf
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o3l_678.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o3m_785.sdf
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o3p_655.sdf
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Br.CC(=O)Nc1cccc(c1)S(=O)(=O)c1cccc(NC(=O)c2ccccc2SC(=O)CCCCn2ccccc2)c1
88: ==============================
88: *** Open Babel Warning  in ParseSmiles
88:   Failed to kekulize aromatic SMILES
88: 
88: ref = CC(=O)Nc1cccc(c1)S(=O)(=O)c1cccc(c1)NC(=O)c1ccccc1SC(=O)CCCCN1[CH]C=CC=C1.Br
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o42_843.sdf
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o44_852.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o46_903.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o47_822.sdf
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o48_853.sdf
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o49_493.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: C(C1C=CCCC1)(C(=O)N/N=C/c1ccc(cc1)C#N)C(=O)N/N=C\c1ccc(cc1)C#N
87: ref = N#Cc1ccc(cc1)/C=N/NC(=O)C(C1CCCC=C1)C(=O)N/N=C\c1ccc(cc1)C#N
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Br.COc1ccc(cc1)Cn1cccc(O)c1
88: ==============================
88: *** Open Babel Warning  in ParseSmiles
88:   Failed to kekulize aromatic SMILES
88: 
88: ref = COc1ccc(cc1)CN1[CH]C=CC(=C1)O.Br
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o4b_876.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o4f_790.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o4g_i59.sdf
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Br.COc1ccc2c(c1)[C@]13CCCC[C@@H]3[C@H](N(C)CC1)[C@@]12CC1
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ref = COc1ccc2c(c1)[C@]13CCCC[C@@H]3[C@@H](C32CC3)N(CC1)C.Br
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o4h_772.sdf
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o4j_is2.sdf
88: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o4o_hps.sdf
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o4p_791.sdf
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o4q_256.sdf
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o4r_787.sdf
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o5b_esi.sdf
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o5c_cr9.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o5e_132.sdf
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: C(C1C=CCCC1)(C(=O)N/N=C\c1ccc(cc1)C#N)C(=O)N/N=C/c1ccc(cc1)C#N
87: ref = N#Cc1ccc(cc1)/C=N/NC(=O)C(C1CCCC=C1)C(=O)N/N=C\c1ccc(cc1)C#N
88: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o5m_336.sdf
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o5r_fr9.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o6f_sin.sdf
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Br.NCCCCNCCCC[C@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
88: ref = NCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o6h_w37.sdf
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o6i_0hz.sdf
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o6k_mn.sdf
88: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o6q_r17.sdf
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o6r_r19.sdf
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o79_r23.sdf
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o7a_gdl.sdf
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o7g_npy.sdf
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o7p_ndh.sdf
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o86_lpr.sdf
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Br.NCCCCNCCCC[C@@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o9u_adz.sdf
87: ==================== end doRoundtrip =========================
87:  True Shuffling: CC(=O)O.N=C\1/C=C/C(=C(/c2ccc(N)cc2)\c2ccc(N)c(C)c2)/C=C1
88: ref = NCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
87: ref = N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1.CC(=O)O
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1o9v_sng.sdf
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1oad_mqd.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1oar_azn.sdf
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1oax_anq.sdf
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1oay_fur.sdf
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ob2_kir.sdf
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ocb_flg.sdf
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Br.NCCCNCCCCNCCCC[C@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
87: ==================== end doRoundtrip =========================
87:  True Shuffling: CCNc1ccc(cc1)/C(=C/1\C=C/C(=N)/C=C1)/c1ccc(N(CC)CC)c(C)c1
88: ref = NCCCNCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
87: ref = CCNc1ccc(cc1)/C(=C/1\C=CC(=N)C=C1)/c1ccc(c(c1)C)N(CC)CC
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1od7_suw.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1od9_bnd.sdf
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1oda_bdu.sdf
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1odc_a8b.sdf
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1odm_asv.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1odn_apv.sdf
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
 81/208 Test  #63: test_lssr_3 ......................   Passed    1.42 sec
test 89
        Start  89: test_shuffle_3
89: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "shuffletest" "3"
89: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
89: Environment variables: 
89:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
89:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
89: Test timeout computed to be: 1500
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1odw_0e8.sdf
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Br.NCCCNCCCCNCCCC[C@@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
87: ==================== end doRoundtrip =========================
87:  True Shuffling: C[C@H]1CCCCN1/C=C/1\C(=O)O[C@@](C)(CC)OC1=O
89:  True Shuffling: O[C@H]1CC[C@@H](O)CC1
88: ref = NCCCNCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
87: ref = CC[C@]1(C)OC(=O)/C(=C\N2CCCC[C@@H]2C)/C(=O)O1
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1oec_aa2.sdf
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1of1_sct.sdf
87: ==================== end doRoundtrip =========================
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87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
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87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
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87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1og1_tad.sdf
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1og5_swf.sdf
87: ==================== start doRoundtrip =========================
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88: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ogu_st8.sdf
87: ==================== end doRoundtrip =========================
87:  True Shuffling: N=C\1/C=C/C(=C(\c2ccc(N)cc2)/c2ccc(N)c(C)c2)/C=C1
88: ==================== end doRoundtrip =========================
87: ref = N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ohk_cop.sdf
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ohp_esr.sdf
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Br.NCCCNCCCCNCCCNCCCC[C@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ref = NCCCNCCCCNCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ohs_5sd.sdf
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1oik_c26.sdf
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1oim_noj.sdf
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1oir_hdy.sdf
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1oit_hdt.sdf
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: N=C\1/C=C/C(=N\Cc2ccc(N)cc2)/C=C1
87: ref = N=C1C=C/C(=N/Cc2ccc(cc2)N)/C=C1
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1oiu_n76.sdf
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1oiy_n41.sdf
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1oiz_trt.sdf
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ojr_2ha.sdf
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
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87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: [O+]#C[Fe+]1234(C#[O+])(/C=C/CCC/C=C/[Fe+]5678(C#[O+])(C#[O+])[C@H]9C7=C6C5=C89)[C@H]5C3=C2C1=C45.F[B-](F)(F)F
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1okc_cxt.sdf
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Br.NCCCNCCCCNCCCNCCCC[C@@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
87: ref = F[B-](F)(F)F.[O+]#C[Fe+]1234(C#[O+])(/C=C/CCC/C=C/[Fe+]5678(C#[O+])(C#[O+])C9C7=C6C5=C89)C5C3=C2C1=C45
88: ref = NCCCNCCCCNCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1okz_ucn.sdf
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1olm_vtq.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1olx_tdp.sdf
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1om1_iqa.sdf
88: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1onq_slf.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ony_588.sdf
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1onz_968.sdf
88: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1oo6_sn2.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1oon_bel.sdf
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1opb_ret.sdf
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1opm_iyg.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Br.NCCCNCCCC[C@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ork_atc.sdf
88: ref = NCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1os0_0pq.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1os5_nh1.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1osh_fex.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1osv_chc.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ot3_thm.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ot7_iu5.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1oty_6mp.sdf
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Br.NCCCNCCCC[C@@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ou6_168.sdf
87: ==================== start doRoundtrip =========================
88: ref = NCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1oum_tal.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ouy_094.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ov6_dbm.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ove_358.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ovg_mdr.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
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88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
89: ref = O[C@@H]1CC[C@@H](CC1)O
89: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1owd_497.sdf
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
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89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
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87: ==================== start doRoundtrip =========================
89: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1owi_426.sdf
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1owj_155.sdf
89: ==================== end doRoundtrip =========================
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89: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1owk_303.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1oxl_ida.sdf
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
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89: ==================== start doRoundtrip =========================
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88:  True Shuffling: CC(=O)O.Oc1nc(N)c2nc3c(nc2n1)c1cccc2cccc3c12.OS(=O)(=O)O
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87: ==================== end doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: O[C@H]1C[C@@H](O)C[C@H](O)C1
89: ref = O[C@@H]1C[C@H](O)C[C@H](C1)O
88: ==================== start doRoundtrip =========================
89: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1oxr_ain.sdf
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1oyf_mhn.sdf
88: ==================== end doRoundtrip =========================
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89: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1oyo_3id.sdf
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
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89: ==================== start doRoundtrip =========================
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89: ==================== start doRoundtrip =========================
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89: ==================== start doRoundtrip =========================
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89: ==================== start doRoundtrip =========================
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89: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1oz0_ms1.sdf
89: ==================== end doRoundtrip =========================
89:  True Shuffling: O[C@H]1C[C@@H](O)C[C@@H](O)C1
89: ref = O[C@@H]1C[C@H](O)C[C@@H](C1)O
89: ==================== start doRoundtrip =========================
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89: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ozg_he3.sdf
89: ==================== start doRoundtrip =========================
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89: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1p0e_prf.sdf
87: ==================== end doRoundtrip =========================
87:  True Shuffling: [O+]#C[Fe+]1234(C#[O+])(/C=C/CCCC/C=C/[Fe+]5678(C#[O+])(C#[O+])C9=C6C7=C5[C@@H]89)C5=C3C2=C1[C@H]45.F[B-](F)(F)F
88: ==================== start doRoundtrip =========================
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89: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1p0i_bua.sdf
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
89: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1p1r_nmh.sdf
89: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
87: ref = F[B-](F)(F)F.[O+]#C[Fe+]1234(C#[O+])(/C=C/CCCC/C=C/[Fe+]5678(C#[O+])(C#[O+])C9C7=C6C5=C89)C5C3=C2C1=C45
89: ==================== start doRoundtrip =========================
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89: ==================== start doRoundtrip =========================
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89: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1p44_geq.sdf
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
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87: ==================== start doRoundtrip =========================
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89:  True Shuffling: [C@@H]1([C@H]([C@H]([C@H]1C)C)C)C
89: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1p4f_drg.sdf
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89: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1p4r_354.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1p6m_dp3.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pgn_nbp.sdf
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89: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@@H]([C@H]1C)C)C
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pwu_gm6.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: c1csc(c1)c1nnc(o1)C12C[C@@H]3C[C@@H](C[C@@H](C3)C2)C1
87: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1py2_frh.sdf
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ref = c1csc(c1)c1nnc(o1)C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: [14cH]1[14cH]cc[14cH][14cH]1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1py5_py1.sdf
87: ref = [14cH]1[14cH][14cH]cc[14cH]1
87: ==================== start doRoundtrip =========================
89: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pye_pm1.sdf
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/inositol_allo.mol
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
89: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@H]([C@H]1C)C)C
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pyn_941.sdf
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: [14cH]1[14cH]c[14cH][14cH][14cH]1
87: ref = [14cH]1[14cH][14cH]c[14cH][14cH]1
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pzi_1dm.sdf
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/inositol_myo.mol
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pzj_15b.sdf
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
89: ref = C[C@@H]1[C@H](C)[C@H](C)[C@H]([C@@H]([C@H]1C)C)C
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pzj_j15.sdf
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pzk_j12.sdf
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: [14cH]1[14cH][14cH][14cH][14cH][14cH]1
88: ==================== end doRoundtrip =========================
87: ref = [14cH]1[14cH][14cH][14cH][14cH][14cH]1
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pzo_cbt.sdf
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1pzp_fta.sdf
89: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
89: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
89:  True Shuffling: stereo/inositol_muco.mol
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q0r_akt.sdf
88: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
89: ref = C[C@@H]1[C@H](C)[C@@H](C)[C@@H]([C@@H]([C@H]1C)C)C
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: stereo/error2.smi
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q0z_aka.sdf
88: ==================== end doRoundtrip =========================
88:  True Shuffling: CC(=O)OC12[C@@H]3CCC[C@@H]1CCC[C@@H]2CCC3
87: ref = N#CC1[C@H]([C@@H]1C#N)C#N.N#CC1[C@H]([C@@H]1C#N)C#N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q11_tye.sdf
89: ==================== start doRoundtrip =========================
88: ref = CC(=O)OC12[C@@H]3CCC[C@@H]2CCC[C@H]1CCC3
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/inositol_neo.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q1m_234.sdf
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
89: ref = C[C@@H]1[C@H](C)[C@H](C)[C@H]([C@H]([C@H]1C)C)C
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ref = O=C(c1ccncn1)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q20_plo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q22_and.sdf
88: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q2q_wy2.sdf
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/inositol_scyllo.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q36_skp.sdf
89: ref = C[C@@H]1[C@@H](C)[C@H](C)[C@H]([C@@H]([C@H]1C)C)C
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q3w_atu.sdf
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q4g_bfl.sdf
87: ==================== end doRoundtrip =========================
87: ref = Clc1cc(nc(n1)Cl)O[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q4l_679.sdf
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q4w_dqu.sdf
88: ==================== start doRoundtrip =========================
89: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q54_bhi.sdf
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/inositol_chiroD.mol
88: ==================== end doRoundtrip =========================
89: ref = C[C@@H]1[C@H](C)[C@@H](C)[C@H]([C@@H]([C@H]1C)C)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q5d_epb.sdf
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ref = OC(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]([C@H]1c1ccccc1)C(=O)O
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
89: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q5h_dud.sdf
89: ==================== end doRoundtrip =========================
89:  True Shuffling: stereo/inositol_chiroL.mol
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q5k_tmu.sdf
89: ref = C[C@@H]1[C@H](C)[C@@H](C)[C@@H]([C@H]([C@H]1C)C)C
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q65_bhb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q66_kmb.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
89: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q6j_335.sdf
87: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89:  True Shuffling: O[C@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q6k_tco.sdf
89: ref = O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@H]([C@H]1O)O)O
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
87: ref = OC(=O)[C@]12[C@@H]3CC[C@H]([C@]2(C(=O)O)[C@@H]2O[C@H]1CC2)O3
88: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q6m_p27.sdf
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: CC(=O)OC12[C@@H]3CCC[C@@H]1CCC[C@@H]2CCC3
88: ref = CC(=O)OC12[C@@H]3CCC[C@@H]2CCC[C@H]1CCC3
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q6n_p90.sdf
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
89: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ref = Nc1nc(S)nc(c1)C(=O)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3
89: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q6p_213.sdf
88: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q6q_lxp.sdf
89: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q6r_lx1.sdf
89: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
89: ==================== end doRoundtrip =========================
89: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
89: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q6s_214.sdf
88: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
 82/208 Test  #89: test_shuffle_3 ...................   Passed    0.23 sec
test 90
        Start  90: test_shuffle_4
90: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "shuffletest" "4"
90: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
90: Environment variables: 
90:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
90:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
90: Test timeout computed to be: 1500
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ref = O1[C@@H]2[C@@H]1[C@@H]1O[C@H]1[C@H]1[C@H]([C@@H]3[C@H]2O3)O1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q7a_opb.sdf
90:  True Shuffling: stereo/razinger_fig7_19_spec1.mol
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q7g_nho.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q91_dpb.sdf
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q92_drm.sdf
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1q9d_oi1.sdf
88: ==================== end doRoundtrip =========================
87: ref = C1=C[C@H]2[C@@H]1[C@]1(N=N[C@]2(Cc2ccccc2)[C@@H]2[C@H]1C=C2)Cc1ccccc1
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qax_hmg.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qb1_974.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qb6_623.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qb9_806.sdf
88: ==================== end doRoundtrip =========================
88:  True Shuffling: C/C(=N/c1ccncc1)/C(=N/c1ccncc1)/C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qbn_688.sdf
88: ref = C/C(=N/c1ccncc1)/C(=N/c1ccncc1)/C
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qbo_711.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qbt_146.sdf
87: ref = c1ccc2c(c1)O[Cu@]13[N+](=C2)CCC[O+]1[Cu@]12[O+]3CCC[N+]2=Cc2c(O1)cccc2
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qbu_846.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qca_fua.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qcf_pp1.sdf
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qco_aae.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qcw_fns.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: CC(=CCN[C@]12C[C@@H]3C[C@@H](C[C@@H](C3)C2)C1)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qf0_ti2.sdf
88: ref = CC(=CCN[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3)C
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qf2_ti3.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qf4_rpd.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ref = CN1C[C@@H]2CN(C[C@H](C1)[C@@]2(O)c1ccccc1)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qf5_rpl.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qgl_ejt.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qh5_gbp.sdf
88: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ref = C1CCC2N(C1)[C@@H]1CCCCN1[C@@H]1N2CCCC1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qhc_pua.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qhi_bpg.sdf
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qin_gip.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qip_gnb.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: Brc1ccc(nc1)NC(=S)N[C@]12C[C@@H]3C[C@H](C[C@@H](C3)C2)C1
88: ref = S=C(N[C@]12C[C@@H]3C[C@@H](C2)C[C@@H](C1)C3)Nc1ccc(cn1)Br
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ref = CN1[C@@H]2CC(=O)C[C@H]1[C@H]1C[C@@H]2C1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qiq_acc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qiz_rco.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qje_ip1.sdf
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qjf_acs.sdf
88: ==================== start doRoundtrip =========================
87: ref = CCCCCCCCCCCCCCCCCCSC[C@]12[C@H](COS(=O)(=O)O)[C@@H](COS(=O)(=O)O)[C@H](c3c1cccc3)c1c2cccc1.[NaH]
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qjq_pfc.sdf
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qju_w01.sdf
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qjx_w02.sdf
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qjy_w03.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qkc_alb.sdf
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qkm_gen.sdf
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qkn_ral.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qll_tda.sdf
88: ==================== end doRoundtrip =========================
88:  True Shuffling: c1ccc2c(c1)[C@H]1[C@@H]3O[C@@H]3[C@@H]2c2ccccc12
87: ==================== end doRoundtrip =========================
87: ==============================
87: *** Open Babel Warning  in ParseSmiles
87:   Failed to kekulize aromatic SMILES
87: 
88: ref = O1[C@@H]2[C@H]1[C@@H]1c3c([C@H]2c2c1cccc2)cccc3
87: ref = O=C(c1cc(ccc1O)S(=O)(=O)O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc(ccc1O)S(=O)(=O)O.CN1[CH]C=CC=C1.[NaH].Cl
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qmq_lrb.sdf
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qon_i40.sdf
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qpb_pym.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qpf_858.sdf
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: F[Po@SP1](Cl)(Br)I
87: ref = F[Po@SP1](I)(Br)Cl
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qpl_587.sdf
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qs4_100.sdf
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: F[Po@SP2](Br)(Cl)I
87: ref = F[Po@SP1](I)(Br)Cl
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qss_dg3.sdf
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87:  True Shuffling: F[Po@SP3](Cl)(I)Br
87: ref = F[Po@SP1](I)(Br)Cl
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qtq_qsi.sdf
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
87: ==================== start doRoundtrip =========================
87: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: C(C/N=C\c1ccccc1)/N=C/c1ccccc1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qv6_24b.sdf
88: ref = N(=C\c1ccccc1)\CC/N=C/c1ccccc1
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
 83/208 Test  #87: test_shuffle_1 ...................   Passed    0.54 sec
test 91
        Start  91: test_shuffle_5
91: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "shuffletest" "5"
91: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
91: Environment variables: 
91:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
91:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
91: Test timeout computed to be: 1500
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
90: ref = C[C@@H]1[C@@H](C)CCC[C@H]1C
90: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qvn_fri.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qvu_prl.sdf
88: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_19_spec2.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qw4_3ar.sdf
88: ==================== end doRoundtrip =========================
90: ref = C[C@@H]1[C@@H](C)CCC[C@@H]1C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qw5_14w.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qw8_kho.sdf
88: ==================== start doRoundtrip =========================
90: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_19_spec3.mol
91:  True Shuffling: stereo/canon1.mol
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qw9_khp.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
90: ref = C[C@@H]1[C@@H](C)CCC[C@@H]1C
90: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_19_spec4.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qx1_fmf.sdf
88: ==================== end doRoundtrip =========================
90: ref = C[C@@H]1[C@H](C)CCC[C@H]1C
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qxk_429.sdf
90: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: O=C(CCCC(=O)N/N=C(/C)\c1ccccc1)N/N=C(\C)/c1ccccc1
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_19_spec5.mol
88: ref = O=C(N/N=C(\c1ccccc1)/C)CCCC(=O)N/N=C(/c1ccccc1)\C
90: ref = C[C@@H]1[C@H](C)CCC[C@H]1C
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qxl_fr8.sdf
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qxs_s70.sdf
90: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_20_spec1.mol
90: ref = C[C@H]1[C@H](C)CC[C@@H]([C@@H]1C)C
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qxw_m1c.sdf
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qxy_m2c.sdf
88: ==================== end doRoundtrip =========================
90: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qxz_m3c.sdf
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_26_spec1.mol
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qy2_ipz.sdf
90: ref = C[C@@H]1[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)C
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
90: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qy4_6pg.sdf
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_59_spec1.mol
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qy8_rdi.sdf
90: ref = C[C@@H]1C[C@]2(C[C@H]1C)C[C@H]([C@H](C2)C)C
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qye_cdy.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
90: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_30.mol
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
90: ref = C/C=C/C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qz5_kab.sdf
90: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_34.mol
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
90: ref = C/C=C/C(/C=C/C)C
88: ==================== end doRoundtrip =========================
88:  True Shuffling: C/C(=N/c1ccccc1)/C(=N/c1ccccc1)/C
88: ref = C/C(=N/c1ccccc1)/C(=N/c1ccccc1)/C
90: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_35.mol
88: ==================== start doRoundtrip =========================
90: ref = C/C=C/C=C/C
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
90: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_36.mol
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
90: ref = CC(/C=C/C(O)C)O
90: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_37.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qz6_jas.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
90: ref = CCC(C(/C=C/C(C(CC)CC)C)C)CC
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qzr_cdx.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1qzy_tde.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r0e_dfn.sdf
90: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_38.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r1h_bir.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r1i_ti1.sdf
90: ref = CC(/C(=C(\C(F)C)/C(F)C)/C(F)C)F
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r1j_oir.sdf
88: ==================== end doRoundtrip =========================
88:  True Shuffling: OC[C@H](O)COP1(=O)O[Pt@]2(N[C@H]3CCCC[C@@H]3N2)O1
88: ref = OC[C@@H](COP1(=O)O[Pt@]2(O1)N[C@@H]1[C@@H](N2)CCCC1)O
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r1k_p1a.sdf
90: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r1o_sdc.sdf
90: ==================== end doRoundtrip =========================
90:  True Shuffling: stereo/razinger_fig7_39.mol
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r20_hwg.sdf
90: ref = CC(C(=C=C(C(F)C)C(F)C)C(F)C)F
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r31_mev.sdf
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r33_lka.sdf
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r34_lks.sdf
88: ==================== end doRoundtrip =========================
90: ==================== start doRoundtrip =========================
88: ==================== start doRoundtrip =========================
90: ==================== end doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
 84/208 Test  #90: test_shuffle_4 ...................   Passed    0.13 sec
test 92
        Start  92: test_smiles_1
92: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "smilestest" "1"
92: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
92: Environment variables: 
92:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
92:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
92: Test timeout computed to be: 1500
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r35_i58.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r3j_dga.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r3v_1cp.sdf
92: testTetrahedralStereo1()
88: ==================== end doRoundtrip =========================
88:  True Shuffling: n1ccc(cc1)C12C[C@H]3C[C@H](C[C@H](C3)C2)C1
88: ref = C1[C@@H]2C[C@@H]3C[C@H]1CC(C2)(C3)c1ccncc1
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r3y_cp3.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r4l_xx5.sdf
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r58_ao5.sdf
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r5g_ao1.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r5h_ao2.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r5k_gw5.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r6g_442.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r6n_434.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r78_fmd.sdf
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r81_ud2.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1r8e_p4p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ra0_fpy.sdf
88: ==================== end doRoundtrip =========================
88:  True Shuffling: C12=C3C4=C5[C@H]1[Fe]16782345C2=C6C7=C1C82
88: ref = C12C3=C4[Fe]5678923(C1=C45)C1C6=C8C9=C71
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rbo_cap.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rbq_keu.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rbz_kt5.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rc1_kt3.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rcj_ma4.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rco_xdp.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rcv_bv1.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: CC(=O)O.Oc1nc2nc3c(nc2c(N)n1)c1cccc2cccc3c12
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rd4_l08.sdf
88: ref = Oc1nc2nc3-c4cccc5c4c(-c3nc2c(n1)N)ccc5.CC(=O)O
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rd9_bv2.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rdp_bv3.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rdt_570.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rdt_l79.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1re8_bd2.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rej_b1l.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rek_b8l.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rev_tb9.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rf2_bv4.sdf
88: ==================== end doRoundtrip =========================
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rf4_spq.sdf
88: ==================== end doRoundtrip =========================
88:  True Shuffling: stereo/incorrect_canon1.mol
88: ref = CC1CCC2(CC1)CCCCC2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rf9_dbr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rfn_pbz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rg1_ots.sdf
88: ==================== start doRoundtrip =========================
88: ==================== end doRoundtrip =========================
88:  True Shuffling: stereo/incorrect_canon2.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rgb_eld.sdf
88: ref = C1CCC2C(C1)CC1(C2)CCC1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rhj_pzn.sdf
88: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rhm_na4.sdf
88: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rhq_0zz.sdf
 85/208 Test  #88: test_shuffle_2 ...................   Passed    0.62 sec
test 93
        Start  93: test_smiles_2
93: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "smilestest" "2"
93: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
93: Environment variables: 
93:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
93:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
93: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rjk_vdz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rkg_vd1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rkh_vd2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rm0_d6p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rne_c60.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ro9_8br.sdf
93: Testing generic smiles <-> canonical smiles
 86/208 Test  #64: test_lssr_4 ......................   Passed    1.78 sec
test 94
        Start  94: test_smiles_3
94: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "smilestest" "3"
94: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
94: Environment variables: 
94:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
94:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
94: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ros_deo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rpg_cpa.sdf
94: Testing generic smiles <-> canonical smiles
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rpw_did.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rqd_gc7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rr8_ttc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rr8_ttg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rry_204.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rs2_209.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rs4_45p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rs8_dp2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rs9_d7p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rsd_psb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rsi_977.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rt1_mkc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rt2_tnk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rt5_uc2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rt6_uc3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rt7_uc4.sdf
91: ref = C[C@H](C[C@H](O)C)C[C@@H](O)C	canon1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rti_hef.sdf
91: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rv1_imz.sdf
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon2.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rw8_580.sdf
91: ref = C[C@@H](C[C@@H](O)C)C[C@@H](O)C	canon2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rwq_5ap.sdf
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon3.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rxo_rub.sdf
91: ref = C[C@@H]1CC[C@H](CC1)C	canon3
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ry0_pg2.sdf
91: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ry8_rut.sdf
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon4.mol
91: ref = C[C@@H]1CC[C@@H](CC1)C	canon4
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1rzy_5as.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s0m_bap.sdf
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon5.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s0z_eb1.sdf
91: ref = C[C@@H]1CC[C@]2(CC1)CC[C@@H](CC2)C	canon5
92: smiles: C[C@H](O)N
92: OBTetrahedralStereo(center = 1, viewFrom = 0, refs = H 3 2 , clockwise)
92: 
92: Testing generic smiles <-> canonical smiles
92: smiles: C[C@H](O)N
92: mol.NumAtoms = 4
92: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
92: canSmiles: C[C@H](O)N	
92: mol.NumAtoms = 4
92: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
92: .
92: 
92: Testing generic smiles <-> canonical smiles
92: smiles: Cl[C@@](CCl)(I)Br
92: mol.NumAtoms = 6
92: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 6, refs = 2 4 5 , clockwise)
92: canSmiles: ClC[C@](I)(Br)Cl	
92: mol.NumAtoms = 6
92: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 4 6 5 , clockwise)
92: .
92: 
92: Testing generic smiles <-> canonical smiles
92: smiles: Cl/C=C/F
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s13_2fh.sdf
92: mol.NumAtoms = 4
92: Config with symmetry ids: OBCisTransStereo::Config(begin = 3, end = 2, refs = 4 H 1 H , shape = U)
92: canSmiles: F/C=C/Cl	
92: mol.NumAtoms = 4
92: Config with symmetry ids: OBCisTransStereo::Config(begin = 2, end = 3, refs = 1 H 4 H , shape = U)
92: .
92: 
 87/208 Test  #92: test_smiles_1 ....................   Passed    0.10 sec
test 95
        Start  95: test_spectrophore_1
95: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "spectrophoretest" "1"
95: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
95: Environment variables: 
95:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
95:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
95: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s14_nov.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s17_gnr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s19_mc9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s1j_iqz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s1s_wac.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s22_ula.sdf
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon6.mol
91: ref = C[C@@H]1C[C@H](O)C[C@@H](C1)O	canon6
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon7.mol
91: ref = C[C@@H]1C[C@@H](O)C[C@@H](C1)O	canon7
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon8.mol
91: ref = C[C@]12CCCC[C@]2(C)CCCC1	canon8
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s2c_flf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s38_maq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s39_aqo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s3v_tqd.sdf
91: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s3w_tqt.sdf
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon9.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s5z_son.sdf
91: ref = C[C@@H]([C@@H]1CC[C@H](CC1)C)[C@@H]1CC[C@@H](CC1)C	canon9
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s64_778.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s6h_4bz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s6p_iet.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s6q_tpb.sdf
91: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s83_4ha.sdf
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon10.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s8c_bla.sdf
91: ref = C[C@@H]1[C@@H]([C@@H]1C)C	canon10
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s9d_afb.sdf
91: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s9e_adb.sdf
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon11.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s9f_ddy.sdf
91: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C	canon11
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s9g_abz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s9i_5ea.sdf
91: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s9j_bbm.sdf
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon12.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1s9p_des.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sa5_bmv.sdf
91: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]([C@@H]1C)C)C	canon12
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sc7_m38.sdf
91: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sc8_2in.sdf
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon13.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1scq_cnh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sd3_sym.sdf
91: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@@H]([C@@H]1C)C)C	canon13
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ses_ahx.sdf
93: smiles: F[Po@SP1](Cl)(Br)I
93: mol.NumAtoms = 5
93: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 5 4 3 , shape = U)
93: canSmiles: F[Po@SP1](I)(Br)Cl	
93: mol.NumAtoms = 5
93: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 3 4 5 , shape = U)
93: .
93: 
93: Testing generic smiles <-> canonical smiles
93: smiles: F[Po@SP2](Br)(Cl)I
93: mol.NumAtoms = 5
93: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 5 4 3 , shape = U)
93: canSmiles: F[Po@SP1](I)(Br)Cl	
93: mol.NumAtoms = 5
93: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 3 4 5 , shape = U)
93: .
93: 
93: Testing generic smiles <-> canonical smiles
93: smiles: F[Po@SP3](Cl)(I)Br
93: mol.NumAtoms = 5
93: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 5 4 3 , shape = U)
93: canSmiles: F[Po@SP1](I)(Br)Cl	
93: mol.NumAtoms = 5
93: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 3 4 5 , shape = U)
93: .
93: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1seu_sa3.sdf
 88/208 Test  #93: test_smiles_2 ....................   Passed    0.09 sec
test 96
        Start  96: test_spectrophore_2
96: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "spectrophoretest" "2"
96: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
96: Environment variables: 
96:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
96:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
96: Test timeout computed to be: 1500
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon14.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sff_ik2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1siv_psi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sj0_e4d.sdf
91: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1O)O	canon14
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1skj_ur2.sdf
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon15.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1skx_rfp.sdf
91: ref = C[C@@H]1[C@H](O)[C@@H]([C@@H]1O)C	canon15
91: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sl3_170.sdf
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon16.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1so3_tx4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1soo_h5p.sdf
94: smiles: CCC[C@@H](O)CC\C=C\C=C\C#CC#C\C=C\CO
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sp4_ep2.sdf
94: mol.NumAtoms = 19
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 6 5 , clockwise)
94: Config with symmetry ids: OBCisTransStereo::Config(begin = 8, end = 9, refs = 7 H 10 H , shape = U)
94: Config with symmetry ids: OBCisTransStereo::Config(begin = 10, end = 11, refs = 9 H 12 H , shape = U)
94: Config with symmetry ids: OBCisTransStereo::Config(begin = 16, end = 17, refs = 15 H 18 H , shape = U)
94: canSmiles: CCC[C@H](CC/C=C/C=C/C#CC#C/C=C/CO)O	
94: mol.NumAtoms = 19
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 6 5 , clockwise)
94: Config with symmetry ids: OBCisTransStereo::Config(begin = 8, end = 9, refs = 7 H 10 H , shape = U)
94: Config with symmetry ids: OBCisTransStereo::Config(begin = 10, end = 11, refs = 9 H 12 H , shape = U)
94: Config with symmetry ids: OBCisTransStereo::Config(begin = 16, end = 17, refs = 15 H 18 H , shape = U)
94: .
94: 
94: Testing generic smiles <-> canonical smiles
94: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
94: mol.NumAtoms = 12
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sqa_ui1.sdf
94: canSmiles: OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O	
94: mol.NumAtoms = 12
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
94: .
94: 
94: Testing generic smiles <-> canonical smiles
94: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H]2[C@@H]1c3c(O)c(OC)c(O)cc3C(=O)O2
94: mol.NumAtoms = 23
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
94: canSmiles: OC[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c2c(O)c(c(c1)O)OC	
94: mol.NumAtoms = 23
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
94: .
94: 
94: Testing generic smiles <-> canonical smiles
94: smiles: CC(=O)OCCC(/C)=C\C[C@H](C(C)=C)CCC=C
94: mol.NumAtoms = 18
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 7, refs = H 4 6 , clockwise)
94: Config with symmetry ids: OBCisTransStereo::Config(begin = 11, end = 10, refs = 13 12 7 H , shape = U)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sqo_ui2.sdf
94: canSmiles: C=CCC[C@@H](C(=C)C)C/C=C(\CCOC(=O)C)/C	
94: mol.NumAtoms = 18
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 4, refs = H 6 7 , clockwise)
94: Config with symmetry ids: OBCisTransStereo::Config(begin = 10, end = 11, refs = 7 H 13 12 , shape = U)
94: .
94: 
94: Testing generic smiles <-> canonical smiles
94: smiles: CC[C@H](O1)CC[C@@]12CCCO2
94: mol.NumAtoms = 11
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 5 9 8 , clockwise)
94: canSmiles: CC[C@H]1CC[C@]2(O1)CCCO2	
94: mol.NumAtoms = 11
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 9 8 5 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 9 8 5 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 5 9 8 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
94: .
94: 
94: Testing generic smiles <-> canonical smiles
94: smiles: CN1CCC[C@H]1c2cccnc2
94: mol.NumAtoms = 12
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 6, refs = H 7 2 , clockwise)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sqt_ui3.sdf
94: canSmiles: CN1CCC[C@H]1c1cccnc1	
94: mol.NumAtoms = 12
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 6, refs = H 7 2 , clockwise)
94: .
94: 
94: Testing generic smiles <-> canonical smiles
94: smiles: CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2
94: mol.NumAtoms = 11
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 9, refs = 7 3 8 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 8, refs = H 5 4 , clockwise)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sre_hab.sdf
94: canSmiles: O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C	
94: mol.NumAtoms = 11
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = 8 9 7 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 5, refs = H 4 8 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = 8 9 7 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 7, viewFrom = 5, refs = H 4 8 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 9, refs = 7 3 8 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 9, refs = 7 3 8 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 7, viewFrom = 5, refs = H 4 8 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 7, viewFrom = 8, refs = H 5 4 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 7, viewFrom = 8, refs = H 5 4 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = 8 9 7 , clockwise)
94: .
94: 
94: Testing generic smiles <-> canonical smiles
94: smiles: CC(C)[C@H]1CC[C@]([C@@H]2[C@@H]1C=C(COC2=O)C(=O)O)(CCl)O
94: mol.NumAtoms = 21
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
94: canSmiles: ClC[C@]1(O)CC[C@@H]([C@@H]2[C@@H]1C(=O)OCC(=C2)C(=O)O)C(C)C	
94: mol.NumAtoms = 21
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
94: .
94: 
94: Testing generic smiles <-> canonical smiles
94: smiles: C(CS[14CH2][14C@@H]1[14C@H]([14C@H]([14CH](O1)O)O)O)[C@@H](C(=O)O)N
94: mol.NumAtoms = 17
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1srf_mtb.sdf
94: canSmiles: N[C@H](C(=O)O)CCS[14CH2][14C@H]1O[14CH]([14C@@H]([14C@@H]1O)O)O	
94: mol.NumAtoms = 17
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
94: .
94: 
94: Testing generic smiles <-> canonical smiles
94: smiles: CCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)C(C)Cl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1srg_mhb.sdf
94: mol.NumAtoms = 31
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
91: ref = C[C@@H]1C[C@H](C1)C[C@](C[C@@H]1C[C@@H](C1)C)(C[C@@H]1CC[C@H](CC1)C)C[C@@H]1CC[C@@H](CC1)C	canon16
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sri_dmb.sdf
94: canSmiles: CCC[C@H]1CN([C@@H](C1)C(=O)NC([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)OP(=O)(O)O)C(Cl)C)C	
94: mol.NumAtoms = 31
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
94: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
94: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
94: .
94: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1srj_nab.sdf
 89/208 Test  #96: test_spectrophore_2 ..............   Passed    0.02 sec
test 97
        Start  97: test_spectrophore_3
97: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "spectrophoretest" "3"
97: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
97: Environment variables: 
97:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
97:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
97: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sto_omp.sdf
 90/208 Test  #94: test_smiles_3 ....................   Passed    0.10 sec
test 98
        Start  98: test_spectrophore_4
98: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "spectrophoretest" "4"
98: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
98: Environment variables: 
98:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
98:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
98: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1suq_185.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sv5_65b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sv9_dif.sdf
91: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sve_i01.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1svg_i04.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1svh_i08.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sxg_171.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1syh_cpw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1sze_173.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1szm_bi4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1szo_cax.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1t1r_imb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1t1s_cbq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1t24_oxq.sdf
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon17.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1t25_gag.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1t26_gbd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1t32_ohh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1t41_id5.sdf
 91/208 Test  #97: test_spectrophore_3 ..............   Passed    0.02 sec
test 99
        Start  99: test_spectrophore_5
99: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "spectrophoretest" "5"
99: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
99: Environment variables: 
99:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
99:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
99: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1t4e_diz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1t4p_2bh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1t4r_ahi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1t4t_dir.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1t5f_dhh.sdf
91: ref = C[C@@H]1CC[C@H](CC1)C1CC[C@H](CC1)C[C@H](C[C@@H]1CC[C@@H](CC1)[C@@H]1CC[C@H](CC1)C)C[C@@H]1CC[C@@H](CC1)[C@@H]1CC[C@@H](CC1)C	canon17
 92/208 Test  #98: test_spectrophore_4 ..............   Passed    0.03 sec
test 100
        Start 100: test_squareplanar_1
100: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "squareplanartest" "1"
100: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
100: Environment variables: 
100:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
100:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
100: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1t5p_1fh.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 1 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 3 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1t64_tsn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1t7k_bh0.sdf
100: end
 93/208 Test #100: test_squareplanar_1 ..............   Passed    0.00 sec
test 101
        Start 101: test_squareplanar_2
101: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "squareplanartest" "2"
101: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
101: Environment variables: 
101:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
101:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
101: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1t8i_ehd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1t93_flv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1t9b_1cs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1t9c_1sm.sdf
101: end
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1t9w_nfn.sdf
 94/208 Test #101: test_squareplanar_2 ..............   Passed    0.00 sec
test 102
        Start 102: test_squareplanar_3
102: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "squareplanartest" "3"
102: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
102: Environment variables: 
102:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
102:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
102: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ta2_176.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ta6_177.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tcw_im1.sdf
102: This error can be ignored
102: ==============================
102: *** Open Babel Error  in SetConfig
102:   OBSquarePlanarStereo::SetConfig : found 0 reference ids, should be 4.
102: end
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tdg_tbe.sdf
 95/208 Test #102: test_squareplanar_3 ..............   Passed    0.00 sec
test 103
        Start 103: test_squareplanar_4
103: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "squareplanartest" "4"
103: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
103: Environment variables: 
103:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
103:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
103: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tez_hdf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tfj_dka.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tfz_869.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tg5_645.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tgv_5ud.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tgy_r1p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tha_t33.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1thc_fl9.sdf
 96/208 Test  #99: test_spectrophore_5 ..............   Passed    0.02 sec
test 104
        Start 104: test_squareplanar_5
104: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "squareplanartest" "5"
104: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
104: Environment variables: 
104:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
104:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
104: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1thl_0db.sdf
103: end
 97/208 Test #103: test_squareplanar_4 ..............   Passed    0.01 sec
test 105
        Start 105: test_stereo_1
105: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "stereotest" "1"
105: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
105: Environment variables: 
105:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
105:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
105: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1thz_326.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tip_f6p.sdf
104: end
 98/208 Test #104: test_squareplanar_5 ..............   Passed    0.01 sec
test 106
        Start 106: test_stereo_2
106: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "stereotest" "2"
106: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
106: Environment variables: 
106:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
106:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
106: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tjj_lpe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tjj_pfs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tjp_hpf.sdf
 99/208 Test #106: test_stereo_2 ....................   Passed    0.00 sec
test 107
        Start 107: test_stereo_3
107: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "stereotest" "3"
107: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
107: Environment variables: 
107:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
107:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
107: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tka_n3t.sdf
100/208 Test #105: test_stereo_1 ....................   Passed    0.01 sec
test 108
        Start 108: test_stereo_4
108: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "stereotest" "4"
108: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
108: Environment variables: 
108:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
108:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
108: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tkb_n1t.sdf
101/208 Test #107: test_stereo_3 ....................   Passed    0.00 sec
test 109
        Start 109: test_stereo_5
109: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "stereotest" "5"
109: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
109: Environment variables: 
109:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
109:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
109: Test timeout computed to be: 1500
91: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tkc_m6t.sdf
102/208 Test #108: test_stereo_4 ....................   Passed    0.00 sec
test 110
        Start 110: test_stereo_6
110: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "stereotest" "6"
110: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
110: Environment variables: 
110:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
110:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
110: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tkd_d3t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tkt_h12.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tkx_gwb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tkz_h16.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tl1_h18.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tl3_h20.sdf
103/208 Test #109: test_stereo_5 ....................   Passed    0.01 sec
test 111
        Start 111: test_stereoperception_1
111: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "stereoperceptiontest" "1"
111: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
111: Environment variables: 
111:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
111:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
111: Test timeout computed to be: 1500
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon18.mol
91: ref = CC[C@@](C[C@@H]1C[C@H](C1)C)(C[C@@H]1C[C@@H](C1)C)C	canon18
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon19.mol
91: ref = CC[C@](C[C@@H]1CC[C@H](CC1)C)(C[C@@H]1CC[C@@H](CC1)C)C	canon19
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon19.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tl8_ai3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tlc_dgp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tlc_f89.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tmn_0zn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1to9_hmh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tou_b1v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tow_crz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tqs_sso.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tqt_ssd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tqu_gha.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tqv_sse.sdf
91: ref = CC[C@](C[C@@H]1CC[C@H](CC1)C)(C[C@@H]1CC[C@@H](CC1)C)C	canon19
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tqw_blt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tsl_a15.sdf
91: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tsm_mr2.sdf
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon20.mol
91: ref = C[C@H](C[C@](C[C@H](Cl)C)(C[C@@H](Cl)C)C[C@@H](O)C)O	canon20
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tv6_cp9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tve_178.sdf
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon21.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tvo_frz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tvv_cb3.sdf
91: ref = O[C@H](C[C@](C[C@H](C[C@H](O)C)O)(C[C@@H](C[C@H](O)C)O)C[C@@H](C[C@@H](O)C)O)C[C@@H](O)C	canon21
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tw3_ert.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1twn_ver.sdf
91: ==================== start doRoundtrip =========================
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 1 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 3 N
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon22.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1txi_tx5.sdf
91: ref = C[C@@H]1[C@@H]([C@@H]1C)C	canon22
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1tzc_pa5.sdf
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon23.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u0h_onm.sdf
91: ref = C[C@@H]1[C@H]([C@@H]1C)C	canon23
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u0y_pa7.sdf
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon24.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u19_htg.sdf
91: ref = C[C@]12CCCC[C@@]2(C)CC2(C1)CCC2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u1d_181.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u1e_182.sdf
91: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u1f_183.sdf
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon_cistrans1.mol
91: ref = C/C=C\C[C@H](C/C=C/C)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u1g_bbb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u1x_hha.sdf
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon_cistrans2.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u21_p2c.sdf
91: ref = C/C=C/C[C@H](C/C=C/C)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u30_gox.sdf
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon_cistrans3.mol
91: ref = C/C=C/1\CC/C(=C\C)/CC1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u30_lag.sdf
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon_cistrans4.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u33_lm2.sdf
91: ref = C/C=C/1\CC/C(=C/C)/CC1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u3q_272.sdf
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon_cistrans5.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u3r_338.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u3s_797.sdf
91: ref = C/C=C/1\CC[C@]2(CC1)CC/C(=C\C)/CC2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u3t_ccb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u3w_fxy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u4g_hpi.sdf
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon_cistrans6.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u4m_h3s.sdf
91: ref = C/C=C/1\C/C(=C/O)/C/C(=C\O)/C1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u4o_ndd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u5c_bik.sdf
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon_cistrans7.mol
91: ref = C/C=C/1\C/C(=C\O)/C/C(=C\O)/C1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u65_cp0.sdf
91: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u68_npr.sdf
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon_cistrans8.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u6q_745.sdf
91: ref = C/C=C/1\CC[C@H](CC1)[C@H]([C@@H]1CC/C(=C\C)/CC1)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u6s_dcc.sdf
91: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u71_mxa.sdf
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon_cistrans9.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u88_gty.sdf
91: ref = C/C=C/1\C(=C\C)\C1=C/C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u9e_397.sdf
91: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u9o_cns.sdf
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon_cistrans15.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1u9q_186.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ubw_gpp.sdf
91: ref = C/C=C\C=C\C[C@@](C/C=C\C=C\C)(C/C=C\C=C/C)C/C=C/C=C/C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1udu_cia.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ueh_oxn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ueh_unl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uf5_cdt.sdf
91: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uf8_ing.sdf
91: ==================== end doRoundtrip =========================
91:  True Shuffling: stereo/canon_cistrans16.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uh0_mgc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uhe_nsn.sdf
91: ref = C/C=C(/[C@@H]1CC[C@H](CC1)C)\[C@@H]1CC[C@@H](CC1)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uhh_czp.sdf
91: ==================== start doRoundtrip =========================
91: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uhj_czb.sdf
104/208 Test  #91: test_shuffle_5 ...................   Passed    0.36 sec
test 112
        Start 112: test_stereoperception_2
112: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "stereoperceptiontest" "2"
112: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
112: Environment variables: 
112:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
112:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
112: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uhk_czn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uhl_mei.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uip_pur.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uk0_frm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uk1_frq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uki_537.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1umc_4mv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1umg_2fp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uml_fr4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ump_sqa.sdf
110: structure perception1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1unb_pn1.sdf
110: structure perception2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ung_alh.sdf
110: structure perception3
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1unh_ixm.sdf
110: structure perception4
110: structure perception5
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uob_pnn.sdf
110: structure perception6
110: structure perception7
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uom_pti.sdf
110: structure perception8
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uou_cmu.sdf
110: structure perception9
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1upj_u01.sdf
110: structure perception10
110: structure perception11
110: structure perception12
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uqs_gmm.sdf
110: structure perception13
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1urw_i1p.sdf
110: structure perception14
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1usn_in9.sdf
110: structure perception15
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ut6_a8n.sdf
110: structure perception16
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1utt_cp8.sdf
110: structure perception17
110: structure perception18
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1utz_pf3.sdf
110: structure perception19
110: structure perception20
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uu7_bi2.sdf
110: Razinger paper, fig. 1: structure a
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uu9_bi3.sdf
110: Razinger paper, fig. 1: structure b
110: Razinger paper, fig. 1: structure c
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uum_afi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uuo_brf.sdf
110: Razinger paper, fig. 1: structure d
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uv5_brw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uv6_cce.sdf
110: Razinger paper, fig. 1: structure e
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uvt_i48.sdf
110: Razinger paper, fig. 1: structure f
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uvu_dch.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uw6_nct.sdf
110: Razinger paper, fig. 1: structure g
110: Razinger paper, fig. 1: structure h
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uwf_deg.sdf
110: Razinger paper, fig. 1: structure i
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uwt_gtl.sdf
110: Razinger paper, fig. 1: structure j
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uyc_pu7.sdf
110: Razinger paper, fig. 1: structure k
110: Razinger paper, fig. 1: structure l
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uyd_pu8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uye_pu9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uyf_pu1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uyh_pu0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uyi_puz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uyk_pux.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uym_pu3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uyr_d1l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uys_h1l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uz1_ifl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1uzw_cdh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1v08_ntz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1v0o_inr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1v1a_kdg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1v1j_fa3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1v1k_3fp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1v2h_gun.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1v2o_anh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1v39_m7g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1v3q_2di.sdf
110: Razinger paper, fig. 1: structure m
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1v3x_d76.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1v40_o16.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1v41_azg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1v45_3dg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1v48_ha1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1v4s_mrk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1v5y_4hc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1v5z_2hc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1v79_fr7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1v7a_frc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1v9q_czm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1va6_p2s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1vaf_arr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1vam_pna.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1vcj_iba.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1vdv_mos.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1vdv_ysh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1veb_i05.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1vgc_v36.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1vj3_tab.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1vj9_5in.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1vja_7in.sdf
111: N[C@H](F)O	
111: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1vjy_460.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1vkg_cri.sdf
105/208 Test #111: test_stereoperception_1 ..........   Passed    0.16 sec
test 113
        Start 113: test_stereoperception_3
113: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "stereoperceptiontest" "3"
113: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
113: Environment variables: 
113:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
113:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
113: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1vm1_taz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1vzq_shy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w04_hcg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w06_w05.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w0c_taq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w0y_771.sdf
112: F/C=C/F	
112: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w0z_si1.sdf
106/208 Test #112: test_stereoperception_2 ..........   Passed    0.09 sec
test 114
        Start 114: test_stereoperception_4
114: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "stereoperceptiontest" "4"
114: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
114: Environment variables: 
114:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
114:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
114: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w11_sk1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w13_sm1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w19_t1p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w19_t2p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w19_t4p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w19_t5p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w1p_gio.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w1t_chq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w1v_alj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w1y_typ.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w22_nhb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w29_ts0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w29_ts1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w2d_4ip.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w2k_380.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w2o_p1c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w3j_oxz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w3v_mdz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w3y_pvc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w4l_gl8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w4o_ua3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w4p_um3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w4q_umf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w6h_tit.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w6k_lan.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w6r_gnt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w6y_equ.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w78_pd8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w7g_miu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w7x_413.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w82_l10.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w83_l11.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w8l_1p3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w8m_e1p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w96_s1a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w9b_cgt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1w9b_gol.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wax_lo1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wb5_syr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wb6_vxx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wbk_568.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wbn_l09.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wbs_li2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wbt_wbt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wci_wwf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wda_bag.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wkg_poi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wm0_plb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wm1_ptb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wn6_bst.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1woa_g2h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wok_cnq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wop_ffo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wqv_psm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wrr_unc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ws4_amg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wss_3cb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wsv_thh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wtg_3bp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wua_ap8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wun_p5b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wut_bn2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wuy_bn3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wv0_bn4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wv1_bn5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wv7_5pi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wvj_ibc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wvx_bd4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wxj_ipl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wxy_frk.sdf
107/208 Test #114: test_stereoperception_4 ..........   Passed    0.09 sec
test 115
        Start 115: test_tautomer_1
115: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "1"
115: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
115: Environment variables: 
115:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
115:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
115: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wxz_frl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wzd_yok.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wzf_yol.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wzg_yom.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1wzy_f29.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x1i_46m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x1j_46d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x29_pmg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x2a_pdg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x2b_stx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x2e_atx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x6n_ao3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x6u_do8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x70_715.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x71_db1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x76_697.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x78_244.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x7a_187.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x7b_041.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x81_jan.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x84_sbh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x88_nat.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x89_cm1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x8i_bmh.sdf
108/208 Test  #95: test_spectrophore_1 ..............   Passed    0.42 sec
test 116
        Start 116: test_tautomer_2
116: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "2"
116: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
116: Environment variables: 
116:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
116:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
116: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x8r_sc1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x8t_rc1.sdf
113: F[C@@](I)(Br)Cl	
113: 
113: F[C@H](Br)Cl	
113: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x8u_cm2.sdf
113: FC(Br)Cl	
113: 
113: FC(Br)Cl	
113: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x8v_esl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x97_fir.sdf
109/208 Test #113: test_stereoperception_3 ..........   Passed    0.14 sec
test 117
        Start 117: test_tautomer_3
117: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "3"
117: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
117: Environment variables: 
117:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
117:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
117: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1x9d_smd.sdf
110: Razinger paper, fig. 1: structure n
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xai_crb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xan_hxp.sdf
110: Razinger paper, fig. 1: structure o
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xbo_ix1.sdf
110: Razinger paper, fig. 1: structure p
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xbx_hms.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xcw_3sa.sdf
110/208 Test #110: test_stereo_6 ....................   Passed    0.31 sec
test 118
        Start 118: test_tautomer_4
118: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "4"
118: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
118: Environment variables: 
118:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
118:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
118: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xcx_iab.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xd0_are.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xd1_6sa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xdd_aay.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xdg_ab8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xe5_5fe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xe6_5fp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xfg_hga.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xgi_nst.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xgj_htc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xh0_aao.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xh4_r69.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xh5_r68.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xh6_r94.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xh7_r96.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xh8_r55.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xi2_cb1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xij_the.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xiv_rb2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xka_4pp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xkx_imk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xl2_189.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xl5_190.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xl8_ocb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xli_glt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xlm_xyl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xlr_vnl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xls_tcd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xlu_isp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xlz_fil.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xm1_gah.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xm4_pil.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xm6_5rm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xmu_rof.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xmy_rol.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xnn_hyq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xnx_ate.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xoe_abx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xog_abw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xom_cio.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xor_zar.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xot_vdn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xow_r18.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xp1_aih.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xp9_aij.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xpo_bcm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xpr_fb.sdf
111/208 Test #115: test_tautomer_1 ..................   Passed    0.10 sec
test 119
        Start 119: test_tautomer_5
119: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "5"
119: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
119: Environment variables: 
119:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
119:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
119: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xpu_fpd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xpz_4tz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xq0_4tr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xqc_aej.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xqk_pmh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xqx_pcs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xr3_isz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xuc_pb3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xud_pb4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xuh_bao.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xuo_la1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xur_pb5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xvp_cid.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xvp_f15.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xws_bi1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xxp_ptr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xxs_ste.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xyc_3mf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xym_glo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xz0_jh0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1xzq_fon.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y0s_331.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y0x_t44.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y1d_fhi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y2b_dee.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y2c_3de.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y2d_4de.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y2e_5de.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y2f_wai.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y2g_cl3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y2h_6de.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y2k_7de.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y3u_uiq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y3v_uir.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y3w_uip.sdf
112/208 Test #118: test_tautomer_4 ..................   Passed    0.09 sec
test 120
        Start 120: test_tautomer_6
120: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "6"
120: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
120: Environment variables: 
120:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
120:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
120: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y3x_uib.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y57_mpz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y59_tl1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y5a_tl2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y5b_tl3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y5v_ne8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y5w_nez.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y5x_e89.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y6a_aaz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y6b_aax.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y6o_mji.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y6r_mtm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y8j_sts.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y91_ct9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1y9t_hhg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ya4_ctx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ya8_smb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yah_eee.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yb6_mnn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yb7_icn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ybg_tav.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ybh_cie.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ybq_bdh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yc1_4bc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ycl_kri.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ydr_iqp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yds_iqs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ydt_iqb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yfw_4aa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ygc_905.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ygj_rmc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ygk_rrc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yhj_r6c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yhy_1mm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yhy_p22.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yi1_1tb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yi3_ly2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yim_cm4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yin_cm3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yki_nfz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ykr_628.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ymt_dr9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ynd_sfa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ynh_suo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yni_sug.sdf
113/208 Test #119: test_tautomer_5 ..................   Passed    0.09 sec
test 121
        Start 121: test_tautomer_7
121: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "7"
121: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
121: Environment variables: 
121:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
121:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
121: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ynj_srn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yns_hpo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yol_s03.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1you_pfd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yow_p0e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yp9_uiz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yqy_915.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yrs_l47.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yry_msg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yvf_ph7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yvj_4st.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yvm_tmg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yvx_ipc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yvz_jpc.sdf
114/208 Test #116: test_tautomer_2 ..................   Passed    0.18 sec
test 122
        Start 122: test_tautomer_8
122: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "8"
122: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
122: Environment variables: 
122:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
122:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
122: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yw2_pgj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yw7_a41.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yw8_a75.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yw9_a84.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ywn_lif.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yxq_swi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yxx_li7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yy4_4na.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yye_196.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yyt_saz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yyu_raz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yz3_ska.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1yzx_gsf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1z11_8mo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1z2l_1al.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1z2o_i4p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1z2p_i3s.sdf
115/208 Test #120: test_tautomer_6 ..................   Passed    0.10 sec
test 123
        Start 123: test_tautomer_9
123: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "9"
123: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
123: Environment variables: 
123:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
123:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
123: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1z3n_3na.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1z4j_u2p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1z4o_gl1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1z4q_d4m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1z4u_ph9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1z4x_slt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1z5m_li8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1z62_iaa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1z6j_py3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1z6l_dre.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1z6p_194.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1z71_l17.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1z7j_t4a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1z7y_aa5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1z89_62p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1z8n_1iq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1z8q_deb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1z9g_rrt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zab_urd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zaf_789.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zd2_nc3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zd3_nc4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zd4_nc6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zd5_nc7.sdf
116/208 Test #117: test_tautomer_3 ..................   Passed    0.23 sec
test 124
        Start 124: test_tautomer_10
124: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "10"
124: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
124: Environment variables: 
124:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
124:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
124: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zdp_tio.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zdt_pef.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zdu_p3a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zed_pnp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zeh_crs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zeo_c01.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zfk_nr2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zg3_2hi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zg7_p20.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zg8_l98.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zg9_l06.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zga_hmk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zgb_a1e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zgc_a2e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zgi_382.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zgj_p1s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zgv_501.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zh0_nal.sdf
117/208 Test #121: test_tautomer_7 ..................   Passed    0.10 sec
test 125
        Start 125: test_tautomer_11
125: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "11"
125: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
125: Environment variables: 
125:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
125:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
125: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zh6_4af.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zha_r5p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zht_hcr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zi5_dr3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zj3_dr2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zjp_dr4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zly_dqb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zly_grf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1znd_pe9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zne_he2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zng_he4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1znh_oc9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1znk_f09.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1znl_de1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zo9_epm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zoe_k25.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zog_k37.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zoh_k44.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zot_ema.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zp5_2ni.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zpd_dpx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zpl_mag.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zq5_e04.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zr8_ajm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zrb_062.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zrk_367.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zs0_ein.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zsj_709.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zsk_421.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ztq_033.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zua_tol.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zuc_t98.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zvx_fin.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zwh_rde.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zxc_ih6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zxv_mfm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zyq_dad.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zys_199.sdf
118/208 Test #123: test_tautomer_9 ..................   Passed    0.10 sec
test 126
        Start 126: test_tautomer_12
126: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "12"
126: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
126: Environment variables: 
126:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
126:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
126: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zyx_lcf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zz2_b11.sdf
119/208 Test #122: test_tautomer_8 ..................   Passed    0.12 sec
test 127
        Start 127: test_tautomer_13
127: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "13"
127: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
127: Environment variables: 
127:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
127:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
127: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1zz3_3yp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2a0c_ck9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2a2r_gsn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2a31_pg3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2a3c_pnx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2a3x_cpk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2a3y_cpj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2a4r_bnh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2a4z_bym.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2a5b_8hg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2a5c_8da.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2a5u_qyt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2a7p_3il.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2a7q_cfb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2a85_hoc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2a8h_4nh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2a8u_dr5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2a9w_ga9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2a9y_26a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2aa2_as4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2aa3_ap0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2aaq_aup.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ab2_snl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ab6_gsm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ab8_mtp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2abi_1ca.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2abj_cbc.sdf
120/208 Test #124: test_tautomer_10 .................   Passed    0.10 sec
test 128
        Start 128: test_tautomer_14
128: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "14"
128: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
128: Environment variables: 
128:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
128:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
128: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2acl_l05.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ada_hpr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2adu_r20.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2aei_03r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2af9_dao.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2afu_bgt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2afx_1bn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ag2_ch5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ag2_lp3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ag6_4bf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2agd_udh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2agv_bhq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2agw_tss.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ahg_ucd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ai1_p1g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ai2_p1d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ai3_p2g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ai8_sb7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2aia_sb8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2aie_sb9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2aio_mx1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2air_al0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2aix_u1k.sdf
121/208 Test #125: test_tautomer_11 .................   Passed    0.10 sec
test 129
        Start 129: test_tautomer_15
129: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "15"
129: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
129: Environment variables: 
129:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
129:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
129: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2aj8_sc3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2akw_200.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2al5_fwd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2alw_mnm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2amb_17h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2an3_ctl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2an4_otr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2an5_ttl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ank_n12.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2anm_cdo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ano_817.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2anq_c1a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2aob_s1s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2aot_2pm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2aou_cqa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2aov_4di.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2aov_c2m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2aow_tha.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2aq7_tl5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2aqb_tl6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2asm_rga.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2aso_spx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2asp_rgc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ath_3ea.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ati_ihu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ato_myq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2awh_vca.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ax7_fhm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ax9_bhm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ay1_ahc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ay2_cxp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ay3_mpp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ay4_ppt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ay6_3ib.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ay7_clt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ay8_4tb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ay9_5pv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ayp_43a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ayw_ono.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2az5_307.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2azr_982.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2azz_tch.sdf
122/208 Test #126: test_tautomer_12 .................   Passed    0.10 sec
test 130
        Start 130: test_tautomer_16
130: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "16"
130: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
130: Environment variables: 
130:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
130:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
130: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2b00_gch.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2b03_tud.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2b07_598.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2b0m_201.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2b0q_nmy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2b1g_13a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2b1i_93a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2b1p_aiz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2b37_8ps.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2b4b_b33.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2b52_d42.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2b53_d23.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2b54_d05.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2b55_d31.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2b6a_t50.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2b77_3ca.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2b7d_c1b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2b7p_pht.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2b8o_0gj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2b99_rdl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2baj_1pp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bal_pqa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ban_357.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bb7_qms.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bbf_344.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bdf_24a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bdj_het.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bdm_tmi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bdy_unb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2be2_r22.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bed_736.sdf
123/208 Test #127: test_tautomer_13 .................   Passed    0.13 sec
test 131
        Start 131: test_tautomer_17
131: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "17"
131: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
131: Environment variables: 
131:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
131:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
131: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bel_cbo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bet_dez.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bev_thy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bew_thw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bfc_tzd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bgd_t1d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bge_t2d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bhh_ryu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bhi_c10.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bhi_sft.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bhj_fc1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bhw_lux.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2biw_3on.sdf
124/208 Test #128: test_tautomer_14 .................   Passed    0.11 sec
test 132
        Start 132: test_tautomer_18
132: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "18"
132: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
132: Environment variables: 
132:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
132:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
132: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bjm_anf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bju_ih4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bkt_rpf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bl2_umq.sdf
125/208 Test #129: test_tautomer_15 .................   Passed    0.10 sec
test 133
        Start 133: test_tautomer_19
133: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "19"
133: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
133: Environment variables: 
133:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
133:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
133: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2blc_cp7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bm2_pm2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bmc_mpy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bmg_i1h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bml_xed.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bok_784.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bq6_iib.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bq7_iid.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bqv_a1a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bqw_iie.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2br1_pfp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2br6_hsl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2brb_pfq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bre_kj2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2brg_dfy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2brh_dfw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2brm_dfz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2brn_df1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bro_df2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2brp_sie.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bsm_bsm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bt0_ct5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bt4_ca2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bu2_tf1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bu6_tf2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bu7_tf3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bu9_hfv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bua_007.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bub_fpb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2buc_008.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2buw_phb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bv7_gm3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bvd_isx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bve_ph5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bvn_enx.sdf
126/208 Test #130: test_tautomer_16 .................   Passed    0.10 sec
test 134
        Start 134: test_tautomer_20
134: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "20"
134: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
134: Environment variables: 
134:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
134:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
134: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bvr_4cp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bvs_2ce.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bvx_5cb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bxa_c1f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bxf_dzp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bxh_ios.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bxi_azq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bxl_diu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bxn_idb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bxn_myr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bxt_c2d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bxu_c1d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bxv_3ft.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2by4_ad4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2byh_2d7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2byi_2dd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bz5_ab4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2bz6_346.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c0i_l1g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c0o_l2g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c0t_l3g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c12_spm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c1a_i5s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c1b_cqp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c1z_u2f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c2s_34b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c2w_5cd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c3c_com.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c3i_iyz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c3k_abo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c3p_1tp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c3q_gtx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c3u_2tp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c4f_gil.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c4j_gso.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c4t_sa8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c4w_gaj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c58_at3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c6c_24i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c6e_hpm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c6i_dt1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c6k_dt2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c6l_dt4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c92_tp6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c94_tsf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c97_jcl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c9b_pug.sdf
127/208 Test #133: test_tautomer_19 .................   Passed    0.10 sec
test 135
        Start 135: test_tautomer_21
135: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "21"
135: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
135: Environment variables: 
135:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
135:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
135: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2c9d_phr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cbo_th2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cbr_a80.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cbs_r13.sdf
128/208 Test #131: test_tautomer_17 .................   Passed    0.12 sec
test 136
        Start 136: test_tautomer_22
136: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "22"
136: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
136: Environment variables: 
136:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
136:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
136: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cbv_cgb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cc2_5ad.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cc7_lum.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ccc_lfn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cct_2e1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ccu_2d9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cdz_23d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cej_1ah.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cek_n8t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ceq_gim.sdf
129/208 Test #132: test_tautomer_18 .................   Passed    0.12 sec
test 137
        Start 137: test_tautomer_23
137: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "23"
137: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
137: Environment variables: 
137:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
137:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
137: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cer_pgi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cf8_esh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cf9_348.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cfi_zzz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cgf_p2n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cgo_fum.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cgu_3a3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2chm_3p4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2chn_ngt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2chw_039.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2chx_090.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2chz_093.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ci0_1cm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ci5_hcs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cib_cm6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cjf_rp4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cji_gsk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cke_iqu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ckm_aa7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cl5_bie.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2clo_f19.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cm7_izd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cm8_f16.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cma_f20.sdf
130/208 Test #134: test_tautomer_20 .................   Passed    0.10 sec
test 138
        Start 138: test_tautomer_24
138: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "24"
138: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
138: Environment variables: 
138:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
138:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
138: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cmb_f17.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cmc_dfm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cmf_f11.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cn0_f25.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cn8_dbq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cne_dfj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cnf_f32.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cng_ize.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cnh_izb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cni_izf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cnv_sss.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2coj_gbn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2csn_cki.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cvd_hql.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cxp_a5p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cxq_s6p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2cy6_tre.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2d0e_nq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2d1j_d01.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2d1o_fa4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2d1r_olu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2d2g_dzz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2d2h_tzz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2d3a_p3s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2d3u_cct.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2d3z_fih.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2d41_snh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2d60_l35.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2dap_api.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2dcm_ga0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2de3_obp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2de4_bps.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2dio_eod.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2dkc_16g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2dkd_ng1.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2e49_mh6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2e4v_2cg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2e4w_c5a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2e4x_c5b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2e4y_52a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2e6f_oxc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2e82_im3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2e92_m0n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2e94_364.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2e98_b29.sdf
131/208 Test #135: test_tautomer_21 .................   Passed    0.10 sec
test 139
        Start 139: test_tautomer_25
139: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "25"
139: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
139: Environment variables: 
139:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
139:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
139: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2e99_b08.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2e9a_b28.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2e9c_b75.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2e9d_b76.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2e9n_76a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2e9o_a58.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2e9p_77a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2e9u_a25.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2e9v_85a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ea2_f77.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ea4_f79.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ec9_24x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2eep_aio.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ef6_mdm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2eg7_otd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ei1_d1n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ei3_bpy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ei6_d92.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2el9_hss.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2erz_hfs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2esm_m77.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2est_2z5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2etm_7py.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2etr_y27.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2euf_lqq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2evc_fc3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2evd_d10.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2evm_fc2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2evo_ct0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ewb_zed.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ewp_txf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ewy_dbo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2exc_jnk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ez8_tdl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ezt_tdm.sdf
132/208 Test #138: test_tautomer_24 .................   Passed    0.10 sec
test 140
        Start 140: test_tautomer_26
140: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "26"
140: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
140: Environment variables: 
140:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
140:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
140: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f0y_3mn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f11_iem.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f12_htm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f13_dym.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f17_pyi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f18_gb1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f1a_gb2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f1b_gb3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f1g_gnf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f2c_ap9.sdf
133/208 Test #136: test_tautomer_22 .................   Passed    0.15 sec
test 141
        Start 141: test_tautomer_27
141: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "27"
141: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
141: Environment variables: 
141:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
141:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
141: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f2h_xtg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f2k_tgg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f34_uba.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f35_ubc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f38_15m.sdf
134/208 Test #137: test_tautomer_23 .................   Passed    0.14 sec
test 142
        Start 142: test_tautomer_28
142: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tautomertest" "28"
142: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
142: Environment variables: 
142:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
142:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
142: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f3d_amp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f4b_eha.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f4j_vx6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f6t_1c2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f6v_sk2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f6w_un3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f6z_un5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f70_un6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f71_un7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f7e_2ea.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f7o_msn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f7p_2sk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f7q_aol.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f7r_sk3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f7x_4ea.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f7z_6ea.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f8i_205.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f92_ahd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f94_bfq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f98_ngv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f99_akv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2f9b_n1h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2faf_20s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fb8_215.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fbr_44c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fdc_flq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fdu_d1g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fdv_d2g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fdw_d3g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fdy_d4g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fg6_sn0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fgi_pd1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fhy_a37.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fie_a74.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fim_3dp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fix_870.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fjm_073.sdf
135/208 Test #139: test_tautomer_25 .................   Passed    0.09 sec
test 143
        Start 143: test_tetrahedral_1
143: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "1"
143: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
143: Environment variables: 
143:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
143:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
143: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fjp_s14.sdf
136/208 Test #143: test_tetrahedral_1 ...............   Passed    0.00 sec
test 144
        Start 144: test_tetrahedral_2
144: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "2"
144: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
144: Environment variables: 
144:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
144:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
144: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fky_n2t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fl2_n4t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fl6_n5t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2flb_6nh.sdf
144: ==============================
144: *** Open Babel Error  in SetConfig
144:   OBTetrahedralStereo::SetConfig : center atom id is invalid.
144: ==============================
144: *** Open Babel Error  in SetConfig
144:   OBTetrahedralStereo::SetConfig : from/towards atom id is invalid.
144: ==============================
144: *** Open Babel Error  in SetConfig
144:   OBTetrahedralStereo::SetConfig : found 0 reference ids, should be 3.
137/208 Test #144: test_tetrahedral_2 ...............   Passed    0.00 sec
test 145
        Start 145: test_tetrahedral_3
145: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "3"
145: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
145: Environment variables: 
145:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
145:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
145: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2flm_6ca.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2flr_7nh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fm0_m98.sdf
138/208 Test #145: test_tetrahedral_3 ...............   Passed    0.00 sec
test 146
        Start 146: test_tetrahedral_4
146: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "4"
146: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
146: Environment variables: 
146:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
146:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
146: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fm5_m99.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fmb_lp1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fme_3qc.sdf
139/208 Test #146: test_tetrahedral_4 ...............   Passed    0.00 sec
test 147
        Start 147: test_tetrahedral_5
147: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "5"
147: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
147: Environment variables: 
147:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
147:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
147: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fmn_4hf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2foy_b30.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fpc_scg.sdf
147: ==============================
147: *** Open Babel Error  in ToConfig
147:   OBTetraNonPlanarStereo::ToConfig : Invalid from in ConfigType struct.
140/208 Test #147: test_tetrahedral_5 ...............   Passed    0.00 sec
test 148
        Start 148: test_tetranonplanar_1
148: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tetranonplanartest" "1"
148: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
148: Environment variables: 
148:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
148:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
148: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fpt_ilb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fpv_ilc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fpy_ilf.sdf
141/208 Test #148: test_tetranonplanar_1 ............   Passed    0.00 sec
test 149
        Start 149: test_tetraplanar_1
149: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "tetraplanartest" "1"
149: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
149: Environment variables: 
149:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
149:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
149: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fpz_270.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fq6_p3f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fqi_ilh.sdf
142/208 Test #149: test_tetraplanar_1 ...............   Passed    0.00 sec
test 150
        Start 150: test_uniqueid_1
150: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "uniqueidtest" "1"
150: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
150: Environment variables: 
150:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
150:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
150: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fqo_hyi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fqt_h1d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fr5_tyu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fsz_oht.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fu9_mp2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fut_h1s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fv5_541.sdf
143/208 Test #150: test_uniqueid_1 ..................   Passed    0.01 sec
test 151
        Start 151: test_uniqueid_2
151: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "uniqueidtest" "2"
151: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
151: Environment variables: 
151:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
151:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
151: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fv9_002.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fvc_888.sdf
144/208 Test #151: test_uniqueid_2 ..................   Passed    0.00 sec
test 152
        Start 152: test_aromatest_1
152: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "aromatest" "1"
152: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
152: Environment variables: 
152:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
152:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
152: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fvd_lia.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fwy_h64.sdf
152: 
152: # Testing aromaticity perception...  
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fxe_dr7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fxl_2al.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fxs_rda.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fxu_bid.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fyv_w72.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fzc_eop.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fzg_eob.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fzi_dh3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2fzk_eoz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g01_73q.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g0e_cgq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g0g_sp0.sdf
145/208 Test #141: test_tautomer_27 .................   Passed    0.10 sec
test 153
        Start 153: test_atom_1
153: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "atom" "1"
153: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
153: Environment variables: 
153:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
153:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
153: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g0h_sp3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g1a_5hg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g1m_4hg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g1n_1ig.sdf
153: # Unit tests for OBAtom 
146/208 Test #153: test_atom_1 ......................   Passed    0.00 sec
test 154
        Start 154: test_atom_2
154: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "atom" "2"
154: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
154: Environment variables: 
154:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
154:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
154: Test timeout computed to be: 1500
147/208 Test #140: test_tautomer_26 .................   Passed    0.12 sec
test 155
        Start 155: test_atom_3
155: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "atom" "3"
155: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
155: Environment variables: 
155:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
155:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
155: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g1o_2ig.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g1q_n9h.sdf
154: # Unit tests for OBAtom 
154: 0
154: 4294967295
154: ok 3
148/208 Test #154: test_atom_2 ......................   Passed    0.00 sec
test 156
        Start 156: test_atom_4
156: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "atom" "4"
156: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
156: Environment variables: 
156:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
156:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
156: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g1r_3ig.sdf
155: # Unit tests for OBAtom 
155: 0
155: 255
155: 200
155: 44
155: ok 4
149/208 Test #155: test_atom_3 ......................   Passed    0.00 sec
test 157
        Start 157: test_bond_1
157: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "bond" "1"
157: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
157: Environment variables: 
157:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
157:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
157: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g1s_4ig.sdf
156: # Unit tests for OBAtom 
156: ok 5
156: ok 6
150/208 Test #156: test_atom_4 ......................   Passed    0.00 sec
test 158
        Start 158: test_cansmi_1
158: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cansmi" "1"
158: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
158: Environment variables: 
158:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
158:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
158: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g1y_5ig.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g20_l1a.sdf
158: 
157: # Unit tests for OBBond 
157: ok 3
151/208 Test #157: test_bond_1 ......................   Passed    0.01 sec
test 159
        Start 159: test_charge_mmff94_1
159: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "charge_mmff94" "1"
159: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
159: Environment variables: 
159:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
159:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
159: Test timeout computed to be: 1500
152/208 Test #142: test_tautomer_28 .................   Passed    0.12 sec
test 160
        Start 160: test_charge_gasteiger_1
160: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "charge_gasteiger" "1"
160: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
160: Environment variables: 
160:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
160:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
160: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g21_l1b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g22_6ig.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g24_7ig.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g27_4lg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g28_tdk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g2h_p16.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g5n_23m.sdf
159: # Testing MMFF94 Charge Model...
160: # Testing GASTEIGER Charge Model...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g5v_22m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g6p_hm2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g70_hnt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g70_sam.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g71_fts.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g78_rea.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g7m_an0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g7y_mo9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g8n_f83.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g8r_n3e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g8t_mi2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g8x_dtt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g97_dgb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2g9x_nu5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ga2_a19.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gbi_xih.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gc0_pan.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gc3_m6p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gc8_885.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gcq_doi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gd8_po1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gdo_12c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2get_cok.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gfj_vi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gfk_vii.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gfx_pmn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gg0_u11.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gg2_u12.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gg3_u13.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gg5_u19.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gg7_u14.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gg8_u15.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gg9_u16.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ggb_u17.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ggx_npj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gh6_cf3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ghg_a53.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ghl_lib.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ghm_lic.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2giq_nn2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gir_nn3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2giu_fbr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gj4_2th.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2glm_scb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2glp_bde.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gm1_2az.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gm9_3th.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gms_p0p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gmv_un8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gmx_877.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gnh_h52.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2go4_tux.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gpp_1ba.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gqn_blp.sdf
152: ok 1
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152: ok 73
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152: ok 76
152: ok 77
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152: ok 88
152: ok 89
152: ok 90
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152: ok 93
152: ok 94
152: ok 95
152: ok 96
152: ok 97
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152: ok 103
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152: ok 105
152: ok 106
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152: ok 108
152: ok 109
152: ok 110
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152: ok 113
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152: ok 115
152: ok 116
152: ok 117
152: ok 118
152: ok 119
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152: ok 135
152: ok 136
152: ok 137
152: ok 138
152: ok 139
152: ok 140
152: ok 141
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152: ok 143
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152: ok 145
152: ok 146
152: ok 147
152: ok 148
152: ok 149
152: ok 150
152: ok 151
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152: ok 155
152: ok 156
152: ok 157
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152: ok 159
152: ok 160
152: ok 161
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152: ok 163
152: ok 164
152: ok 165
152: ok 166
152: ok 167
152: ok 168
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152: ok 170
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152: ok 172
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152: ok 174
152: ok 175
152: ok 176
152: ok 177
152: ok 178
152: ok 179
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152: ok 183
152: ok 184
152: ok 185
152: ok 186
152: ok 187
152: ok 188
152: ok 189
152: ok 190
152: ok 191
152: ok 192
152: ok 193
152: ok 194
152: ok 195
152: ok 196
152: ok 197
152: ok 198
152: ok 199
152: ok 200
152: ok 201
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152: ok 207
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152: ok 210
152: ok 211
152: ok 212
152: ok 213
152: ok 214
152: ok 215
152: ok 216
152: ok 217
152: ok 218
152: ok 219
152: ok 220
152: ok 221
152: ok 222
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152: ok 225
152: ok 226
152: ok 227
152: ok 228
152: ok 229
152: ok 230
152: ok 231
152: ok 232
152: ok 233
152: ok 234
152: ok 235
152: ok 236
152: ok 237
152: ok 238
152: ok 239
152: ok 240
152: ok 241
152: ok 242
152: ok 243
152: ok 244
152: ok 245
152: ok 246
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152: ok 248
152: ok 249
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152: ok 252
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152: ok 254
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152: ok 261
152: ok 262
152: ok 263
152: ok 264
152: ok 265
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152: ok 267
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152: ok 280
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152: ok 282
152: ok 283
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152: ok 285
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152: ok 287
152: ok 288
152: ok 289
152: ok 290
152: ok 291
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152: ok 293
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152: ok 300
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152: ok 391
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152: ok 427
152: ok 428
152: ok 429
152: ok 430
152: ok 431
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152: ok 433
152: ok 434
152: ok 435
152: ok 436
152: ok 437
152: ok 438
152: ok 439
152: ok 440
152: ok 441
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152: ok 443
152: ok 444
152: ok 445
152: ok 446
152: ok 447
152: ok 448
152: ok 449
152: ok 450
152: ok 451
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152: ok 453
152: ok 454
152: ok 455
152: ok 456
152: ok 457
152: ok 458
152: ok 459
152: ok 460
152: ok 461
152: ok 462
152: ok 463
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152: ok 465
152: ok 466
152: ok 467
152: ok 468
152: ok 469
152: ok 470
152: ok 471
152: ok 472
152: ok 473
152: ok 474
152: ok 475
152: ok 476
152: ok 477
152: ok 478
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152: ok 480
152: ok 481
152: ok 482
152: ok 483
152: ok 484
152: ok 485
152: ok 486
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152: ok 488
152: ok 489
152: ok 490
152: ok 491
152: ok 492
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152: ok 494
152: ok 495
152: ok 496
152: ok 497
152: ok 498
152: ok 499
152: ok 500
152: ok 501
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152: ok 503
152: ok 504
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152: ok 507
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152: ok 510
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152: ok 514
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152: ok 517
152: ok 518
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152: ok 520
152: ok 521
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152: ok 526
152: ok 527
152: ok 528
152: ok 529
152: ok 530
152: ok 531
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152: ok 533
152: ok 534
152: ok 535
152: ok 536
152: ok 537
152: ok 538
152: ok 539
152: ok 540
152: ok 541
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152: ok 543
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152: ok 545
152: ok 546
152: ok 547
152: ok 548
152: ok 549
152: ok 550
152: ok 551
152: ok 552
152: ok 553
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152: ok 555
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152: ok 557
152: ok 558
152: ok 559
152: ok 560
152: ok 561
152: ok 562
152: ok 563
152: ok 564
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152: ok 566
152: ok 567
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152: ok 569
152: ok 570
152: ok 571
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152: ok 573
152: ok 574
152: ok 575
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152: ok 577
152: ok 578
152: ok 579
152: ok 580
152: ok 581
152: ok 582
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152: ok 584
152: ok 585
152: ok 586
152: ok 587
152: ok 588
152: ok 589
152: ok 590
152: ok 591
152: ok 592
152: ok 593
152: ok 594
152: ok 595
152: ok 596
152: ok 597
152: ok 598
152: ok 599
152: ok 600
152: ok 601
152: ok 602
152: ok 603
152: ok 604
152: ok 605
152: ok 606
152: ok 607
152: ok 608
152: ok 609
152: ok 610
152: ok 611
152: ok 612
152: ok 613
152: ok 614
152: ok 615
152: ok 616
152: ok 617
152: ok 618
152: ok 619
152: ok 620
152: ok 621
152: ok 622
152: ok 623
152: ok 624
152: ok 625
152: ok 626
152: ok 627
152: ok 628
152: ok 629
152: ok 630
152: ok 631
152: ok 632
152: ok 633
152: ok 634
152: ok 635
152: ok 636
152: ok 637
152: ok 638
152: ok 639
152: ok 640
152: ok 641
152: ok 642
152: ok 643
152: ok 644
152: ok 645
152: ok 646
152: ok 647
152: ok 648
152: ok 649
152: ok 650
152: ok 651
152: ok 652
152: ok 653
152: ok 654
152: ok 655
152: ok 656
152: ok 657
152: ok 658
152: ok 659
152: ok 660
152: ok 661
152: ok 662
152: ok 663
152: ok 664
152: ok 665
152: ok 666
152: ok 667
152: ok 668
152: ok 669
152: ok 670
152: ok 671
152: ok 672
152: ok 673
152: ok 674
152: ok 675
152: ok 676
152: ok 677
152: ok 678
152: ok 679
152: ok 680
152: ok 681
152: ok 682
152: ok 683
152: ok 684
152: ok 685
152: ok 686
152: ok 687
152: ok 688
152: ok 689
152: ok 690
152: ok 691
152: ok 692
152: ok 693
152: ok 694
152: ok 695
152: ok 696
152: ok 697
152: ok 698
152: ok 699
152: ok 700
152: ok 701
152: ok 702
152: ok 703
152: ok 704
152: ok 705
152: ok 706
152: ok 707
152: ok 708
152: ok 709
152: ok 710
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gqx_5cl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gru_cak.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gru_exo.sdf
153/208 Test #152: test_aromatest_1 .................   Passed    0.10 sec
test 161
        Start 161: test_datatest_1
161: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "datatest" "1"
161: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
161: Environment variables: 
161:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
161:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
161: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2grx_fci.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gsq_gbi.sdf
161: # Unit tests for data tables 
161: 1..2
161: ok 1
161: ok 2
154/208 Test #161: test_datatest_1 ..................   Passed    0.00 sec
test 162
        Start 162: test_ffgaff_1
162: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "ffgaff" "1"
162: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
162: Environment variables: 
162:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
162:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
162: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gst_gps.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gtb_azp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gte_va.sdf
162: # Testing GAFF Force Field...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gtk_208.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2gtm_lid.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2hwh_rna.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2hwi_vrx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2hwq_dry.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2hx2_3hx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2hx4_4hx.sdf
158: # Testing Canonical SMILES Generation ...  
158: ok 1 # number of heavy atoms match
158: ok 2 # number of heavy atoms match
158: ok 3 # number of heavy atoms match
158: ok 4 # number of heavy atoms match
158: ok 5 # number of heavy atoms match
158: ok 6 # number of heavy atoms match
158: ok 7 # number of heavy atoms match
158: ok 8 # number of heavy atoms match
158: ok 9 # number of heavy atoms match
158: ok 10 # number of heavy atoms match
158: ok 11 # number of heavy atoms match
158: ok 12 # number of heavy atoms match
158: ok 13 # number of heavy atoms match
158: ok 14 # number of heavy atoms match
158: ok 15 # number of heavy atoms match
158: ok 16 # number of heavy atoms match
158: ok 17 # number of heavy atoms match
158: ok 18 # number of heavy atoms match
158: ok 19 # number of heavy atoms match
158: ok 20 # number of heavy atoms match
158: ok 21 # number of heavy atoms match
158: ok 22 # number of heavy atoms match
158: ok 23 # number of heavy atoms match
158: ok 24 # number of heavy atoms match
158: ok 25 # number of heavy atoms match
158: ok 26 # number of heavy atoms match
158: ok 27 # number of heavy atoms match
158: ok 28 # number of heavy atoms match
158: ok 29 # number of heavy atoms match
158: ok 30 # number of heavy atoms match
158: ok 31 # number of heavy atoms match
158: ok 32 # number of heavy atoms match
158: ok 33 # number of heavy atoms match
158: ok 34 # number of heavy atoms match
158: ok 35 # number of heavy atoms match
158: ok 36 # number of heavy atoms match
158: ok 37 # number of heavy atoms match
158: ok 38 # number of heavy atoms match
158: ok 39 # number of heavy atoms match
158: ok 40 # number of heavy atoms match
158: ok 41 # number of heavy atoms match
158: ok 42 # number of heavy atoms match
158: ok 43 # number of heavy atoms match
158: ok 44 # number of heavy atoms match
158: ok 45 # number of heavy atoms match
158: ok 46 # number of heavy atoms match
158: ok 47 # number of heavy atoms match
158: ok 48 # number of heavy atoms match
158: ok 49 # number of heavy atoms match
158: ok 50 # number of heavy atoms match
158: ok 51 # number of heavy atoms match
158: ok 52 # number of heavy atoms match
158: ok 53 # number of heavy atoms match
158: ok 54 # number of heavy atoms match
158: ok 55 # number of heavy atoms match
158: ok 56 # number of heavy atoms match
158: ok 57 # number of heavy atoms match
158: ok 58 # number of heavy atoms match
158: ok 59 # number of heavy atoms match
158: ok 60 # number of heavy atoms match
158: ok 61 # number of heavy atoms match
158: ok 62 # number of heavy atoms match
158: ok 63 # number of heavy atoms match
158: ok 64 # number of heavy atoms match
158: ok 65 # number of heavy atoms match
158: ok 66 # number of heavy atoms match
158: ok 67 # number of heavy atoms match
158: ok 68 # number of heavy atoms match
158: ok 69 # number of heavy atoms match
158: ok 70 # number of heavy atoms match
158: ok 71 # number of heavy atoms match
158: ok 72 # number of heavy atoms match
158: ok 73 # number of heavy atoms match
158: ok 74 # number of heavy atoms match
158: ok 75 # number of heavy atoms match
158: ok 76 # number of heavy atoms match
158: ok 77 # number of heavy atoms match
158: ok 78 # number of heavy atoms match
158: ok 79 # number of heavy atoms match
158: ok 80 # number of heavy atoms match
158: ok 81 # number of heavy atoms match
158: ok 82 # number of heavy atoms match
158: ok 83 # number of heavy atoms match
158: ok 84 # number of heavy atoms match
158: ok 85 # number of heavy atoms match
158: ok 86 # number of heavy atoms match
158: ok 87 # number of heavy atoms match
158: ok 88 # number of heavy atoms match
158: ok 89 # number of heavy atoms match
158: ok 90 # number of heavy atoms match
158: ok 91 # number of heavy atoms match
158: ok 92 # number of heavy atoms match
158: ok 93 # number of heavy atoms match
158: ok 94 # number of heavy atoms match
158: ok 95 # number of heavy atoms match
158: ok 96 # number of heavy atoms match
158: ok 97 # number of heavy atoms match
158: ok 98 # number of heavy atoms match
158: ok 99 # number of heavy atoms match
158: ok 100 # number of heavy atoms match
158: ok 101 # number of heavy atoms match
158: ok 102 # number of heavy atoms match
158: ok 103 # number of heavy atoms match
158: ok 104 # number of heavy atoms match
158: ok 105 # number of heavy atoms match
158: ok 106 # number of heavy atoms match
158: ok 107 # number of heavy atoms match
158: ok 108 # number of heavy atoms match
158: ok 109 # number of heavy atoms match
158: ok 110 # number of heavy atoms match
158: ok 111 # number of heavy atoms match
158: ok 112 # number of heavy atoms match
158: ok 113 # number of heavy atoms match
158: ok 114 # number of heavy atoms match
158: ok 115 # number of heavy atoms match
158: ok 116 # number of heavy atoms match
158: ok 117 # number of heavy atoms match
158: ok 118 # number of heavy atoms match
158: ok 119 # number of heavy atoms match
158: ok 120 # number of heavy atoms match
158: ok 121 # number of heavy atoms match
158: ok 122 # number of heavy atoms match
158: ok 123 # number of heavy atoms match
158: ok 124 # number of heavy atoms match
158: ok 125 # number of heavy atoms match
158: ok 126 # number of heavy atoms match
158: ok 127 # number of heavy atoms match
158: ok 128 # number of heavy atoms match
158: ok 129 # number of heavy atoms match
158: ok 130 # number of heavy atoms match
158: ok 131 # number of heavy atoms match
158: ok 132 # number of heavy atoms match
158: ok 133 # number of heavy atoms match
158: ok 134 # number of heavy atoms match
158: ok 135 # number of heavy atoms match
158: ok 136 # number of heavy atoms match
158: ok 137 # number of heavy atoms match
158: ok 138 # number of heavy atoms match
158: ok 139 # number of heavy atoms match
158: ok 140 # number of heavy atoms match
158: ok 141 # number of heavy atoms match
158: ok 142 # number of heavy atoms match
158: ok 143 # number of heavy atoms match
158: ok 144 # number of heavy atoms match
158: ok 145 # number of heavy atoms match
158: ok 146 # number of heavy atoms match
158: ok 147 # number of heavy atoms match
158: ok 148 # number of heavy atoms match
158: ok 149 # number of heavy atoms match
158: ok 150 # number of heavy atoms match
158: ok 151 # number of heavy atoms match
158: ok 152 # number of heavy atoms match
158: ok 153 # number of heavy atoms match
158: ok 154 # number of heavy atoms match
158: ok 155 # number of heavy atoms match
158: ok 156 # number of heavy atoms match
158: ok 157 # number of heavy atoms match
158: ok 158 # number of heavy atoms match
158: ok 159 # number of heavy atoms match
158: ok 160 # number of heavy atoms match
158: ok 161 # number of heavy atoms match
158: ok 162 # number of heavy atoms match
158: ok 163 # number of heavy atoms match
158: ok 164 # number of heavy atoms match
158: ok 165 # number of heavy atoms match
158: ok 166 # number of heavy atoms match
158: ok 167 # number of heavy atoms match
158: ok 168 # number of heavy atoms match
158: ok 169 # number of heavy atoms match
158: ok 170 # number of heavy atoms match
158: ok 171 # number of heavy atoms match
158: ok 172 # number of heavy atoms match
158: ok 173 # number of heavy atoms match
158: ok 174 # number of heavy atoms match
158: ok 175 # number of heavy atoms match
158: ok 176 # number of heavy atoms match
158: ok 177 # number of heavy atoms match
158: ok 178 # number of heavy atoms match
158: ok 179 # number of heavy atoms match
158: ok 180 # number of heavy atoms match
158: ok 181 # number of heavy atoms match
158: ok 182 # number of heavy atoms match
158: ok 183 # number of heavy atoms match
158: ok 184 # number of heavy atoms match
158: ok 185 # number of heavy atoms match
158: ok 186 # number of heavy atoms match
158: ok 187 # number of heavy atoms match
158: ok 188 # number of heavy atoms match
158: ok 189 # number of heavy atoms match
158: ok 190 # number of heavy atoms match
158: ok 191 # number of heavy atoms match
158: ok 192 # number of heavy atoms match
158: ok 193 # number of heavy atoms match
158: ok 194 # number of heavy atoms match
158: ok 195 # number of heavy atoms match
158: ok 196 # number of heavy atoms match
158: ok 197 # number of heavy atoms match
158: ok 198 # number of heavy atoms match
158: ok 199 # number of heavy atoms match
158: ok 200 # number of heavy atoms match
158: ok 201 # number of heavy atoms match
158: ok 202 # number of heavy atoms match
158: ok 203 # number of heavy atoms match
158: ok 204 # number of heavy atoms match
158: ok 205 # number of heavy atoms match
158: ok 206 # number of heavy atoms match
158: ok 207 # number of heavy atoms match
158: ok 208 # number of heavy atoms match
158: ok 209 # number of heavy atoms match
158: ok 210 # number of heavy atoms match
158: ok 211 # number of heavy atoms match
158: ok 212 # number of heavy atoms match
158: ok 213 # number of heavy atoms match
158: ok 214 # number of heavy atoms match
158: ok 215 # number of heavy atoms match
158: ok 216 # number of heavy atoms match
158: ok 217 # number of heavy atoms match
158: ok 218 # number of heavy atoms match
158: ok 219 # number of heavy atoms match
158: ok 220 # number of heavy atoms match
158: ok 221 # number of heavy atoms match
158: ok 222 # number of heavy atoms match
158: ok 223 # number of heavy atoms match
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2hxc_abn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2hxl_422.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2hxm_302.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2hxq_373.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2hxt_ehm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2hxu_lfc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2hxz_h7j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2hy0_306.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2hy8_1st.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2hz0_gin.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2hzi_jin.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2hzn_kin.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2hzy_dhj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i0e_pds.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i0g_i0g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i0v_6c3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i1m_5cn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i1r_vxr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i2b_cc5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i2c_dta.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i2d_a2d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i30_sal.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i3i_618.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i3z_lir.sdf
160: ok 1 # dipole
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i40_blz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i47_kgy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i4d_qfi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i4g_ua1.sdf
160: ok 519 # charge
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i4j_drj.sdf
155/208 Test #160: test_charge_gasteiger_1 ..........   Passed    0.19 sec
test 163
        Start 163: test_ffghemical_1
163: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "ffghemical" "1"
163: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
163: Environment variables: 
163:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
163:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
163: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i4m_psd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i4n_5ca.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i4q_ua4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i4u_djr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i5c_ip5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i5f_5ip.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i5j_k05.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i5x_ua5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i66_g1r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i66_g2r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i6a_5i5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i6b_89i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i6k_ea2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i7d_dur.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i80_g1l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2i9g_bpi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ica_2ic.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ie0_zid.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ieg_fry.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ieh_moy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2iei_frx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2iej_s48.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2igx_a1t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2igy_a2t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ihq_lg7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ihu_tp8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ihu_tp9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ihv_gva.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2iit_872.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2iiv_565.sdf
163: # Testing Ghemical Force Field...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ikg_bto.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ikh_lit.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2iki_388.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ikj_393.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2iku_liy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2il2_lix.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ilp_gb5.sdf
158: ok 224 # number of heavy atoms match
158: ok 225 # number of heavy atoms match
158: ok 226 # number of heavy atoms match
158: ok 227 # number of heavy atoms match
158: ok 228 # number of heavy atoms match
158: ok 229 # number of heavy atoms match
158: ok 230 # number of heavy atoms match
158: ok 231 # number of heavy atoms match
158: ok 232 # number of heavy atoms match
158: ok 233 # number of heavy atoms match
158: ok 234 # number of heavy atoms match
158: ok 235 # number of heavy atoms match
158: ok 236 # number of heavy atoms match
158: ok 237 # number of heavy atoms match
158: ok 238 # number of heavy atoms match
158: ok 239 # number of heavy atoms match
158: ok 240 # number of heavy atoms match
158: ok 241 # number of heavy atoms match
158: ok 242 # number of heavy atoms match
158: ok 243 # number of heavy atoms match
158: ok 244 # number of heavy atoms match
158: ok 245 # number of heavy atoms match
158: ok 246 # number of heavy atoms match
158: ok 247 # number of heavy atoms match
158: ok 248 # number of heavy atoms match
158: ok 249 # number of heavy atoms match
158: ok 250 # number of heavy atoms match
158: ok 251 # number of heavy atoms match
158: ok 252 # number of heavy atoms match
158: ok 253 # number of heavy atoms match
158: ok 254 # number of heavy atoms match
158: ok 255 # number of heavy atoms match
158: ok 256 # number of heavy atoms match
158: ok 257 # number of heavy atoms match
158: ok 258 # number of heavy atoms match
158: ok 259 # number of heavy atoms match
158: ok 260 # number of heavy atoms match
158: ok 261 # number of heavy atoms match
158: ok 262 # number of heavy atoms match
158: ok 263 # number of heavy atoms match
158: ok 264 # number of heavy atoms match
158: ok 265 # number of heavy atoms match
158: ok 266 # number of heavy atoms match
158: ok 267 # number of heavy atoms match
158: ok 268 # number of heavy atoms match
158: ok 269 # number of heavy atoms match
158: ok 270 # number of heavy atoms match
158: ok 271 # number of heavy atoms match
158: ok 272 # number of heavy atoms match
158: ok 273 # number of heavy atoms match
158: ok 274 # number of heavy atoms match
158: ok 275 # number of heavy atoms match
158: ok 276 # number of heavy atoms match
158: ok 277 # number of heavy atoms match
158: ok 278 # number of heavy atoms match
158: ok 279 # number of heavy atoms match
158: ok 280 # number of heavy atoms match
158: ok 281 # number of heavy atoms match
158: ok 282 # number of heavy atoms match
158: ok 283 # number of heavy atoms match
158: ok 284 # number of heavy atoms match
158: ok 285 # number of heavy atoms match
158: ok 286 # number of heavy atoms match
158: ok 287 # number of heavy atoms match
158: ok 288 # number of heavy atoms match
158: ok 289 # number of heavy atoms match
158: ok 290 # number of heavy atoms match
158: ok 291 # number of heavy atoms match
158: ok 292 # number of heavy atoms match
158: ok 293 # number of heavy atoms match
158: ok 294 # number of heavy atoms match
158: ok 295 # number of heavy atoms match
158: ok 296 # number of heavy atoms match
158: ok 297 # number of heavy atoms match
158: ok 298 # number of heavy atoms match
158: ok 299 # number of heavy atoms match
158: ok 300 # number of heavy atoms match
158: ok 301 # number of heavy atoms match
158: ok 302 # number of heavy atoms match
158: ok 303 # number of heavy atoms match
158: ok 304 # number of heavy atoms match
158: ok 305 # number of heavy atoms match
158: ok 306 # number of heavy atoms match
158: ok 307 # number of heavy atoms match
158: ok 308 # number of heavy atoms match
158: ok 309 # number of heavy atoms match
158: ok 310 # number of heavy atoms match
158: ok 311 # number of heavy atoms match
158: ok 312 # number of heavy atoms match
158: ok 313 # number of heavy atoms match
158: ok 314 # number of heavy atoms match
158: ok 315 # number of heavy atoms match
158: ok 316 # number of heavy atoms match
158: ok 317 # number of heavy atoms match
158: ok 318 # number of heavy atoms match
158: ok 319 # number of heavy atoms match
158: ok 320 # number of heavy atoms match
158: ok 321 # number of heavy atoms match
158: ok 322 # number of heavy atoms match
158: ok 323 # number of heavy atoms match
158: ok 324 # number of heavy atoms match
158: ok 325 # number of heavy atoms match
158: ok 326 # number of heavy atoms match
158: ok 327 # number of heavy atoms match
158: ok 328 # number of heavy atoms match
158: ok 329 # number of heavy atoms match
158: ok 330 # number of heavy atoms match
158: ok 331 # number of heavy atoms match
158: ok 332 # number of heavy atoms match
158: ok 333 # number of heavy atoms match
158: ok 334 # number of heavy atoms match
158: ok 335 # number of heavy atoms match
158: ok 336 # number of heavy atoms match
158: ok 337 # number of heavy atoms match
158: ok 338 # number of heavy atoms match
158: ok 339 # number of heavy atoms match
158: ok 340 # number of heavy atoms match
158: ok 341 # number of heavy atoms match
158: ok 342 # number of heavy atoms match
158: ok 343 # number of heavy atoms match
158: ok 344 # number of heavy atoms match
158: ok 345 # number of heavy atoms match
158: ok 346 # number of heavy atoms match
158: ok 347 # number of heavy atoms match
158: ok 348 # number of heavy atoms match
158: ok 349 # number of heavy atoms match
158: ok 350 # number of heavy atoms match
158: ok 351 # number of heavy atoms match
158: ok 352 # number of heavy atoms match
158: ok 353 # number of heavy atoms match
158: ok 354 # number of heavy atoms match
158: ok 355 # number of heavy atoms match
158: ok 356 # number of heavy atoms match
158: ok 357 # number of heavy atoms match
158: ok 358 # number of heavy atoms match
158: ok 359 # number of heavy atoms match
158: ok 360 # number of heavy atoms match
158: ok 361 # number of heavy atoms match
158: ok 362 # number of heavy atoms match
158: ok 363 # number of heavy atoms match
158: ok 364 # number of heavy atoms match
158: ok 365 # number of heavy atoms match
158: ok 366 # number of heavy atoms match
158: ok 367 # number of heavy atoms match
158: ok 368 # number of heavy atoms match
158: ok 369 # number of heavy atoms match
158: ok 370 # number of heavy atoms match
158: ok 371 # number of heavy atoms match
158: ok 372 # number of heavy atoms match
158: ok 373 # number of heavy atoms match
158: ok 374 # number of heavy atoms match
158: ok 375 # number of heavy atoms match
158: ok 376 # number of heavy atoms match
158: ok 377 # number of heavy atoms match
158: ok 378 # number of heavy atoms match
158: ok 379 # number of heavy atoms match
158: ok 380 # number of heavy atoms match
158: ok 381 # number of heavy atoms match
158: ok 382 # number of heavy atoms match
158: ok 383 # number of heavy atoms match
158: ok 384 # number of heavy atoms match
158: ok 385 # number of heavy atoms match
158: ok 386 # number of heavy atoms match
158: ok 387 # number of heavy atoms match
158: ok 388 # number of heavy atoms match
158: ok 389 # number of heavy atoms match
158: ok 390 # number of heavy atoms match
158: ok 391 # number of heavy atoms match
158: ok 392 # number of heavy atoms match
158: ok 393 # number of heavy atoms match
158: ok 394 # number of heavy atoms match
158: ok 395 # number of heavy atoms match
158: ok 396 # number of heavy atoms match
158: ok 397 # number of heavy atoms match
158: ok 398 # number of heavy atoms match
158: ok 399 # number of heavy atoms match
158: ok 400 # number of heavy atoms match
158: ok 401 # number of heavy atoms match
158: ok 402 # number of heavy atoms match
158: ok 403 # number of heavy atoms match
158: ok 404 # number of heavy atoms match
158: ok 405 # number of heavy atoms match
158: ok 406 # number of heavy atoms match
158: ok 407 # number of heavy atoms match
158: ok 408 # number of heavy atoms match
158: ok 409 # number of heavy atoms match
158: ok 410 # number of heavy atoms match
158: ok 411 # number of heavy atoms match
158: ok 412 # number of heavy atoms match
158: ok 413 # number of heavy atoms match
158: ok 414 # number of heavy atoms match
158: ok 415 # number of heavy atoms match
158: ok 416 # number of heavy atoms match
158: ok 417 # number of heavy atoms match
158: ok 418 # number of heavy atoms match
158: ok 419 # number of heavy atoms match
158: ok 420 # number of heavy atoms match
158: ok 421 # number of heavy atoms match
158: ok 422 # number of heavy atoms match
158: ok 423 # number of heavy atoms match
158: ok 424 # number of heavy atoms match
158: ok 425 # number of heavy atoms match
158: ok 426 # number of heavy atoms match
158: ok 427 # number of heavy atoms match
158: ok 428 # number of heavy atoms match
158: ok 429 # number of heavy atoms match
158: ok 430 # number of heavy atoms match
158: ok 431 # number of heavy atoms match
158: ok 432 # number of heavy atoms match
158: ok 433 # number of heavy atoms match
158: ok 434 # number of heavy atoms match
158: ok 435 # number of heavy atoms match
158: ok 436 # number of heavy atoms match
158: ok 437 # number of heavy atoms match
158: ok 438 # number of heavy atoms match
158: ok 439 # number of heavy atoms match
158: ok 440 # number of heavy atoms match
158: ok 441 # number of heavy atoms match
158: ok 442 # number of heavy atoms match
158: ok 443 # number of heavy atoms match
158: ok 444 # number of heavy atoms match
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ilt_nn1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ima_gb4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2imb_ahl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2in6_839.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2inx_ffp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2inz_ohp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2io6_330.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2iok_iok.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ipf_ffa.sdf
162: ok 1 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (102.152, -13.405,  11.295)  (102.186, -13.368,  11.304)  ( 0.03,  0.27,  0.08)
162:     bond    ( 65.430,  20.212,  18.860)  ( 65.454,  20.239,  18.862)  ( 0.04,  0.13,  0.01)
162:     angle   ( 64.222, -43.610,   6.621)  ( 64.231, -43.601,   6.623)  ( 0.01,  0.02,  0.03)
162:     torsion (  2.285,   1.864,  -9.889)  (  2.285,   1.864,  -9.885)  ( 0.01,  0.01,  0.04)
162:     oop     (  0.189,   0.204,  -0.875)  (  0.189,   0.204,  -0.875)  ( 0.00,  0.00,  0.04)
162:     vdw     (-29.752,   8.101,  -3.444)  (-29.752,   8.101,  -3.444)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.221,  -0.175,   0.022)  ( -0.221,  -0.175,   0.022)  ( 0.00,  0.00,  0.00)
162:  2       (-25.215,  10.780,  89.099)  (-25.178,  10.817,  89.109)  ( 0.15,  0.34,  0.01)
162:     bond    ( 34.767, -49.738,   0.175)  ( 34.796, -49.714,   0.179)  ( 0.08,  0.05,  0.05)
162:     angle   (-51.090,  50.603,  44.964)  (-51.083,  50.614,  44.966)  ( 0.02,  0.02,  0.00)
162:     torsion ( -1.548,  -4.298,  27.297)  ( -1.548,  -4.297,  27.301)  ( 0.01,  0.00,  0.02)
162:     oop     ( -0.242,  -0.222,   0.947)  ( -0.242,  -0.222,   0.947)  ( 0.00,  0.00,  0.01)
162:     vdw     ( -7.740,  18.047,  15.318)  ( -7.740,  18.048,  15.318)  ( 0.00,  0.01,  0.00)
162:     electro (  0.639,  -3.612,   0.399)  (  0.639,  -3.612,   0.399)  ( 0.00,  0.00,  0.00)
162:  3       (-83.042, -36.318, -41.768)  (-83.007, -36.282, -41.759)  ( 0.04,  0.10,  0.02)
162:     bond    (-76.007, -41.054, -29.725)  (-75.982, -41.028, -29.723)  ( 0.03,  0.07,  0.01)
162:     angle   (-38.446, -15.726,  -3.780)  (-38.436, -15.717,  -3.778)  ( 0.02,  0.06,  0.06)
162:     torsion (  5.065,   4.006, -19.830)  (  5.065,   4.006, -19.826)  ( 0.01,  0.00,  0.02)
162:     oop     (  0.501,   0.462,  -1.986)  (  0.501,   0.462,  -1.986)  ( 0.00,  0.00,  0.02)
162:     vdw     ( 25.385,  16.189,  13.419)  ( 25.385,  16.190,  13.419)  ( 0.00,  0.00,  0.00)
162:     electro (  0.460,  -0.195,   0.134)  (  0.460,  -0.195,   0.134)  ( 0.00,  0.00,  0.00)
162:  4       (-42.844, -11.172, -19.259)  (-42.811, -11.135, -19.250)  ( 0.08,  0.33,  0.05)
162:     bond    (-90.014,  22.518, -18.593)  (-89.992,  22.547, -18.589)  ( 0.02,  0.13,  0.02)
162:     angle   ( 16.795, -23.416,  -0.140)  ( 16.805, -23.409,  -0.139)  ( 0.06,  0.03,  0.02)
162:     torsion (  2.668,   4.258,  -3.869)  (  2.669,   4.258,  -3.865)  ( 0.01,  0.01,  0.10)
162:     oop     ( -0.169,  -0.157,   0.678)  ( -0.169,  -0.157,   0.678)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 26.874, -14.207,   2.581)  ( 26.875, -14.207,   2.581)  ( 0.00,  0.00,  0.00)
162:     electro (  1.002,  -0.167,   0.084)  (  1.002,  -0.167,   0.084)  ( 0.00,  0.00,  0.00)
162:  5       ( -1.994,  38.051,  22.985)  ( -1.964,  38.071,  22.992)  ( 1.50,  0.05,  0.03)
162:     bond    ( 11.228,  60.887,  19.043)  ( 11.255,  60.898,  19.046)  ( 0.25,  0.02,  0.02)
162:     angle   ( -4.676,   9.306,   0.092)  ( -4.674,   9.314,   0.093)  ( 0.04,  0.09,  0.00)
162:     torsion ( -3.291,  -3.459,  13.086)  ( -3.290,  -3.459,  13.089)  ( 0.01,  0.01,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -5.357, -25.900,  -8.663)  ( -5.357, -25.899,  -8.663)  ( 0.01,  0.00,  0.00)
162:     electro (  0.102,  -2.783,  -0.572)  (  0.102,  -2.783,  -0.572)  ( 0.00,  0.00,  0.00)
162:  6       ( -4.575, -67.943, -17.081)  ( -4.541, -67.907, -17.072)  ( 0.76,  0.05,  0.05)
162:     bond    ( 45.081, -31.332,   3.011)  ( 45.106, -31.304,   3.013)  ( 0.05,  0.09,  0.08)
162:     angle   (-31.327, -14.947,  -9.606)  (-31.318, -14.939,  -9.605)  ( 0.03,  0.05,  0.01)
162:     torsion (  0.284,   0.309,  -0.353)  (  0.285,   0.309,  -0.348)  ( 0.01,  0.01,  0.17)
162:     oop     ( -0.064,  -0.069,   0.294)  ( -0.064,  -0.069,   0.294)  ( 0.00,  0.00,  0.00)
162:     vdw     (-18.405, -22.065, -10.583)  (-18.404, -22.064, -10.583)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.145,   0.160,   0.156)  ( -0.145,   0.160,   0.156)  ( 0.00,  0.00,  0.00)
162:  7       ( 36.833, -39.537,  19.970)  ( 36.859, -39.512,  19.992)  ( 0.07,  0.06,  0.11)
162:     bond    ( 32.571, -25.330,  -0.204)  ( 32.588, -25.312,  -0.188)  ( 0.05,  0.07,  0.33)
162:     angle   (  4.414,  -0.479,  25.826)  (  4.421,  -0.472,  25.832)  ( 0.18,  0.32,  0.02)
162:     torsion (  0.416,   2.210,  -1.047)  (  0.417,   2.211,  -1.046)  ( 0.00,  0.00,  0.05)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.704, -15.258,  -4.685)  ( -0.704, -15.258,  -4.685)  ( 0.00,  0.00,  0.00)
162:     electro (  0.137,  -0.680,   0.080)  (  0.137,  -0.680,   0.080)  ( 0.00,  0.00,  0.00)
162:  8       ( 21.971, -40.328, -61.277)  ( 21.978, -40.307, -61.265)  ( 0.03,  0.05,  0.02)
162:     bond    ( -5.929, -10.019,  18.365)  ( -5.928, -10.000,  18.373)  ( 0.02,  0.19,  0.05)
162:     angle   ( 46.107, -45.206, -72.265)  ( 46.112, -45.204, -72.261)  ( 0.01,  0.00,  0.00)
162:     torsion ( -8.013,  -0.359,  -6.006)  ( -8.014,  -0.359,  -6.005)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -8.589,  14.436,  -2.931)  ( -8.588,  14.436,  -2.931)  ( 0.01,  0.00,  0.00)
162:     electro ( -1.604,   0.820,   1.559)  ( -1.604,   0.820,   1.559)  ( 0.00,  0.00,  0.00)
162:  9       ( -8.675, 118.199, -17.422)  ( -8.650, 118.226, -17.396)  ( 0.29,  0.02,  0.15)
162:     bond    (  8.295,  10.899, -26.302)  (  8.313,  10.916, -26.283)  ( 0.22,  0.16,  0.07)
162:     angle   (-17.304,  94.705,  14.018)  (-17.297,  94.714,  14.026)  ( 0.04,  0.01,  0.06)
162:     torsion (  3.994,  -0.046,   1.165)  (  3.994,  -0.046,   1.165)  ( 0.01,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.911,  12.378,  -5.954)  ( -3.910,  12.379,  -5.954)  ( 0.00,  0.00,  0.00)
162:     electro (  0.250,   0.263,  -0.349)  (  0.250,   0.263,  -0.349)  ( 0.00,  0.00,  0.00)
162: 10       ( 58.847,  35.904,  35.967)  ( 58.875,  35.931,  35.993)  ( 0.05,  0.08,  0.07)
162:     bond    ( 21.967,  25.002,   8.944)  ( 21.986,  25.020,   8.963)  ( 0.08,  0.07,  0.21)
162:     angle   ( 24.422,   6.592,  14.649)  ( 24.431,   6.601,  14.655)  ( 0.03,  0.13,  0.04)
162:     torsion ( -1.003,  -0.914,   4.217)  ( -1.003,  -0.914,   4.217)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.150,  -0.150,   0.657)  ( -0.150,  -0.150,   0.657)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.392,   5.370,   7.463)  ( 13.393,   5.371,   7.463)  ( 0.00,  0.01,  0.00)
162:     electro (  0.218,   0.004,   0.037)  (  0.218,   0.004,   0.037)  ( 0.00,  0.00,  0.00)
162: 11       (-73.816,  15.491,  -8.358)  (-73.788,  15.518,  -8.332)  ( 0.04,  0.18,  0.31)
162:     bond    (-49.401,  16.876,  -5.239)  (-49.382,  16.894,  -5.220)  ( 0.04,  0.11,  0.36)
162:     angle   (-11.770,   5.854,   2.961)  (-11.762,   5.863,   2.968)  ( 0.07,  0.15,  0.22)
162:     torsion (  0.420,   0.413,  -1.922)  (  0.420,   0.413,  -1.921)  ( 0.00,  0.00,  0.04)
162:     oop     ( -0.065,  -0.067,   0.286)  ( -0.065,  -0.067,   0.286)  ( 0.00,  0.00,  0.00)
162:     vdw     (-12.585,  -7.315,  -3.895)  (-12.585,  -7.314,  -3.895)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.415,  -0.270,  -0.549)  ( -0.415,  -0.270,  -0.549)  ( 0.00,  0.00,  0.00)
162: 12       (-206.624, -89.261,  -8.571)  (-206.581, -89.223,  -8.564)  ( 0.02,  0.04,  0.08)
162:     bond    (-70.340,  34.087, -12.502)  (-70.305,  34.112, -12.501)  ( 0.05,  0.07,  0.01)
162:     angle   (-122.367, -156.953,   9.517)  (-122.358, -156.940,   9.516)  ( 0.01,  0.01,  0.00)
162:     torsion ( -0.121,   0.153,   0.978)  ( -0.121,   0.154,   0.984)  ( 0.00,  0.00,  0.58)
162:     oop     (  0.003,  -0.005,  -0.029)  (  0.003,  -0.005,  -0.029)  ( 0.00,  0.00,  0.00)
162:     vdw     (-13.551,  32.310,  -6.205)  (-13.551,  32.310,  -6.205)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.249,   1.146,  -0.329)  ( -0.249,   1.146,  -0.329)  ( 0.00,  0.00,  0.00)
162: 13       (-31.232, -39.660,   2.568)  (-31.196, -39.624,   2.575)  ( 0.12,  0.09,  0.29)
162:     bond    ( 14.492, -68.239,  12.073)  ( 14.520, -68.213,  12.074)  ( 0.19,  0.04,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ipo_1ip.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2iqd_lpa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2irv_pgv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2irw_nn4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2is7_2cl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2isf_pac.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2iso_gff.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2isp_ggh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2itm_xul.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ito_ire.sdf
162:     angle   (-55.628,  15.059,  -8.063)  (-55.620,  15.068,  -8.063)  ( 0.02,  0.06,  0.00)
162:     torsion (  0.060,  -0.095,  -0.580)  (  0.060,  -0.095,  -0.574)  ( 0.00,  0.00,  0.34)
162:     oop     ( -0.011,   0.016,   0.103)  ( -0.011,   0.016,   0.104)  ( 0.00,  0.00,  0.01)
162:     vdw     ( 10.146,  13.486,  -0.949)  ( 10.146,  13.486,  -0.949)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.291,   0.114,  -0.015)  ( -0.291,   0.114,  -0.015)  ( 0.00,  0.00,  0.00)
162: 14       ( 16.764,  -3.594,   1.930)  ( 16.799,  -3.556,   1.938)  ( 0.21,  1.04,  0.42)
162:     bond    (-72.072, -22.005,  -4.451)  (-72.048, -21.975,  -4.449)  ( 0.03,  0.14,  0.04)
162:     angle   ( 55.376,  21.622,   2.672)  ( 55.386,  21.630,   2.672)  ( 0.02,  0.03,  0.01)
162:     torsion (  0.028,  -0.040,  -0.269)  (  0.028,  -0.040,  -0.263)  ( 0.00,  0.00,  0.15)
162:     oop     (  0.008,  -0.012,  -0.076)  (  0.008,  -0.012,  -0.075)  ( 0.00,  0.00,  0.01)
162:     vdw     ( 33.453,  -3.053,   4.002)  ( 33.454,  -3.053,   4.002)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.029,  -0.106,   0.051)  ( -0.029,  -0.106,   0.051)  ( 0.00,  0.00,  0.00)
162: 15       (  8.467, -15.615,   2.941)  (  8.505, -15.580,   2.949)  ( 0.44,  0.22,  0.27)
162:     bond    ( -2.650,  74.579, -11.566)  ( -2.621,  74.604, -11.565)  ( 1.11,  0.03,  0.01)
162:     angle   ( -2.162, -58.460,   8.600)  ( -2.154, -58.451,   8.601)  ( 0.36,  0.02,  0.00)
162:     torsion (  0.050,  -0.070,  -0.477)  (  0.050,  -0.070,  -0.471)  ( 0.00,  0.00,  0.26)
162:     oop     ( -0.005,   0.008,   0.050)  ( -0.005,   0.008,   0.051)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 12.804, -31.465,   6.212)  ( 12.805, -31.464,   6.211)  ( 0.00,  0.00,  0.00)
162:     electro (  0.430,  -0.207,   0.121)  (  0.430,  -0.207,   0.121)  ( 0.00,  0.00,  0.00)
162: 16       ( 63.763,  54.797,  -0.993)  ( 63.799,  54.833,  -0.985)  ( 0.06,  0.06,  0.79)
162:     bond    ( 71.764,  10.866,   5.920)  ( 71.791,  10.892,   5.922)  ( 0.04,  0.24,  0.02)
162:     angle   (  1.899,  57.441,  -7.724)  (  1.908,  57.450,  -7.724)  ( 0.47,  0.02,  0.00)
162:     torsion (  0.025,  -0.072,  -0.434)  (  0.025,  -0.072,  -0.428)  ( 0.00,  0.00,  0.26)
162:     oop     ( -0.014,   0.020,   0.131)  ( -0.014,   0.020,   0.131)  ( 0.00,  0.00,  0.01)
162:     vdw     ( -9.891, -13.625,   1.091)  ( -9.891, -13.625,   1.091)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.021,   0.167,   0.022)  ( -0.021,   0.167,   0.022)  ( 0.00,  0.00,  0.00)
162: 17       (-104.398, 269.781, -48.554)  (-104.358, 269.821, -48.545)  ( 0.04,  0.01,  0.02)
162:     bond    (-121.876,  77.612, -22.958)  (-121.848,  77.645, -22.956)  ( 0.02,  0.04,  0.01)
162:     angle   ( 52.475, 188.373, -23.225)  ( 52.487, 188.380, -23.225)  ( 0.02,  0.00,  0.00)
162:     torsion ( -0.147,   0.296,   1.932)  ( -0.147,   0.296,   1.938)  ( 0.00,  0.00,  0.34)
162:     oop     (  0.005,  -0.007,  -0.048)  (  0.005,  -0.007,  -0.048)  ( 0.00,  0.00,  0.00)
162:     vdw     (-34.504,   3.961,  -4.024)  (-34.504,   3.961,  -4.024)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.351,  -0.454,  -0.231)  ( -0.351,  -0.454,  -0.231)  ( 0.00,  0.00,  0.00)
162: 18       (266.899,  64.087,  16.746)  (266.934,  64.124,  16.749)  ( 0.01,  0.06,  0.02)
162:     bond    (132.317,  -0.927,  13.697)  (132.343,  -0.898,  13.698)  ( 0.02,  2.68,  0.01)
162:     angle   (102.842, 120.385,  -6.104)  (102.851, 120.393,  -6.104)  ( 0.01,  0.01,  0.01)
162:     torsion ( -0.378,   0.601,   4.209)  ( -0.378,   0.601,   4.211)  ( 0.00,  0.00,  0.05)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 28.720, -49.200,   2.599)  ( 28.720, -49.199,   2.599)  ( 0.00,  0.00,  0.00)
162:     electro (  3.398,  -6.773,   2.345)  (  3.398,  -6.773,   2.345)  ( 0.00,  0.00,  0.00)
162: 19       (-1538.742, 1188.788, -276.653)  (-1538.710, 1188.828, -276.640)  ( 0.00,  0.00,  0.00)
162:     bond    (-1545.879, 1191.431, -274.504)  (-1545.847, 1191.469, -274.493)  ( 0.00,  0.00,  0.00)
162:     angle   (  1.487,  -4.525,  -0.024)  (  1.487,  -4.523,  -0.023)  ( 0.01,  0.05,  0.00)
162:     torsion (  2.548,   2.036,   1.544)  (  2.548,   2.036,   1.545)  ( 0.00,  0.00,  0.07)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.143,  -0.004,  -2.932)  (  4.144,  -0.004,  -2.932)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.041,  -0.150,  -0.737)  ( -1.041,  -0.150,  -0.737)  ( 0.00,  0.00,  0.00)
162: 20       ( 86.436, 706.025, -101.088)  ( 86.458, 706.051, -101.081)  ( 0.03,  0.00,  0.01)
162:     bond    (151.196, 878.960, -118.276)  (151.217, 878.983, -118.271)  ( 0.01,  0.00,  0.00)
162:     angle   (-67.603, -173.081,  19.919)  (-67.602, -173.079,  19.919)  ( 0.00,  0.00,  0.00)
162:     torsion (  0.274,  -0.460,  -3.000)  (  0.274,  -0.460,  -2.998)  ( 0.00,  0.00,  0.06)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.533,  -0.331,  -1.224)  (  1.533,  -0.331,  -1.224)  ( 0.00,  0.00,  0.00)
162:     electro (  1.035,   0.938,   1.494)  (  1.035,   0.938,   1.494)  ( 0.00,  0.00,  0.00)
162: 21       (1495.435, -2134.121, 408.407)  (1495.458, -2134.091, 408.423)  ( 0.00,  0.00,  0.00)
162:     bond    (1489.384, -2120.756, 422.184)  (1489.406, -2120.728, 422.199)  ( 0.00,  0.00,  0.00)
162:     angle   (  4.342,  -5.879, -12.450)  (  4.342,  -5.877, -12.449)  ( 0.01,  0.02,  0.01)
162:     torsion (  1.876,  -6.333,   0.144)  (  1.876,  -6.333,   0.145)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.735,  -1.231,  -1.506)  (  2.735,  -1.231,  -1.506)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.902,   0.078,   0.035)  ( -2.902,   0.078,   0.035)  ( 0.00,  0.00,  0.00)
162: 22       (-51.923,  27.002,   1.657)  (-51.916,  27.014,   1.659)  ( 0.01,  0.05,  0.06)
162:     bond    (-20.900, -26.742,  -4.766)  (-20.893, -26.730,  -4.766)  ( 0.03,  0.04,  0.01)
162:     angle   ( -5.057,   1.912,  11.443)  ( -5.057,   1.912,  11.444)  ( 0.00,  0.00,  0.01)
162:     torsion ( -3.586,   3.178,  -2.103)  ( -3.586,   3.178,  -2.103)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-31.069,  49.001,  -3.748)  (-31.068,  49.002,  -3.748)  ( 0.00,  0.00,  0.00)
162:     electro (  8.688,  -0.348,   0.831)  (  8.688,  -0.348,   0.831)  ( 0.00,  0.00,  0.00)
162: 23       ( -3.878,   2.588,  -1.893)  ( -3.870,   2.596,  -1.891)  ( 0.23,  0.31,  0.13)
162:     bond    ( -0.574,  -0.525,  -0.252)  ( -0.566,  -0.519,  -0.250)  ( 0.40,  0.31,  0.03)
162:     angle   ( -5.635,   6.083,   0.123)  ( -5.633,   6.085,   0.123)  ( 0.03,  0.03,  0.00)
162:     torsion (  0.329,   0.326,  -1.421)  (  0.329,   0.326,  -1.420)  ( 0.00,  0.00,  0.07)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.425,  -3.472,  -0.465)  (  2.425,  -3.472,  -0.465)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.424,   0.176,   0.122)  ( -0.424,   0.176,   0.122)  ( 0.00,  0.00,  0.00)
162: 24       (  7.995,   5.188,  -8.011)  (  7.998,   5.202,  -8.008)  ( 0.04,  0.26,  0.03)
162:     bond    (  1.778,   9.862,  -1.175)  (  1.779,   9.875,  -1.175)  ( 0.03,  0.14,  0.02)
162:     angle   (  5.650,  -2.229, -10.182)  (  5.652,  -2.229, -10.180)  ( 0.04,  0.01,  0.02)
162:     torsion ( -3.745,   0.362,  -2.628)  ( -3.745,   0.362,  -2.628)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.871,  -2.924,   6.832)  (  3.871,  -2.924,   6.832)  ( 0.01,  0.00,  0.00)
162:     electro (  0.441,   0.118,  -0.859)  (  0.441,   0.118,  -0.859)  ( 0.00,  0.00,  0.00)
162: 25       (  3.805,   6.261,  -9.494)  (  3.810,   6.265,  -9.483)  ( 0.15,  0.06,  0.11)
162:     bond    ( -0.049,  -0.029,  -0.085)  ( -0.046,  -0.027,  -0.075)  ( 0.02,  0.00,  0.08)
162:     angle   ( -0.551,  24.710,  -8.633)  ( -0.549,  24.712,  -8.632)  ( 0.12,  0.01,  0.01)
162:     torsion (  1.574,  -4.084,   0.532)  (  1.574,  -4.084,   0.532)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.456, -13.791,  -0.063)  (  2.456, -13.791,  -0.063)  ( 0.00,  0.00,  0.00)
162:     electro (  0.375,  -0.545,  -1.244)  (  0.375,  -0.545,  -1.244)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2itq_itq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2iu3_203.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2iux_nxa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2iuz_d1h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ivd_acj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ive_twn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ivi_acw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ivj_bcv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ivs_ack.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ivu_zd6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2iw6_qq2.sdf
162: 26       ( -4.871, -15.773,  15.087)  ( -4.869, -15.767,  15.097)  ( 0.05,  0.04,  0.07)
162:     bond    ( -2.603,   5.540,   8.677)  ( -2.602,   5.544,   8.687)  ( 0.03,  0.07,  0.11)
162:     angle   ( -3.041, -32.251,  19.671)  ( -3.039, -32.249,  19.672)  ( 0.06,  0.01,  0.00)
162:     torsion ( -1.919,   0.000,  -0.575)  ( -1.919,   0.000,  -0.575)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.187,  10.150, -11.492)  (  2.187,  10.150, -11.491)  ( 0.00,  0.00,  0.00)
162:     electro (  0.505,   0.787,  -1.195)  (  0.505,   0.787,  -1.195)  ( 0.00,  0.00,  0.00)
162: 27       (  1.735,  -0.888,   2.081)  (  1.744,  -0.882,   2.084)  ( 0.55,  0.54,  0.14)
162:     bond    (  2.163,  -1.595,   0.593)  (  2.172,  -1.591,   0.594)  ( 0.40,  0.29,  0.04)
162:     angle   ( -1.176,  -1.400,   0.551)  ( -1.175,  -1.398,   0.553)  ( 0.07,  0.10,  0.13)
162:     torsion (  0.730,   1.478,   1.289)  (  0.730,   1.478,   1.289)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.029,  -0.328,   0.071)  ( -0.029,  -0.328,   0.071)  ( 0.00,  0.00,  0.00)
162:     electro (  0.046,   0.956,  -0.422)  (  0.046,   0.956,  -0.422)  ( 0.00,  0.00,  0.00)
162: 28       (  0.954,  -5.346,  -0.633)  (  0.963,  -5.340,  -0.630)  ( 0.87,  0.12,  0.21)
162:     bond    ( -2.542,  -1.968,  -0.836)  ( -2.534,  -1.963,  -0.835)  ( 0.32,  0.25,  0.08)
162:     angle   (  2.418,  -3.758,   1.489)  (  2.418,  -3.757,   1.492)  ( 0.04,  0.04,  0.16)
162:     torsion (  0.984,  -1.067,  -0.477)  (  0.984,  -1.067,  -0.477)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.212,   0.467,  -0.324)  ( -0.212,   0.467,  -0.324)  ( 0.00,  0.00,  0.00)
162:     electro (  0.307,   0.980,  -0.486)  (  0.307,   0.980,  -0.486)  ( 0.00,  0.00,  0.00)
162: 29       ( -2.244,   1.339,  -9.097)  ( -2.236,   1.344,  -9.091)  ( 0.34,  0.43,  0.06)
162:     bond    ( -1.127,   0.796,  -0.929)  ( -1.120,   0.799,  -0.925)  ( 0.57,  0.26,  0.41)
162:     angle   ( -2.303, -19.066, -13.691)  ( -2.302, -19.064, -13.690)  ( 0.05,  0.01,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.469,  18.917,   5.895)  (  1.469,  18.918,   5.895)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.283,   0.691,  -0.371)  ( -0.283,   0.691,  -0.371)  ( 0.00,  0.00,  0.00)
162: 30       (  0.093,  -0.960,   8.322)  (  0.098,  -0.956,   8.332)  ( 0.05,  0.39,  0.12)
162:     bond    ( -3.132,  -2.734,   5.362)  ( -3.129,  -2.732,   5.371)  ( 0.10,  0.08,  0.17)
162:     angle   (  3.096,   1.352,   2.493)  (  3.098,   1.354,   2.493)  ( 0.06,  0.13,  0.04)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.323,   0.789,   0.324)  (  0.323,   0.789,   0.324)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.194,  -0.368,   0.143)  ( -0.194,  -0.368,   0.143)  ( 0.00,  0.00,  0.00)
162: 31       (  1.164,  -3.174,  -9.797)  (  1.168,  -3.165,  -9.791)  ( 0.37,  0.27,  0.06)
162:     bond    (  2.928,  -6.193,  -4.835)  (  2.929,  -6.186,  -4.831)  ( 0.06,  0.12,  0.10)
162:     angle   (-14.636,   2.588, -12.191)  (-14.634,   2.589, -12.190)  ( 0.01,  0.04,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 14.644,   0.498,   7.769)  ( 14.645,   0.498,   7.769)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.773,  -0.066,  -0.540)  ( -1.773,  -0.066,  -0.540)  ( 0.00,  0.00,  0.00)
162: 32       (  8.966,   3.718,  -1.249)  (  8.973,   3.727,  -1.247)  ( 0.08,  0.24,  0.18)
162:     bond    (  5.952,   6.761,   1.241)  (  5.959,   6.769,   1.242)  ( 0.10,  0.12,  0.02)
162:     angle   (  9.189,  -7.564,  -2.877)  (  9.190,  -7.563,  -2.875)  ( 0.01,  0.01,  0.07)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.465,   3.912,   0.042)  ( -6.465,   3.912,   0.042)  ( 0.00,  0.00,  0.00)
162:     electro (  0.289,   0.609,   0.344)  (  0.289,   0.609,   0.344)  ( 0.00,  0.00,  0.00)
162: 33       (  4.858,   2.418,  -8.841)  (  4.862,   2.423,  -8.831)  ( 0.07,  0.22,  0.11)
162:     bond    (  2.541,  -4.385,  -6.934)  (  2.542,  -4.381,  -6.924)  ( 0.05,  0.08,  0.13)
162:     angle   (  6.028,   7.272,  -2.389)  (  6.030,   7.274,  -2.388)  ( 0.03,  0.02,  0.03)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -5.260,  -1.149,   0.216)  ( -5.260,  -1.149,   0.216)  ( 0.00,  0.00,  0.00)
162:     electro (  1.549,   0.680,   0.265)  (  1.549,   0.680,   0.265)  ( 0.00,  0.00,  0.00)
162: 34       ( -0.628,   0.434,   8.528)  ( -0.625,   0.440,   8.538)  ( 0.16,  0.28,  0.11)
162:     bond    (  0.251,  -3.966,   5.301)  (  0.251,  -3.961,   5.311)  ( 0.00,  0.13,  0.17)
162:     angle   (  0.170,   4.417,   3.287)  (  0.173,   4.419,   3.287)  ( 0.04,  0.03,  0.02)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.706,  -0.232,  -1.036)  ( -1.706,  -0.232,  -1.036)  ( 0.00,  0.00,  0.00)
162:     electro (  0.657,   0.214,   0.976)  (  0.657,   0.214,   0.976)  ( 0.00,  0.00,  0.00)
162: 35       (  8.248,   6.901,  -0.584)  (  8.255,   6.911,  -0.583)  ( 0.09,  0.15,  0.09)
162:     bond    (  5.924,   8.036,  -0.594)  (  5.929,   8.045,  -0.594)  ( 0.08,  0.12,  0.00)
162:     angle   (  1.921,  -1.386,   0.451)  (  1.924,  -1.384,   0.451)  ( 0.12,  0.08,  0.00)
162:     torsion (  0.038,  -0.054,  -0.357)  (  0.038,  -0.054,  -0.355)  ( 0.00,  0.00,  0.05)
162:     oop     (  0.004,  -0.006,  -0.040)  (  0.004,  -0.006,  -0.040)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.584,   0.227,   0.036)  (  0.584,   0.227,   0.036)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.224,   0.084,  -0.081)  ( -0.224,   0.084,  -0.081)  ( 0.00,  0.00,  0.00)
162: 36       (-11.234,   3.388,  -2.136)  (-11.220,   3.392,  -2.134)  ( 0.13,  0.11,  0.08)
162:     bond    (-12.281,   1.560,  -1.568)  (-12.267,   1.560,  -1.568)  ( 0.11,  0.02,  0.02)
162:     angle   (  0.218,   1.503,  -0.206)  (  0.218,   1.506,  -0.206)  ( 0.00,  0.22,  0.00)
162:     torsion (  0.040,  -0.057,  -0.375)  (  0.040,  -0.057,  -0.373)  ( 0.00,  0.00,  0.05)
162:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.007)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.374,   0.156,   0.019)  (  0.374,   0.156,   0.019)  ( 0.00,  0.00,  0.00)
162:     electro (  0.414,   0.226,  -0.013)  (  0.414,   0.226,  -0.013)  ( 0.00,  0.00,  0.00)
162: 37       ( -7.663,   9.470,  -2.292)  ( -7.657,   9.482,  -2.290)  ( 0.07,  0.13,  0.08)
162:     bond    ( -5.129,  11.363,  -2.288)  ( -5.126,  11.374,  -2.287)  ( 0.05,  0.10,  0.02)
162:     angle   ( -2.392,  -1.097,  -0.098)  ( -2.389,  -1.097,  -0.098)  ( 0.12,  0.05,  0.00)
162:     torsion ( -0.006,   0.008,   0.049)  ( -0.006,   0.008,   0.051)  ( 0.00,  0.00,  0.01)
162:     oop     (  0.004,  -0.005,  -0.036)  (  0.004,  -0.005,  -0.036)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.035,  -0.400,   0.057)  ( -0.035,  -0.400,   0.057)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.105,  -0.398,   0.023)  ( -0.105,  -0.398,   0.023)  ( 0.00,  0.00,  0.00)
162: 38       ( -7.103,  -7.577,   1.149)  ( -7.095,  -7.567,   1.150)  ( 0.10,  0.14,  0.13)
162:     bond    ( -6.172,  -8.092,   0.595)  ( -6.167,  -8.083,   0.595)  ( 0.09,  0.11,  0.00)
162:     angle   ( -0.200,   0.150,   0.009)  ( -0.197,   0.151,   0.009)  ( 0.04,  0.02,  0.00)
162:     torsion ( -0.081,   0.120,   0.791)  ( -0.081,   0.120,   0.793)  ( 0.00,  0.00,  0.11)
162:     oop     (  0.007,  -0.010,  -0.065)  (  0.007,  -0.010,  -0.065)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.021,  -0.614,   0.092)  ( -0.021,  -0.614,   0.092)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2iwe_2ih.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2iwi_hb1.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 8 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2iws_np4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2iwu_np5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2iwx_m1s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2izk_gll.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2izr_brk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2izs_brq.sdf
162:     electro ( -0.636,   0.869,  -0.272)  ( -0.636,   0.869,  -0.272)  ( 0.00,  0.00,  0.00)
162: 39       ( 14.544, -46.771,   5.984)  ( 14.549, -46.755,   5.985)  ( 0.03,  0.03,  0.02)
162:     bond    (-11.935, -42.857,   4.341)  (-11.933, -42.841,   4.341)  ( 0.01,  0.04,  0.01)
162:     angle   ( 34.112,  -9.074,   4.235)  ( 34.116,  -9.073,   4.235)  ( 0.01,  0.00,  0.00)
162:     torsion (  0.147,  -0.213,  -1.697)  (  0.147,  -0.213,  -1.696)  ( 0.00,  0.00,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.255,  -1.843,   0.086)  (  2.255,  -1.843,   0.086)  ( 0.00,  0.00,  0.00)
162:     electro (-10.036,   7.216,  -0.981)  (-10.036,   7.216,  -0.980)  ( 0.00,  0.00,  0.00)
162: ok 2 # gradients 
162: ok 3 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       ( -2.416,   1.336,  -0.580)  ( -2.381,   1.366,  -0.572)  ( 1.47,  2.25,  0.45)
162:     bond    (  1.668,   2.101,   0.514)  (  1.697,   2.122,   0.516)  ( 1.75,  1.00,  0.10)
162:     angle   ( -2.813,   0.148,  -0.737)  ( -2.807,   0.157,  -0.737)  ( 0.22,  0.13,  0.03)
162:     torsion ( -0.004,  -0.000,   0.007)  ( -0.003,  -0.000,   0.013)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.503,  -0.363,  -0.145)  ( -0.503,  -0.363,  -0.145)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.764,  -0.550,  -0.219)  ( -0.764,  -0.550,  -0.219)  ( 0.00,  0.00,  0.00)
162:  2       (-20.144, -28.711,  -6.120)  (-20.107, -28.679,  -6.117)  ( 0.18,  0.11,  0.05)
162:     bond    (-23.264, -13.153,  -6.554)  (-23.234, -13.130,  -6.552)  ( 0.13,  0.17,  0.03)
162:     angle   (  3.116, -15.559,   0.458)  (  3.122, -15.549,   0.455)  ( 0.20,  0.06,  0.16)
162:     torsion (  0.005,   0.001,  -0.024)  (  0.005,   0.001,  -0.020)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  3       ( -4.496,  -1.207,  -1.210)  ( -4.490,  -1.196,  -1.209)  ( 0.14,  0.89,  0.14)
162:     bond    ( -1.865,  -2.844,  -0.582)  ( -1.861,  -2.835,  -0.582)  ( 0.23,  0.34,  0.02)
162:     angle   ( -1.717,   1.210,  -0.414)  ( -1.715,   1.211,  -0.414)  ( 0.12,  0.08,  0.01)
162:     torsion ( -0.004,  -0.000,   0.013)  ( -0.004,  -0.000,   0.014)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.757,   0.117,  -0.196)  ( -0.757,   0.117,  -0.196)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.153,   0.311,  -0.031)  ( -0.153,   0.311,  -0.031)  ( 0.00,  0.00,  0.00)
162:  4       ( -0.619,   3.694,  -0.063)  ( -0.613,   3.706,  -0.062)  ( 0.34,  0.32,  0.01)
162:     bond    ( -0.396,   0.739,  -0.080)  ( -0.393,   0.750,  -0.080)  ( 0.12,  0.83,  0.00)
162:     angle   (  4.743,   2.628,   1.337)  (  4.745,   2.629,   1.337)  ( 0.05,  0.03,  0.01)
162:     torsion (  0.005,   0.001,  -0.019)  (  0.005,   0.001,  -0.018)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -5.367,  -0.181,  -1.422)  ( -5.367,  -0.181,  -1.422)  ( 0.00,  0.00,  0.00)
162:     electro (  0.397,   0.506,   0.121)  (  0.397,   0.506,   0.121)  ( 0.00,  0.00,  0.00)
162:  5       ( 14.833,  -8.003,   3.652)  ( 14.839,  -7.991,   3.654)  ( 0.04,  0.15,  0.04)
162:     bond    (  6.026, -12.251,   1.200)  (  6.028, -12.240,   1.200)  ( 0.05,  0.09,  0.00)
162:     angle   (  7.069,   3.677,   1.984)  (  7.072,   3.677,   1.984)  ( 0.04,  0.02,  0.01)
162:     torsion (  0.002,   0.000,  -0.009)  (  0.002,   0.000,  -0.008)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.795,  -0.091,   0.207)  (  0.795,  -0.091,   0.207)  ( 0.00,  0.00,  0.00)
162:     electro (  0.941,   0.663,   0.270)  (  0.941,   0.663,   0.270)  ( 0.00,  0.00,  0.00)
162:  6       ( 84.204, 153.028,  26.891)  ( 84.228, 153.069,  26.875)  ( 0.03,  0.03,  0.06)
162:     bond    ( 97.856, 137.509,  30.243)  ( 97.875, 137.547,  30.246)  ( 0.02,  0.03,  0.01)
162:     angle   (-19.851,  15.136,  -5.020)  (-19.847,  15.139,  -5.039)  ( 0.02,  0.02,  0.37)
162:     torsion ( -0.005,  -0.001,   0.018)  ( -0.005,  -0.001,   0.018)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.516,   0.198,   1.462)  (  5.516,   0.198,   1.462)  ( 0.00,  0.00,  0.00)
162:     electro (  0.688,   0.186,   0.188)  (  0.688,   0.186,   0.188)  ( 0.00,  0.00,  0.00)
162:  7       (-71.490, -120.302, -22.565)  (-71.475, -120.275, -22.569)  ( 0.02,  0.02,  0.02)
162:     bond    (-80.126, -112.242, -24.749)  (-80.112, -112.215, -24.747)  ( 0.02,  0.02,  0.01)
162:     angle   (  9.429,  -7.265,   2.419)  (  9.430,  -7.264,   2.413)  ( 0.01,  0.01,  0.23)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.316,   0.320,   0.094)  (  0.316,   0.320,   0.094)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.109,  -1.116,  -0.328)  ( -1.109,  -1.116,  -0.328)  ( 0.00,  0.00,  0.00)
162: ok 4 # gradients 
162: ok 5 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (-15.578,  12.843, -21.710)  (-15.551,  12.869, -21.683)  ( 0.17,  0.20,  0.12)
162:     bond    (-23.897,   0.009,  -0.241)  (-23.879,   0.028,  -0.222)  ( 0.08,  0.02,  0.45)
162:     angle   (  9.184,   9.468, -16.237)  (  9.192,   9.475, -16.229)  ( 0.09,  0.07,  0.05)
162:     torsion ( -0.724,   3.315,  -5.141)  ( -0.724,   3.316,  -5.141)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.085,  -0.028,   0.049)  (  0.085,  -0.028,   0.049)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.226,   0.080,  -0.140)  ( -0.226,   0.080,  -0.140)  ( 0.00,  0.00,  0.00)
162:  2       ( 66.444, -20.112,  34.103)  ( 66.479, -20.099,  34.137)  ( 0.05,  0.07,  0.10)
162:     bond    ( 80.756,  -4.206,   7.454)  ( 80.781,  -4.197,   7.481)  ( 0.03,  0.23,  0.37)
162:     angle   (-14.451, -14.681,  25.955)  (-14.441, -14.678,  25.961)  ( 0.07,  0.02,  0.02)
162:     torsion (  0.139,  -1.225,   0.694)  (  0.139,  -1.224,   0.694)  ( 0.00,  0.09,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  3       (-29.182, -26.066,  44.177)  (-29.173, -26.060,  44.194)  ( 0.03,  0.02,  0.04)
162:     bond    (-25.038, -24.585,  42.258)  (-25.032, -24.579,  42.274)  ( 0.02,  0.02,  0.04)
162:     angle   ( -9.303,   2.374,  -4.127)  ( -9.300,   2.375,  -4.126)  ( 0.03,  0.01,  0.02)
162:     torsion (  0.000,  -0.282,  -0.164)  (  0.000,  -0.282,  -0.164)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.203,   0.230,  -0.381)  (  5.203,   0.230,  -0.381)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.044,  -3.803,   6.591)  ( -0.044,  -3.803,   6.591)  ( 0.00,  0.00,  0.00)
162:  4       ( 24.918,  38.241, -61.839)  ( 24.953,  38.251, -61.810)  ( 0.14,  0.03,  0.05)
162:     bond    (-28.645,  29.006, -49.921)  (-28.619,  29.013, -49.899)  ( 0.09,  0.03,  0.04)
162:     angle   ( 48.649,   7.158, -13.750)  ( 48.659,   7.159, -13.745)  ( 0.02,  0.02,  0.04)
162:     torsion (  0.017,   2.352,   1.351)  (  0.017,   2.354,   1.352)  ( 0.00,  0.07,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  7.319,  -0.635,   1.111)  (  7.319,  -0.635,   1.111)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2izu_p01.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j08_irf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j14_gni.sdf
162:     electro ( -2.422,   0.360,  -0.629)  ( -2.422,   0.360,  -0.629)  ( 0.00,  0.00,  0.00)
162:  5       (-21.265,   6.874, -14.158)  (-21.258,   6.878, -14.147)  ( 0.03,  0.06,  0.08)
162:     bond    (  1.241,   1.282,  -2.290)  (  1.244,   1.286,  -2.280)  ( 0.26,  0.26,  0.46)
162:     angle   (-24.505,   6.123,  -9.921)  (-24.502,   6.123,  -9.921)  ( 0.01,  0.00,  0.00)
162:     torsion ( -0.015,  -1.247,  -0.712)  ( -0.015,  -1.247,  -0.712)  ( 0.00,  0.04,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.129,   0.078,  -0.137)  ( -0.129,   0.078,  -0.137)  ( 0.00,  0.00,  0.00)
162:     electro (  2.143,   0.638,  -1.097)  (  2.143,   0.638,  -1.097)  ( 0.00,  0.00,  0.00)
162:  6       ( -9.157,  -4.798,   7.257)  ( -9.140,  -4.797,   7.260)  ( 0.19,  0.03,  0.04)
162:     bond    ( -9.043,  -0.339,   0.462)  ( -9.026,  -0.339,   0.462)  ( 0.19,  0.00,  0.00)
162:     angle   (  0.755,  -5.921,  10.394)  (  0.755,  -5.921,  10.396)  ( 0.00,  0.02,  0.03)
162:     torsion (  0.003,  -0.460,  -0.269)  (  0.003,  -0.459,  -0.269)  ( 0.00,  0.02,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.127,   0.070,  -0.122)  ( -0.127,   0.070,  -0.122)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.745,   1.852,  -3.207)  ( -0.745,   1.852,  -3.207)  ( 0.00,  0.00,  0.00)
162:  7       ( -5.958,   3.771,   5.961)  ( -5.955,   3.784,   5.963)  ( 0.06,  0.35,  0.04)
162:     bond    (  0.880,   2.996,  -0.063)  (  0.882,   3.009,  -0.063)  ( 0.10,  0.43,  0.00)
162:     angle   ( -3.718,   1.192,   4.962)  ( -3.716,   1.192,   4.964)  ( 0.06,  0.01,  0.04)
162:     torsion (  0.288,  -0.026,   2.823)  (  0.288,  -0.026,   2.823)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.634,  -0.831,  -1.163)  ( -3.634,  -0.831,  -1.163)  ( 0.00,  0.00,  0.00)
162:     electro (  0.226,   0.440,  -0.598)  (  0.226,   0.440,  -0.598)  ( 0.00,  0.00,  0.00)
162:  8       ( -5.916,  -7.067,  -0.309)  ( -5.912,  -7.062,  -0.298)  ( 0.06,  0.06,  0.33)
162:     bond    (  0.875,  -1.405,  -2.611)  (  0.876,  -1.402,  -2.601)  ( 0.10,  0.21,  0.39)
162:     angle   ( -3.642,  -4.939,   1.435)  ( -3.639,  -4.938,   1.436)  ( 0.06,  0.03,  0.04)
162:     torsion (  0.292,  -2.437,   1.412)  (  0.292,  -2.437,   1.412)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.658,   1.415,   0.141)  ( -3.658,   1.415,   0.141)  ( 0.00,  0.00,  0.00)
162:     electro (  0.217,   0.299,  -0.686)  (  0.217,   0.299,  -0.686)  ( 0.00,  0.00,  0.00)
162:  9       ( -4.447,  -3.770,   6.375)  ( -4.443,  -3.765,   6.384)  ( 0.11,  0.12,  0.15)
162:     bond    (  2.770,  -2.821,   4.838)  (  2.773,  -2.818,   4.847)  ( 0.10,  0.10,  0.18)
162:     angle   ( -3.009,  -0.788,   1.262)  ( -3.008,  -0.787,   1.263)  ( 0.06,  0.13,  0.07)
162:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -5.059,  -0.299,   0.503)  ( -5.059,  -0.299,   0.503)  ( 0.00,  0.00,  0.00)
162:     electro (  0.851,   0.134,  -0.232)  (  0.851,   0.134,  -0.232)  ( 0.00,  0.00,  0.00)
162: ok 6 # gradients 
162: ok 7 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       ( 67.160,   2.206,  24.780)  ( 67.186,   2.233,  24.806)  ( 0.04,  1.22,  0.10)
162:     bond    ( 22.644, -16.648,  11.930)  ( 22.661, -16.629,  11.948)  ( 0.08,  0.11,  0.15)
162:     angle   ( 37.185,  11.973,   6.180)  ( 37.193,  11.982,   6.187)  ( 0.02,  0.07,  0.12)
162:     torsion ( -1.785,   2.458,   6.015)  ( -1.785,   2.458,   6.015)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  8.865,   3.684,   0.918)  (  8.865,   3.684,   0.918)  ( 0.00,  0.00,  0.00)
162:     electro (  0.251,   0.738,  -0.263)  (  0.251,   0.738,  -0.263)  ( 0.00,  0.00,  0.00)
162:  2       (-54.056, -12.659, -38.296)  (-54.035, -12.646, -38.291)  ( 0.04,  0.10,  0.01)
162:     bond    (-48.851,  -1.807, -13.473)  (-48.831,  -1.800, -13.471)  ( 0.04,  0.40,  0.02)
162:     angle   (-10.253,  -3.726,  -7.605)  (-10.252,  -3.720,  -7.603)  ( 0.01,  0.15,  0.03)
162:     torsion (  5.048,  -7.126, -17.218)  (  5.048,  -7.126, -17.217)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  3       ( -9.462,   3.054,  -6.871)  ( -9.460,   3.067,  -6.868)  ( 0.03,  0.45,  0.04)
162:     bond    (  0.187,   4.023,   0.769)  (  0.187,   4.037,   0.769)  ( 0.00,  0.34,  0.04)
162:     angle   (-24.568,   2.112,  -5.117)  (-24.566,   2.112,  -5.115)  ( 0.01,  0.00,  0.04)
162:     torsion (  2.570,   0.608,  -3.814)  (  2.570,   0.608,  -3.814)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  9.035,  -3.284,   1.316)  (  9.036,  -3.284,   1.316)  ( 0.00,  0.00,  0.00)
162:     electro (  3.314,  -0.405,  -0.025)  (  3.314,  -0.405,  -0.025)  ( 0.00,  0.00,  0.00)
162:  4       ( -0.929,   4.323,   5.355)  ( -0.918,   4.327,   5.359)  ( 1.02,  0.09,  0.07)
162:     bond    ( -2.129,  -0.870,   0.925)  ( -2.119,  -0.868,   0.927)  ( 0.49,  0.15,  0.18)
162:     angle   ( -0.029,   1.460,   1.303)  ( -0.028,   1.462,   1.305)  ( 0.00,  0.14,  0.14)
162:     torsion (  0.179,   3.113,   3.325)  (  0.179,   3.114,   3.325)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.066,  -0.008,  -0.008)  ( -0.066,  -0.008,  -0.008)  ( 0.00,  0.00,  0.00)
162:     electro (  1.117,   0.628,  -0.190)  (  1.117,   0.628,  -0.190)  ( 0.00,  0.00,  0.00)
162:  5       ( -7.077,  -6.899,   0.843)  ( -7.075,  -6.896,   0.857)  ( 0.03,  0.04,  1.16)
162:     bond    (  0.021,  -0.314,  -1.873)  (  0.021,  -0.313,  -1.860)  ( 0.00,  0.01,  0.73)
162:     angle   ( -6.502,  -3.846,   0.573)  ( -6.499,  -3.843,   0.573)  ( 0.03,  0.06,  0.00)
162:     torsion ( -2.778,  -3.682,   0.588)  ( -2.778,  -3.682,   0.588)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.685,   0.034,   0.553)  (  0.685,   0.034,   0.553)  ( 0.00,  0.00,  0.00)
162:     electro (  1.496,   0.908,   1.002)  (  1.496,   0.908,   1.002)  ( 0.00,  0.00,  0.00)
162:  6       (-17.237,  28.530,  -1.904)  (-17.205,  28.562,  -1.894)  ( 0.19,  0.11,  0.55)
162:     bond    ( -4.210,  31.977, -15.446)  ( -4.178,  32.002, -15.437)  ( 0.75,  0.08,  0.06)
162:     angle   (  1.764, -12.053,   5.716)  (  1.765, -12.047,   5.717)  ( 0.01,  0.05,  0.02)
162:     torsion ( -3.310,   4.741,  11.339)  ( -3.310,   4.741,  11.339)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -7.040,   3.119,  -1.982)  ( -7.040,   3.120,  -1.982)  ( 0.00,  0.00,  0.00)
162:     electro ( -4.442,   0.747,  -1.531)  ( -4.442,   0.747,  -1.531)  ( 0.00,  0.00,  0.00)
162:  7       ( 39.537, -11.561,  18.250)  ( 39.556, -11.555,  18.255)  ( 0.05,  0.05,  0.03)
162:     bond    ( 32.188, -14.882,  16.406)  ( 32.207, -14.877,  16.411)  ( 0.06,  0.03,  0.03)
162:     angle   (  2.414,   4.058,  -1.058)  (  2.414,   4.059,  -1.058)  ( 0.02,  0.04,  0.01)
162:     torsion ( -0.273,   0.396,   0.895)  ( -0.273,   0.396,   0.895)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.203,  -0.065,   0.084)  (  0.203,  -0.065,   0.084)  ( 0.00,  0.00,  0.00)
162:     electro (  5.005,  -1.067,   1.924)  (  5.005,  -1.067,   1.924)  ( 0.00,  0.00,  0.00)
162:  8       (-18.049,  -7.109,  -2.227)  (-18.049,  -7.091,  -2.224)  ( 0.00,  0.24,  0.17)
162:     bond    (  0.051,  -1.569,   0.709)  (  0.051,  -1.551,   0.712)  ( 0.00,  1.10,  0.26)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j2i_ly4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j2p_sc2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j2u_gsq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j34_gs6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j38_gs5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j3k_hne.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j3q_tfl.sdf
162:     angle   ( -0.026,  -0.004,  -0.006)  ( -0.026,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
162:     torsion (  0.349,  -0.508,  -1.131)  (  0.349,  -0.508,  -1.131)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-11.682,  -3.480,  -0.882)  (-11.682,  -3.480,  -0.882)  ( 0.00,  0.00,  0.00)
162:     electro ( -6.742,  -1.548,  -0.918)  ( -6.742,  -1.548,  -0.918)  ( 0.00,  0.00,  0.00)
162: ok 8 # gradients 
162: ok 9 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       ( 52.387, -74.873, 129.946)  ( 52.410, -74.851, 129.962)  ( 0.04,  0.03,  0.01)
162:     bond    ( 44.647, -63.177, 109.681)  ( 44.664, -63.162, 109.690)  ( 0.04,  0.02,  0.01)
162:     angle   (  7.753, -11.692,  20.276)  (  7.758, -11.686,  20.282)  ( 0.07,  0.05,  0.03)
162:     torsion ( -0.013,  -0.004,  -0.010)  ( -0.013,  -0.004,  -0.010)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  2       ( -3.482,   5.998, -10.520)  ( -3.455,   6.026, -10.493)  ( 0.79,  0.46,  0.26)
162:     bond    ( -2.128,   0.003,   0.008)  ( -2.108,   0.023,   0.029)  ( 0.92,  0.01,  0.02)
162:     angle   ( -6.969,   4.291,  -7.559)  ( -6.962,   4.299,  -7.552)  ( 0.11,  0.18,  0.09)
162:     torsion ( -0.000,   0.006,  -0.002)  (  0.000,   0.006,  -0.002)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.786,   1.739,  -3.039)  (  5.786,   1.739,  -3.039)  ( 0.00,  0.01,  0.00)
162:     electro ( -0.172,  -0.041,   0.071)  ( -0.172,  -0.041,   0.071)  ( 0.00,  0.00,  0.00)
162:  3       (-13.747,   4.615, -10.582)  (-13.719,   4.643, -10.554)  ( 0.21,  0.59,  0.26)
162:     bond    (  0.559,   1.981,  -0.095)  (  0.579,   2.001,  -0.075)  ( 1.12,  0.99,  0.19)
162:     angle   ( -1.658,   7.834,  -7.537)  ( -1.651,   7.842,  -7.530)  ( 0.46,  0.10,  0.09)
162:     torsion (  0.006,  -0.002,   0.014)  (  0.006,  -0.002,   0.014)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-12.755,  -5.343,  -3.034)  (-12.755,  -5.343,  -3.034)  ( 0.00,  0.00,  0.00)
162:     electro (  0.101,   0.145,   0.071)  (  0.101,   0.145,   0.071)  ( 0.00,  0.00,  0.00)
162:  4       (-13.936,   6.910,  -9.592)  (-13.908,   6.938,  -9.565)  ( 0.20,  0.40,  0.28)
162:     bond    (  0.682,  -0.990,  -1.830)  (  0.702,  -0.970,  -1.810)  ( 1.37,  1.98,  1.08)
162:     angle   ( -1.826,   2.713, -10.797)  ( -1.818,   2.721, -10.789)  ( 0.42,  0.27,  0.07)
162:     torsion ( -0.001,   0.005,  -0.004)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-12.893,   5.316,   3.128)  (-12.892,   5.316,   3.128)  ( 0.00,  0.00,  0.00)
162:     electro (  0.101,  -0.134,  -0.090)  (  0.101,  -0.134,  -0.090)  ( 0.00,  0.00,  0.00)
162:  5       (-25.904, 128.140,  -0.201)  (-25.900, 128.153,  -0.199)  ( 0.02,  0.01,  0.05)
162:     bond    (-44.104, 124.539,  -0.001)  (-44.102, 124.552,   0.000)  ( 0.00,  0.01,  0.00)
162:     angle   (  2.105,   0.746,  -0.030)  (  2.107,   0.746,  -0.028)  ( 0.09,  0.02,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 15.081,   2.805,   0.042)  ( 15.081,   2.805,   0.042)  ( 0.00,  0.00,  0.00)
162:     electro (  1.014,   0.050,  -0.212)  (  1.014,   0.050,  -0.212)  ( 0.00,  0.00,  0.00)
162:  6       (-41.125, -62.438, 108.322)  (-41.121, -62.433, 108.332)  ( 0.01,  0.01,  0.01)
162:     bond    (-44.022, -62.301, 107.873)  (-44.020, -62.298, 107.882)  ( 0.00,  0.01,  0.01)
162:     angle   (  2.401,  -0.335,   0.787)  (  2.403,  -0.333,   0.788)  ( 0.08,  0.05,  0.05)
162:     torsion ( -0.000,   0.002,   0.001)  (  0.000,   0.002,   0.001)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.085,  -0.035,   0.060)  ( -0.085,  -0.035,   0.060)  ( 0.00,  0.00,  0.00)
162:     electro (  0.580,   0.231,  -0.400)  (  0.580,   0.231,  -0.400)  ( 0.00,  0.00,  0.00)
162:  7       (-25.293, -63.902, -111.322)  (-25.288, -63.897, -111.312)  ( 0.02,  0.01,  0.01)
162:     bond    (-44.001, -62.281, -107.920)  (-43.999, -62.278, -107.911)  ( 0.00,  0.01,  0.01)
162:     angle   (  2.450,  -0.318,  -0.818)  (  2.452,  -0.317,  -0.817)  ( 0.08,  0.05,  0.05)
162:     torsion ( -0.000,  -0.004,   0.002)  (  0.000,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 15.243,  -1.456,  -2.437)  ( 15.244,  -1.456,  -2.437)  ( 0.00,  0.00,  0.00)
162:     electro (  1.015,   0.158,  -0.150)  (  1.015,   0.158,  -0.150)  ( 0.00,  0.00,  0.00)
162:  8       (130.829,  -5.135,  -1.747)  (130.843,  -5.132,  -1.745)  ( 0.01,  0.06,  0.15)
162:     bond    (132.182,  -0.001,  -0.001)  (132.197,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
162:     angle   ( -0.000,  -2.186,  -0.045)  (  0.000,  -2.183,  -0.043)  ( 0.00,  0.10,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.859,  -2.328,  -1.348)  ( -0.859,  -2.328,  -1.348)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.495,  -0.621,  -0.353)  ( -0.495,  -0.621,  -0.353)  ( 0.00,  0.00,  0.00)
162:  9       (-47.847,  57.535, 107.082)  (-47.843,  57.540, 107.092)  ( 0.01,  0.01,  0.01)
162:     bond    (-44.022,  62.294, 107.873)  (-44.020,  62.298, 107.882)  ( 0.00,  0.01,  0.01)
162:     angle   ( -1.070,  -2.139,   0.797)  ( -1.068,  -2.137,   0.798)  ( 0.16,  0.08,  0.05)
162:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.321,  -1.993,  -1.141)  ( -2.321,  -1.993,  -1.141)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.435,  -0.628,  -0.447)  ( -0.435,  -0.628,  -0.447)  ( 0.00,  0.00,  0.00)
162: 10       (-47.394,  54.137, -107.992)  (-47.390,  54.143, -107.982)  ( 0.01,  0.01,  0.01)
162:     bond    (-43.959,  62.203, -107.816)  (-43.957,  62.206, -107.807)  ( 0.00,  0.01,  0.01)
162:     angle   ( -1.055,  -2.187,  -0.832)  ( -1.053,  -2.186,  -0.832)  ( 0.17,  0.08,  0.05)
162:     torsion (  0.004,  -0.002,  -0.003)  (  0.004,  -0.002,  -0.003)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.994,  -4.924,   0.658)  ( -1.994,  -4.924,   0.658)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.391,  -0.952,   0.001)  ( -0.391,  -0.952,   0.001)  ( 0.00,  0.00,  0.00)
162: 11       (130.831,   4.001,   3.571)  (130.845,   4.004,   3.574)  ( 0.01,  0.07,  0.08)
162:     bond    (132.183,  -0.035,  -0.070)  (132.197,  -0.035,  -0.070)  ( 0.01,  0.00,  0.00)
162:     angle   (  0.001,   1.081,   1.938)  (  0.001,   1.083,   1.940)  ( 0.00,  0.18,  0.11)
162:     torsion ( -0.000,   0.005,  -0.003)  ( -0.000,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.859,   2.334,   1.344)  ( -0.859,   2.334,   1.344)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.494,   0.616,   0.362)  ( -0.494,   0.616,   0.362)  ( 0.00,  0.00,  0.00)
162: 12       (-47.569,  66.412, -100.996)  (-47.565,  66.418, -100.985)  ( 0.01,  0.01,  0.01)
162:     bond    (-44.072,  62.288, -107.890)  (-44.070,  62.292, -107.881)  ( 0.00,  0.01,  0.01)
162:     angle   ( -1.090,   1.766,   1.465)  ( -1.088,   1.768,   1.465)  ( 0.16,  0.09,  0.05)
162:     torsion ( -0.005,  -0.004,   0.000)  ( -0.005,  -0.004,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j47_gdv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j4a_oef.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j4g_nb1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j4i_gsj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j4z_626.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j51_dki.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j5v_pca.sdf
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.011,   1.886,   4.604)  ( -2.011,   1.886,   4.604)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.390,   0.475,   0.826)  ( -0.390,   0.475,   0.826)  ( 0.00,  0.00,  0.00)
162: 13       (-47.912, -121.563,   3.871)  (-47.908, -121.550,   3.874)  ( 0.01,  0.01,  0.07)
162:     bond    (-44.066, -124.643,   0.069)  (-44.064, -124.631,   0.070)  ( 0.00,  0.01,  0.00)
162:     angle   ( -1.083,   0.383,   2.316)  ( -1.082,   0.384,   2.318)  ( 0.16,  0.01,  0.09)
162:     torsion (  0.009,  -0.003,   0.005)  (  0.009,  -0.003,   0.005)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.336,   1.998,   1.161)  ( -2.336,   1.998,   1.161)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.435,   0.702,   0.320)  ( -0.435,   0.702,   0.320)  ( 0.00,  0.00,  0.00)
162: ok 10 # gradients 
162: ok 11 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (-271.138, 383.042, -663.507)  (-271.125, 383.054, -663.501)  ( 0.00,  0.00,  0.00)
162:     bond    (-217.378, 307.591, -532.902)  (-217.370, 307.598, -532.901)  ( 0.00,  0.00,  0.00)
162:     angle   (-53.753,  75.453, -130.601)  (-53.749,  75.457, -130.596)  ( 0.01,  0.01,  0.00)
162:     torsion ( -0.006,  -0.002,  -0.005)  ( -0.006,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  2       (770.692, -25.809,  44.488)  (770.715, -25.784,  44.512)  ( 0.00,  0.10,  0.05)
162:     bond    (788.238,   0.006,   0.011)  (788.254,   0.024,   0.029)  ( 0.00,  0.01,  0.02)
162:     angle   (-26.180, -28.418,  49.021)  (-26.173, -28.411,  49.028)  ( 0.03,  0.02,  0.01)
162:     torsion ( -0.000,   0.003,  -0.001)  (  0.000,   0.003,  -0.001)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  9.043,   2.698,  -4.714)  (  9.043,   2.698,  -4.714)  ( 0.00,  0.01,  0.00)
162:     electro ( -0.409,  -0.098,   0.170)  ( -0.409,  -0.098,   0.170)  ( 0.00,  0.00,  0.00)
162:  3       (-246.459, -735.886,  44.420)  (-246.434, -735.862,  44.444)  ( 0.01,  0.00,  0.05)
162:     bond    (-263.274, -743.035,  -0.093)  (-263.257, -743.019,  -0.075)  ( 0.01,  0.00,  0.16)
162:     angle   ( 35.493,  15.072,  49.043)  ( 35.500,  15.079,  49.050)  ( 0.02,  0.05,  0.01)
162:     torsion (  0.003,  -0.001,   0.006)  (  0.003,  -0.001,   0.006)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-18.922,  -8.267,  -4.707)  (-18.922,  -8.267,  -4.707)  ( 0.00,  0.00,  0.00)
162:     electro (  0.241,   0.346,   0.170)  (  0.241,   0.346,   0.170)  ( 0.00,  0.00,  0.00)
162:  4       (-246.256, 329.681, 659.355)  (-246.231, 329.705, 659.379)  ( 0.01,  0.01,  0.00)
162:     bond    (-262.685, 371.683, 643.520)  (-262.668, 371.701, 643.537)  ( 0.01,  0.00,  0.00)
162:     angle   ( 35.311, -49.918,  11.219)  ( 35.318, -49.912,  11.226)  ( 0.02,  0.01,  0.06)
162:     torsion ( -0.001,   0.002,  -0.002)  ( -0.000,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-19.122,   8.234,   4.833)  (-19.122,   8.234,   4.833)  ( 0.00,  0.00,  0.00)
162:     electro (  0.241,  -0.320,  -0.215)  (  0.241,  -0.320,  -0.215)  ( 0.00,  0.00,  0.00)
162:  5       (-11.489, 135.972,  -0.102)  (-11.484, 135.985,  -0.100)  ( 0.04,  0.01,  0.02)
162:     bond    (-45.231, 127.721,  -0.001)  (-45.228, 127.733,   0.000)  ( 0.00,  0.01,  0.00)
162:     angle   (  8.533,   3.022,  -0.030)  (  8.535,   3.022,  -0.028)  ( 0.02,  0.01,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 24.859,   5.186,   0.011)  ( 24.859,   5.186,   0.011)  ( 0.00,  0.00,  0.00)
162:     electro (  0.350,   0.044,  -0.082)  (  0.350,   0.044,  -0.082)  ( 0.00,  0.00,  0.00)
162:  6       (-36.115, -65.266, 113.222)  (-36.111, -65.261, 113.232)  ( 0.01,  0.01,  0.01)
162:     bond    (-45.146, -63.893, 110.628)  (-45.144, -63.889, 110.638)  ( 0.00,  0.01,  0.01)
162:     angle   (  8.798,  -1.462,   2.746)  (  8.800,  -1.461,   2.747)  ( 0.02,  0.10,  0.02)
162:     torsion ( -0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.037,   0.008,  -0.014)  (  0.037,   0.008,  -0.014)  ( 0.00,  0.00,  0.00)
162:     electro (  0.197,   0.081,  -0.140)  (  0.197,   0.081,  -0.140)  ( 0.00,  0.00,  0.00)
162:  7       (-10.816, -67.901, -118.066)  (-10.812, -67.896, -118.056)  ( 0.04,  0.01,  0.01)
162:     bond    (-45.125, -63.872, -110.677)  (-45.123, -63.868, -110.667)  ( 0.00,  0.01,  0.01)
162:     angle   (  8.836,  -1.443,  -2.772)  (  8.838,  -1.442,  -2.771)  ( 0.02,  0.10,  0.02)
162:     torsion ( -0.000,  -0.002,   0.001)  (  0.000,  -0.002,   0.001)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 25.121,  -2.633,  -4.539)  ( 25.122,  -2.633,  -4.539)  ( 0.00,  0.00,  0.00)
162:     electro (  0.351,   0.049,  -0.079)  (  0.351,   0.049,  -0.079)  ( 0.00,  0.00,  0.00)
162:  8       (133.977, -13.687,  -2.770)  (133.991, -13.684,  -2.767)  ( 0.01,  0.02,  0.09)
162:     bond    (135.558,  -0.001,  -0.001)  (135.572,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
162:     angle   ( -0.000,  -9.007,  -0.044)  (  0.000,  -9.005,  -0.042)  ( 0.00,  0.02,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.421,  -4.461,  -2.588)  ( -1.421,  -4.461,  -2.588)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.160,  -0.219,  -0.137)  ( -0.160,  -0.219,  -0.137)  ( 0.00,  0.00,  0.00)
162:  9       (-54.376,  52.198, 110.874)  (-54.372,  52.203, 110.884)  ( 0.01,  0.01,  0.01)
162:     bond    (-45.146,  63.885, 110.628)  (-45.144,  63.889, 110.638)  ( 0.00,  0.01,  0.01)
162:     angle   ( -4.271,  -7.796,   2.758)  ( -4.269,  -7.794,   2.759)  ( 0.04,  0.02,  0.02)
162:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.788,  -3.684,  -2.353)  ( -4.788,  -3.684,  -2.353)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.171,  -0.208,  -0.159)  ( -0.171,  -0.208,  -0.159)  ( 0.00,  0.00,  0.00)
162: 10       (-53.750,  46.610, -112.293)  (-53.747,  46.615, -112.283)  ( 0.01,  0.01,  0.01)
162:     bond    (-45.082,  63.793, -110.573)  (-45.080,  63.796, -110.563)  ( 0.00,  0.01,  0.01)
162:     angle   ( -4.250,  -7.836,  -2.789)  ( -4.249,  -7.835,  -2.788)  ( 0.04,  0.02,  0.02)
162:     torsion (  0.002,  -0.001,  -0.001)  (  0.002,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.265,  -9.021,   1.090)  ( -4.265,  -9.021,   1.090)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.155,  -0.325,  -0.020)  ( -0.155,  -0.325,  -0.020)  ( 0.00,  0.00,  0.00)
162: 11       (133.984,   9.161,  10.464)  (133.998,   9.163,  10.466)  ( 0.01,  0.03,  0.02)
162:     bond    (135.558,  -0.036,  -0.072)  (135.572,  -0.036,  -0.071)  ( 0.01,  0.00,  0.00)
162:     angle   (  0.005,   4.491,   7.842)  (  0.005,   4.493,   7.844)  ( 0.00,  0.04,  0.02)
162:     torsion ( -0.000,   0.002,  -0.001)  ( -0.000,   0.002,  -0.001)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.419,   4.476,   2.574)  ( -1.419,   4.476,   2.574)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.160,   0.228,   0.121)  ( -0.160,   0.228,   0.121)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j5v_rgp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j62_gsz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j6m_aee.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j75_noy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j7c_ide.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j7d_gi1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j7e_gi2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j7f_gi3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j7g_gi4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j7h_azf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j7t_274.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j7y_e3o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j94_g15.sdf
158: ok 445 # number of heavy atoms match
158: ok 446 # number of heavy atoms match
158: ok 447 # number of heavy atoms match
158: ok 448 # number of heavy atoms match
158: ok 449 # number of heavy atoms match
158: ok 450 # number of heavy atoms match
158: ok 451 # number of heavy atoms match
158: ok 452 # number of heavy atoms match
158: ok 453 # number of heavy atoms match
158: ok 454 # number of heavy atoms match
158: ok 455 # number of heavy atoms match
158: ok 456 # number of heavy atoms match
158: ok 457 # number of heavy atoms match
158: ok 458 # number of heavy atoms match
158: ok 459 # number of heavy atoms match
158: ok 460 # number of heavy atoms match
158: ok 461 # number of heavy atoms match
158: ok 462 # number of heavy atoms match
158: ok 463 # number of heavy atoms match
158: ok 464 # number of heavy atoms match
158: ok 465 # number of heavy atoms match
158: ok 466 # number of heavy atoms match
158: ok 467 # number of heavy atoms match
158: ok 468 # number of heavy atoms match
158: ok 469 # number of heavy atoms match
158: ok 470 # number of heavy atoms match
158: ok 471 # number of heavy atoms match
158: ok 472 # number of heavy atoms match
158: ok 473 # number of heavy atoms match
158: ok 474 # number of heavy atoms match
158: ok 475 # number of heavy atoms match
158: ok 476 # number of heavy atoms match
158: ok 477 # number of heavy atoms match
158: ok 478 # number of heavy atoms match
158: ok 479 # number of heavy atoms match
158: ok 480 # number of heavy atoms match
158: ok 481 # number of heavy atoms match
158: ok 482 # number of heavy atoms match
158: ok 483 # number of heavy atoms match
158: ok 484 # number of heavy atoms match
158: ok 485 # number of heavy atoms match
158: ok 486 # number of heavy atoms match
158: ok 487 # number of heavy atoms match
158: ok 488 # number of heavy atoms match
158: ok 489 # number of heavy atoms match
158: ok 490 # number of heavy atoms match
158: ok 491 # number of heavy atoms match
158: ok 492 # number of heavy atoms match
158: ok 493 # number of heavy atoms match
158: ok 494 # number of heavy atoms match
158: ok 495 # number of heavy atoms match
158: ok 496 # number of heavy atoms match
158: ok 497 # number of heavy atoms match
158: ok 498 # number of heavy atoms match
158: ok 499 # number of heavy atoms match
158: ok 500 # number of heavy atoms match
158: ok 501 # number of heavy atoms match
158: ok 502 # number of heavy atoms match
158: ok 503 # number of heavy atoms match
158: ok 504 # number of heavy atoms match
158: ok 505 # number of heavy atoms match
158: ok 506 # number of heavy atoms match
158: ok 507 # number of heavy atoms match
158: ok 508 # number of heavy atoms match
158: ok 509 # number of heavy atoms match
158: ok 510 # number of heavy atoms match
158: ok 511 # number of heavy atoms match
158: ok 512 # number of heavy atoms match
158: ok 513 # number of heavy atoms match
158: ok 514 # number of heavy atoms match
158: ok 515 # number of heavy atoms match
158: ok 516 # number of heavy atoms match
158: ok 517 # number of heavy atoms match
158: ok 518 # number of heavy atoms match
158: ok 519 # number of heavy atoms match
158: ok 520 # number of heavy atoms match
158: ok 521 # number of heavy atoms match
158: ok 522 # number of heavy atoms match
158: ok 523 # number of heavy atoms match
158: ok 524 # number of heavy atoms match
158: ok 525 # number of heavy atoms match
158: ok 526 # number of heavy atoms match
158: ok 527 # number of heavy atoms match
158: ok 528 # number of heavy atoms match
158: ok 529 # number of heavy atoms match
158: ok 530 # number of heavy atoms match
158: ok 531 # number of heavy atoms match
158: ok 532 # number of heavy atoms match
158: ok 533 # number of heavy atoms match
158: ok 534 # number of heavy atoms match
158: ok 535 # number of heavy atoms match
158: ok 536 # number of heavy atoms match
158: ok 537 # number of heavy atoms match
158: ok 538 # number of heavy atoms match
158: ok 539 # number of heavy atoms match
158: ok 540 # number of heavy atoms match
158: ok 541 # number of heavy atoms match
158: ok 542 # number of heavy atoms match
158: ok 543 # number of heavy atoms match
158: ok 544 # number of heavy atoms match
158: ok 545 # number of heavy atoms match
158: ok 546 # number of heavy atoms match
158: ok 547 # number of heavy atoms match
158: ok 548 # number of heavy atoms match
158: ok 549 # number of heavy atoms match
158: ok 550 # number of heavy atoms match
158: ok 551 # number of heavy atoms match
158: ok 552 # number of heavy atoms match
158: ok 553 # number of heavy atoms match
158: ok 554 # number of heavy atoms match
158: ok 555 # number of heavy atoms match
158: ok 556 # number of heavy atoms match
158: ok 557 # number of heavy atoms match
158: ok 558 # number of heavy atoms match
158: ok 559 # number of heavy atoms match
158: ok 560 # number of heavy atoms match
158: ok 561 # number of heavy atoms match
158: ok 562 # number of heavy atoms match
158: ok 563 # number of heavy atoms match
158: ok 564 # number of heavy atoms match
158: ok 565 # number of heavy atoms match
158: ok 566 # number of heavy atoms match
158: ok 567 # number of heavy atoms match
158: ok 568 # number of heavy atoms match
158: ok 569 # number of heavy atoms match
158: ok 570 # number of heavy atoms match
158: ok 571 # number of heavy atoms match
158: ok 572 # number of heavy atoms match
158: ok 573 # number of heavy atoms match
158: ok 574 # number of heavy atoms match
158: ok 575 # number of heavy atoms match
158: ok 576 # number of heavy atoms match
158: ok 577 # number of heavy atoms match
158: ok 578 # number of heavy atoms match
158: ok 579 # number of heavy atoms match
158: ok 580 # number of heavy atoms match
158: ok 581 # number of heavy atoms match
158: ok 582 # number of heavy atoms match
158: ok 583 # number of heavy atoms match
158: ok 584 # number of heavy atoms match
158: ok 585 # number of heavy atoms match
158: ok 586 # number of heavy atoms match
158: ok 587 # number of heavy atoms match
158: ok 588 # number of heavy atoms match
158: ok 589 # number of heavy atoms match
158: ok 590 # number of heavy atoms match
158: ok 591 # number of heavy atoms match
158: ok 592 # number of heavy atoms match
158: ok 593 # number of heavy atoms match
158: ok 594 # number of heavy atoms match
158: ok 595 # number of heavy atoms match
158: ok 596 # number of heavy atoms match
158: ok 597 # number of heavy atoms match
158: ok 598 # number of heavy atoms match
158: ok 599 # number of heavy atoms match
158: ok 600 # number of heavy atoms match
158: ok 601 # number of heavy atoms match
158: ok 602 # number of heavy atoms match
158: ok 603 # number of heavy atoms match
158: ok 604 # number of heavy atoms match
158: ok 605 # number of heavy atoms match
158: ok 606 # number of heavy atoms match
158: ok 607 # number of heavy atoms match
158: ok 608 # number of heavy atoms match
158: ok 609 # number of heavy atoms match
158: ok 610 # number of heavy atoms match
158: ok 611 # number of heavy atoms match
158: ok 612 # number of heavy atoms match
158: ok 613 # number of heavy atoms match
158: ok 614 # number of heavy atoms match
158: ok 615 # number of heavy atoms match
158: ok 616 # number of heavy atoms match
158: ok 617 # number of heavy atoms match
158: ok 618 # number of heavy atoms match
158: ok 619 # number of heavy atoms match
158: ok 620 # number of heavy atoms match
158: ok 621 # number of heavy atoms match
158: ok 622 # number of heavy atoms match
158: ok 623 # number of heavy atoms match
158: ok 624 # number of heavy atoms match
158: ok 625 # number of heavy atoms match
158: ok 626 # number of heavy atoms match
158: ok 627 # number of heavy atoms match
158: ok 628 # number of heavy atoms match
158: ok 629 # number of heavy atoms match
158: ok 630 # number of heavy atoms match
158: ok 631 # number of heavy atoms match
158: ok 632 # number of heavy atoms match
158: ok 633 # number of heavy atoms match
158: ok 634 # number of heavy atoms match
158: ok 635 # number of heavy atoms match
158: ok 636 # number of heavy atoms match
158: ok 637 # number of heavy atoms match
158: ok 638 # number of heavy atoms match
158: ok 639 # number of heavy atoms match
158: ok 640 # number of heavy atoms match
158: ok 641 # number of heavy atoms match
158: ok 642 # number of heavy atoms match
158: ok 643 # number of heavy atoms match
158: ok 644 # number of heavy atoms match
158: ok 645 # number of heavy atoms match
158: ok 646 # number of heavy atoms match
158: ok 647 # number of heavy atoms match
158: ok 648 # number of heavy atoms match
158: ok 649 # number of heavy atoms match
158: ok 650 # number of heavy atoms match
158: ok 651 # number of heavy atoms match
158: ok 652 # number of heavy atoms match
158: ok 653 # number of heavy atoms match
158: ok 654 # number of heavy atoms match
158: ok 655 # number of heavy atoms match
158: ok 656 # number of heavy atoms match
158: ok 657 # number of heavy atoms match
158: ok 658 # number of heavy atoms match
158: ok 659 # number of heavy atoms match
158: ok 660 # number of heavy atoms match
158: ok 661 # number of heavy atoms match
158: ok 662 # number of heavy atoms match
158: ok 663 # number of heavy atoms match
158: ok 664 # number of heavy atoms match
158: ok 665 # number of heavy atoms match
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j95_gsx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j9f_thv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2j9y_foo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jai_cir.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jaj_d20.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jam_j60.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jau_po4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jav_5z5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jaw_bvp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jb4_a14.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jb8_hkv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jbt_4hp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jc0_699.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jc1_698.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jc6_qpp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jcs_ttp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jcv_ndp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jdr_l20.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jed_lg8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jev_nhq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jew_720.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jey_hlo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jf4_vdm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jff_lk2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jfh_lk1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jfz_003.sdf
159: ok 1 # dipole
159: ok 2 # charge
159: ok 3 # charge
159: ok 4 # charge
159: ok 5 # charge
159: ok 6 # charge
159: ok 7 # charge
159: ok 8 # charge
159: ok 9 # charge
159: ok 10 # charge
159: ok 11 # charge
159: ok 12 # charge
159: ok 13 # charge
159: ok 14 # charge
159: ok 15 # charge
159: ok 16 # charge
159: ok 17 # charge
159: ok 18 # charge
159: ok 19 # charge
159: ok 20 # charge
159: ok 21 # charge
159: ok 22 # charge
159: ok 23 # charge
159: ok 24 # charge
159: ok 25 # charge
159: ok 26 # charge
159: ok 27 # charge
159: ok 28 # charge
159: ok 29 # charge
159: ok 30 # charge
159: ok 31 # charge
159: ok 32 # charge
159: ok 33 # charge
159: ok 34 # charge
159: ok 35 # charge
159: ok 36 # charge
159: ok 37 # charge
159: ok 38 # charge
159: ok 39 # charge
159: ok 40 # charge
159: ok 41 # dipole
159: ok 42 # charge
159: ok 43 # charge
159: ok 44 # charge
159: ok 45 # charge
159: ok 46 # charge
159: ok 47 # charge
159: ok 48 # charge
159: ok 49 # dipole
159: ok 50 # charge
159: ok 51 # charge
159: ok 52 # charge
159: ok 53 # charge
159: ok 54 # charge
159: ok 55 # charge
159: ok 56 # charge
159: ok 57 # charge
159: ok 58 # charge
159: ok 59 # dipole
159: ok 60 # charge
159: ok 61 # charge
159: ok 62 # charge
159: ok 63 # charge
159: ok 64 # charge
159: ok 65 # charge
159: ok 66 # charge
159: ok 67 # charge
159: ok 68 # dipole
159: ok 69 # charge
159: ok 70 # charge
159: ok 71 # charge
159: ok 72 # charge
159: ok 73 # charge
159: ok 74 # charge
159: ok 75 # charge
159: ok 76 # charge
159: ok 77 # charge
159: ok 78 # charge
159: ok 79 # charge
159: ok 80 # charge
159: ok 81 # charge
159: ok 82 # dipole
159: ok 83 # charge
159: ok 84 # charge
159: ok 85 # charge
159: ok 86 # charge
159: ok 87 # charge
159: ok 88 # charge
159: ok 89 # charge
159: ok 90 # charge
159: ok 91 # charge
159: ok 92 # charge
159: ok 93 # charge
159: ok 94 # charge
159: ok 95 # charge
159: ok 96 # dipole
159: ok 97 # charge
159: ok 98 # charge
159: ok 99 # charge
159: ok 100 # charge
159: ok 101 # charge
159: ok 102 # charge
159: ok 103 # charge
159: ok 104 # charge
159: ok 105 # charge
159: ok 106 # charge
159: ok 107 # charge
159: ok 108 # charge
159: ok 109 # charge
159: ok 110 # charge
159: ok 111 # charge
159: ok 112 # charge
159: ok 113 # charge
159: ok 114 # charge
159: ok 115 # charge
159: ok 116 # charge
159: ok 117 # charge
159: ok 118 # charge
159: ok 119 # charge
159: ok 120 # charge
159: ok 121 # charge
159: ok 122 # charge
159: ok 123 # charge
159: ok 124 # charge
159: ok 125 # charge
159: ok 126 # charge
159: ok 127 # charge
159: ok 128 # charge
159: ok 129 # charge
159: ok 130 # charge
159: ok 131 # charge
159: ok 132 # charge
159: ok 133 # charge
159: ok 134 # charge
159: ok 135 # charge
159: ok 136 # charge
159: ok 137 # charge
159: ok 138 # charge
159: ok 139 # charge
159: ok 140 # charge
159: ok 141 # charge
159: ok 142 # charge
159: ok 143 # charge
159: ok 144 # charge
159: ok 145 # charge
159: ok 146 # charge
159: ok 147 # charge
159: ok 148 # charge
159: ok 149 # charge
159: ok 150 # charge
159: ok 151 # charge
159: ok 152 # charge
159: ok 153 # charge
159: ok 154 # charge
159: ok 155 # charge
159: ok 156 # charge
159: ok 157 # charge
159: ok 158 # charge
159: ok 159 # charge
159: ok 160 # charge
159: ok 161 # charge
159: ok 162 # dipole
159: ok 163 # charge
159: ok 164 # charge
159: ok 165 # charge
159: ok 166 # charge
159: ok 167 # charge
159: ok 168 # charge
159: ok 169 # charge
159: ok 170 # charge
159: ok 171 # charge
159: ok 172 # charge
159: ok 173 # charge
159: ok 174 # charge
159: ok 175 # charge
159: ok 176 # charge
159: ok 177 # charge
159: ok 178 # charge
159: ok 179 # charge
159: ok 180 # charge
159: ok 181 # charge
159: ok 182 # charge
159: ok 183 # charge
159: ok 184 # charge
159: ok 185 # charge
159: ok 186 # charge
159: ok 187 # dipole
159: ok 188 # charge
159: ok 189 # charge
159: ok 190 # charge
159: ok 191 # charge
159: ok 192 # charge
159: ok 193 # charge
159: ok 194 # charge
159: ok 195 # charge
159: ok 196 # charge
159: ok 197 # charge
159: ok 198 # charge
159: ok 199 # charge
159: ok 200 # charge
159: ok 201 # charge
159: ok 202 # charge
159: ok 203 # charge
159: ok 204 # charge
159: ok 205 # charge
159: ok 206 # charge
159: ok 207 # charge
159: ok 208 # charge
159: ok 209 # charge
159: ok 210 # charge
159: ok 211 # charge
159: ok 212 # charge
159: ok 213 # charge
159: ok 214 # charge
159: ok 215 # charge
159: ok 216 # charge
159: ok 217 # charge
159: ok 218 # charge
159: ok 219 # charge
159: ok 220 # charge
159: ok 221 # charge
159: ok 222 # charge
159: ok 223 # charge
159: ok 224 # charge
159: ok 225 # charge
159: ok 226 # charge
159: ok 227 # charge
159: ok 228 # charge
159: ok 229 # charge
159: ok 230 # charge
159: ok 231 # charge
159: ok 232 # charge
159: ok 233 # charge
159: ok 234 # charge
159: ok 235 # charge
159: ok 236 # charge
159: ok 237 # charge
159: ok 238 # charge
159: ok 239 # charge
159: ok 240 # charge
159: ok 241 # charge
159: ok 242 # charge
159: ok 243 # charge
159: ok 244 # charge
159: ok 245 # charge
159: ok 246 # charge
159: ok 247 # charge
159: ok 248 # dipole
159: ok 249 # charge
159: ok 250 # charge
159: ok 251 # charge
159: ok 252 # charge
159: ok 253 # charge
159: ok 254 # charge
159: ok 255 # charge
159: ok 256 # charge
159: ok 257 # charge
159: ok 258 # charge
159: ok 259 # charge
159: ok 260 # charge
159: ok 261 # charge
159: ok 262 # charge
159: ok 263 # charge
159: ok 264 # charge
159: ok 265 # charge
159: ok 266 # charge
159: ok 267 # charge
159: ok 268 # charge
159: ok 269 # charge
159: ok 270 # charge
159: ok 271 # charge
159: ok 272 # charge
159: ok 273 # dipole
159: ok 274 # charge
159: ok 275 # charge
159: ok 276 # charge
159: ok 277 # charge
159: ok 278 # charge
159: ok 279 # charge
159: ok 280 # charge
159: ok 281 # charge
159: ok 282 # charge
159: ok 283 # charge
159: ok 284 # charge
159: ok 285 # charge
159: ok 286 # charge
159: ok 287 # charge
159: ok 288 # charge
159: ok 289 # charge
159: ok 290 # charge
159: ok 291 # charge
159: ok 292 # charge
159: ok 293 # charge
159: ok 294 # charge
159: ok 295 # charge
159: ok 296 # charge
159: ok 297 # charge
159: ok 298 # charge
159: ok 299 # charge
159: ok 300 # charge
159: ok 301 # charge
159: ok 302 # charge
159: ok 303 # charge
159: ok 304 # charge
159: ok 305 # charge
159: ok 306 # charge
159: ok 307 # charge
159: ok 308 # charge
159: ok 309 # charge
159: ok 310 # charge
159: ok 311 # charge
159: ok 312 # charge
159: ok 313 # charge
159: ok 314 # charge
159: ok 315 # charge
159: ok 316 # charge
159: ok 317 # charge
159: ok 318 # charge
159: ok 319 # charge
159: ok 320 # charge
159: ok 321 # charge
159: ok 322 # charge
159: ok 323 # charge
159: ok 324 # charge
159: ok 325 # charge
159: ok 326 # charge
159: ok 327 # charge
159: ok 328 # charge
159: ok 329 # charge
159: ok 330 # charge
159: ok 331 # charge
159: ok 332 # charge
159: ok 333 # charge
159: ok 334 # charge
159: ok 335 # charge
159: ok 336 # charge
159: ok 337 # charge
159: ok 338 # charge
159: ok 339 # charge
159: ok 340 # charge
159: ok 341 # charge
159: ok 342 # charge
159: ok 343 # charge
159: ok 344 # charge
159: ok 345 # charge
159: ok 346 # charge
159: ok 347 # charge
159: ok 348 # dipole
159: ok 349 # charge
159: ok 350 # charge
159: ok 351 # charge
159: ok 352 # charge
159: ok 353 # charge
159: ok 354 # charge
159: ok 355 # charge
159: ok 356 # charge
159: ok 357 # charge
159: ok 358 # charge
159: ok 359 # charge
159: ok 360 # charge
159: ok 361 # charge
159: ok 362 # charge
159: ok 363 # charge
159: ok 364 # charge
159: ok 365 # charge
159: ok 366 # charge
159: ok 367 # charge
159: ok 368 # charge
159: ok 369 # charge
159: ok 370 # charge
159: ok 371 # charge
159: ok 372 # charge
159: ok 373 # charge
159: ok 374 # charge
159: ok 375 # charge
159: ok 376 # charge
159: ok 377 # charge
159: ok 378 # charge
159: ok 379 # charge
159: ok 380 # charge
159: ok 381 # charge
159: ok 382 # charge
159: ok 383 # charge
159: ok 384 # charge
159: ok 385 # charge
159: ok 386 # charge
159: ok 387 # charge
159: ok 388 # charge
159: ok 389 # charge
159: ok 390 # charge
159: ok 391 # dipole
159: ok 392 # charge
159: ok 393 # charge
159: ok 394 # charge
159: ok 395 # charge
159: ok 396 # charge
159: ok 397 # charge
159: ok 398 # charge
159: ok 399 # charge
159: ok 400 # charge
159: ok 401 # charge
159: ok 402 # charge
159: ok 403 # charge
159: ok 404 # charge
159: ok 405 # charge
159: ok 406 # charge
159: ok 407 # charge
159: ok 408 # charge
159: ok 409 # charge
159: ok 410 # charge
159: ok 411 # charge
159: ok 412 # charge
159: ok 413 # charge
159: ok 414 # charge
159: ok 415 # charge
159: ok 416 # charge
159: ok 417 # charge
159: ok 418 # charge
159: ok 419 # charge
159: ok 420 # charge
159: ok 421 # charge
159: ok 422 # charge
159: ok 423 # charge
159: ok 424 # charge
159: ok 425 # charge
159: ok 426 # charge
159: ok 427 # charge
159: ok 428 # charge
159: ok 429 # dipole
159: ok 430 # charge
159: ok 431 # charge
159: ok 432 # charge
159: ok 433 # charge
159: ok 434 # charge
159: ok 435 # charge
159: ok 436 # charge
159: ok 437 # charge
159: ok 438 # charge
159: ok 439 # charge
159: ok 440 # charge
159: ok 441 # charge
159: ok 442 # charge
159: ok 443 # charge
159: ok 444 # charge
159: ok 445 # charge
159: ok 446 # charge
159: ok 447 # charge
159: ok 448 # charge
159: ok 449 # charge
159: ok 450 # charge
159: ok 451 # charge
159: ok 452 # charge
159: ok 453 # charge
159: ok 454 # charge
159: ok 455 # charge
159: ok 456 # charge
159: ok 457 # charge
159: ok 458 # charge
159: ok 459 # charge
159: ok 460 # charge
159: ok 461 # charge
159: ok 462 # charge
159: ok 463 # charge
159: ok 464 # charge
159: ok 465 # charge
159: ok 466 # charge
159: ok 467 # charge
159: ok 468 # charge
159: ok 469 # dipole
159: ok 470 # charge
159: ok 471 # charge
159: ok 472 # charge
159: ok 473 # charge
159: ok 474 # charge
159: ok 475 # charge
159: ok 476 # charge
159: ok 477 # charge
159: ok 478 # charge
159: ok 479 # charge
159: ok 480 # charge
159: ok 481 # charge
159: ok 482 # charge
159: ok 483 # charge
159: ok 484 # charge
159: ok 485 # charge
159: ok 486 # charge
159: ok 487 # charge
159: ok 488 # charge
159: ok 489 # charge
159: ok 490 # charge
159: ok 491 # charge
159: ok 492 # charge
159: ok 493 # charge
159: ok 494 # charge
159: ok 495 # charge
159: ok 496 # charge
159: ok 497 # charge
159: ok 498 # charge
159: ok 499 # charge
159: ok 500 # charge
159: ok 501 # charge
159: ok 502 # charge
159: ok 503 # dipole
159: ok 504 # charge
159: ok 505 # charge
159: ok 506 # charge
159: ok 507 # charge
159: ok 508 # charge
159: ok 509 # charge
159: ok 510 # charge
159: ok 511 # charge
159: ok 512 # charge
159: ok 513 # charge
159: ok 514 # charge
159: ok 515 # charge
159: ok 516 # charge
159: ok 517 # charge
159: ok 518 # charge
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jg0_ttz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jg3_ba2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jgi_ae3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jhg_ibo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ji6_oxk.sdf
162: 12       (-53.944,  73.905, -96.608)  (-53.940,  73.910, -96.597)  ( 0.01,  0.01,  0.01)
162:     bond    (-45.198,  63.879, -110.646)  (-45.196,  63.883, -110.636)  ( 0.00,  0.01,  0.01)
162:     angle   ( -4.286,   6.292,   5.384)  ( -4.284,   6.294,   5.384)  ( 0.04,  0.02,  0.01)
162:     torsion ( -0.002,  -0.002,   0.000)  ( -0.002,  -0.002,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.303,   3.555,   8.383)  ( -4.303,   3.555,   8.383)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.155,   0.180,   0.272)  ( -0.155,   0.180,   0.272)  ( 0.00,  0.00,  0.00)
162: 13       (-54.454, -122.162,  10.382)  (-54.450, -122.149,  10.385)  ( 0.01,  0.01,  0.02)
162:     bond    (-45.191, -127.826,   0.071)  (-45.189, -127.813,   0.071)  ( 0.00,  0.01,  0.00)
162:     angle   ( -4.274,   1.515,   8.186)  ( -4.272,   1.515,   8.188)  ( 0.04,  0.01,  0.02)
162:     torsion (  0.004,  -0.001,   0.002)  (  0.004,  -0.001,   0.002)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.822,   3.908,   2.023)  ( -4.822,   3.908,   2.023)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.171,   0.242,   0.100)  ( -0.171,   0.242,   0.100)  ( 0.00,  0.00,  0.00)
162: ok 12 # gradients 
162: ok 13 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (  5.260,  -5.148,  -2.361)  (  5.295,  -5.114,  -2.351)  ( 0.66,  0.67,  0.43)
162:     bond    ( 24.503, -13.273,  -6.986)  ( 24.527, -13.246,  -6.983)  ( 0.10,  0.20,  0.05)
162:     angle   (  5.776,   8.041,   2.076)  (  5.785,   8.048,   2.077)  ( 0.17,  0.09,  0.04)
162:     torsion (  0.111,  -0.262,   0.581)  (  0.111,  -0.261,   0.587)  ( 0.00,  0.02,  0.30)
162:     oop     ( -0.010,   0.041,  -0.129)  ( -0.010,   0.041,  -0.128)  ( 0.00,  0.00,  0.01)
162:     vdw     (-24.970,   0.489,   2.359)  (-24.969,   0.489,   2.359)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.150,  -0.184,  -0.263)  ( -0.150,  -0.184,  -0.263)  ( 0.00,  0.00,  0.00)
162:  2       ( 21.589,  -5.064,  -1.366)  ( 21.626,  -5.032,  -1.356)  ( 0.17,  0.65,  0.72)
162:     bond    ( 28.371, -14.839,  -6.987)  ( 28.399, -14.815,  -6.984)  ( 0.10,  0.16,  0.04)
162:     angle   (  5.127, -11.898,  -4.480)  (  5.136, -11.890,  -4.479)  ( 0.16,  0.07,  0.02)
162:     torsion ( -0.039,  -0.121,   0.555)  ( -0.039,  -0.120,   0.560)  ( 0.00,  0.01,  0.29)
162:     oop     (  0.053,  -0.261,   0.756)  (  0.053,  -0.261,   0.757)  ( 0.00,  0.00,  0.05)
162:     vdw     (-11.673,  22.514,   9.309)  (-11.673,  22.514,   9.309)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.250,  -0.460,  -0.520)  ( -0.250,  -0.460,  -0.520)  ( 0.00,  0.00,  0.00)
162:  3       (-20.508,  13.173, -15.744)  (-20.471,  13.206, -15.734)  ( 0.18,  0.25,  0.07)
162:     bond    (-12.501, -44.238, -14.912)  (-12.473, -44.215, -14.908)  ( 0.23,  0.05,  0.02)
162:     angle   (  5.010,  29.663,  10.345)  (  5.018,  29.671,  10.346)  ( 0.17,  0.03,  0.01)
162:     torsion ( -0.498,   1.296,  -4.211)  ( -0.498,   1.297,  -4.205)  ( 0.00,  0.05,  0.12)
162:     oop     ( -0.099,   0.419,  -1.199)  ( -0.098,   0.419,  -1.198)  ( 0.00,  0.00,  0.06)
162:     vdw     (-11.894,  26.583,  -4.757)  (-11.893,  26.583,  -4.756)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.527,  -0.549,  -1.012)  ( -0.527,  -0.549,  -1.012)  ( 0.00,  0.00,  0.00)
162:  4       (-74.893, -26.370, -29.390)  (-74.856, -26.335, -29.379)  ( 0.05,  0.13,  0.04)
162:     bond    (-72.784,  16.430,  10.408)  (-72.758,  16.456,  10.412)  ( 0.04,  0.16,  0.04)
162:     angle   (-19.957, -39.249, -23.098)  (-19.947, -39.241, -23.096)  ( 0.05,  0.02,  0.01)
162:     torsion ( -0.579,   1.308,  -5.329)  ( -0.579,   1.309,  -5.324)  ( 0.00,  0.06,  0.09)
162:     oop     ( -0.078,   0.279,  -0.667)  ( -0.078,   0.279,  -0.667)  ( 0.00,  0.00,  0.01)
162:     vdw     ( 17.836,  -5.464, -11.173)  ( 17.837,  -5.464, -11.173)  ( 0.00,  0.00,  0.00)
162:     electro (  0.668,   0.326,   0.469)  (  0.668,   0.326,   0.469)  ( 0.00,  0.00,  0.00)
162:  5       (-30.629,  -6.041,  27.219)  (-30.591,  -6.009,  27.229)  ( 0.12,  0.54,  0.04)
162:     bond    (-35.335,  32.570,  16.427)  (-35.307,  32.594,  16.431)  ( 0.08,  0.07,  0.02)
162:     angle   (-11.648,  -7.912,  -1.789)  (-11.639,  -7.904,  -1.788)  ( 0.07,  0.10,  0.06)
162:     torsion (  1.790,  -7.107,  18.634)  (  1.790,  -7.107,  18.639)  ( 0.00,  0.01,  0.03)
162:     oop     (  0.322,  -1.081,   3.045)  (  0.322,  -1.081,   3.045)  ( 0.00,  0.01,  0.02)
162:     vdw     ( 13.738, -22.556,  -8.840)  ( 13.738, -22.555,  -8.840)  ( 0.00,  0.00,  0.00)
162:     electro (  0.504,   0.044,  -0.258)  (  0.504,   0.044,  -0.258)  ( 0.00,  0.00,  0.00)
162:  6       ( 13.714,   4.272,  -1.854)  ( 13.751,   4.304,  -1.844)  ( 0.27,  0.77,  0.55)
162:     bond    ( 38.529,  26.713,   5.049)  ( 38.558,  26.736,   5.053)  ( 0.07,  0.09,  0.07)
162:     angle   ( -9.725,   0.549,   1.163)  ( -9.716,   0.557,   1.164)  ( 0.08,  0.45,  0.09)
162:     torsion ( -0.017,   0.655,  -0.559)  ( -0.017,   0.656,  -0.554)  ( 0.00,  0.04,  0.28)
162:     oop     ( -0.037,   0.144,  -0.360)  ( -0.037,   0.145,  -0.359)  ( 0.00,  0.00,  0.03)
162:     vdw     (-15.307, -23.860,  -6.973)  (-15.307, -23.860,  -6.973)  ( 0.00,  0.00,  0.00)
162:     electro (  0.271,   0.070,  -0.175)  (  0.271,   0.070,  -0.175)  ( 0.00,  0.00,  0.00)
162:  7       (155.062,  58.275, 140.792)  (155.097,  58.294, 140.814)  ( 0.02,  0.03,  0.02)
162:     bond    (123.692,  55.388,  93.502)  (123.718,  55.400,  93.517)  ( 0.02,  0.02,  0.02)
162:     angle   ( 50.368,  29.010,  24.472)  ( 50.376,  29.016,  24.477)  ( 0.02,  0.02,  0.02)
162:     torsion ( -8.787, -46.879,  31.890)  ( -8.786, -46.878,  31.891)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -5.248,  21.884,  -9.351)  ( -5.248,  21.885,  -9.351)  ( 0.00,  0.00,  0.00)
162:     electro ( -4.963,  -1.128,   0.280)  ( -4.963,  -1.128,   0.280)  ( 0.00,  0.00,  0.00)
162:  8       (-55.997,  21.994,  41.099)  (-55.960,  22.008,  41.133)  ( 0.07,  0.07,  0.08)
162:     bond    (-124.586, -15.539, -11.759)  (-124.560, -15.529, -11.729)  ( 0.02,  0.06,  0.25)
162:     angle   ( 60.058,  66.972,  82.045)  ( 60.068,  66.975,  82.050)  ( 0.02,  0.00,  0.01)
162:     torsion ( -3.015,  -4.995, -33.899)  ( -3.015,  -4.994, -33.900)  ( 0.00,  0.02,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  8.161, -23.778,   4.119)  (  8.161, -23.777,   4.119)  ( 0.00,  0.00,  0.00)
162:     electro (  3.385,  -0.667,   0.594)  (  3.385,  -0.667,   0.594)  ( 0.00,  0.00,  0.00)
162:  9       ( -4.626, -55.968, -86.986)  ( -4.618, -55.961, -86.966)  ( 0.17,  0.01,  0.02)
162:     bond    ( 33.790, -47.731, -90.141)  ( 33.793, -47.725, -90.122)  ( 0.01,  0.01,  0.02)
162:     angle   (-60.901, -11.446, -16.774)  (-60.898, -11.446, -16.774)  ( 0.01,  0.00,  0.00)
162:     torsion ( -1.721,  40.864, -22.286)  ( -1.721,  40.864, -22.286)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 29.386, -37.753,  45.421)  ( 29.387, -37.752,  45.422)  ( 0.00,  0.00,  0.00)
162:     electro ( -5.180,   0.098,  -3.207)  ( -5.180,   0.098,  -3.207)  ( 0.00,  0.00,  0.00)
162: 10       (875.543, -1004.615, -67.954)  (875.579, -1004.581, -67.945)  ( 0.00,  0.00,  0.01)
162:     bond    (939.244, -991.164, -28.908)  (939.277, -991.135, -28.901)  ( 0.00,  0.00,  0.02)
162:     angle   (-69.172,  -9.984, -73.622)  (-69.169,  -9.979, -73.620)  ( 0.00,  0.05,  0.00)
162:     torsion (  3.542,  -1.685,  33.660)  (  3.543,  -1.685,  33.660)  ( 0.00,  0.02,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.743,  -1.844,   0.105)  (  1.743,  -1.844,   0.105)  ( 0.00,  0.01,  0.00)
162:     electro (  0.186,   0.063,   0.811)  (  0.186,   0.063,   0.811)  ( 0.00,  0.00,  0.00)
162: 11       ( 23.100, -113.050,  57.542)  ( 23.136, -113.014,  57.549)  ( 0.15,  0.03,  0.01)
162:     bond    (-93.024, -80.287,  13.134)  (-92.999, -80.260,  13.137)  ( 0.03,  0.03,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ji7_oxt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ji8_fyn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ji9_tpw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jid_gvb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jiw_beu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jj3_jj3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jjg_l18.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jjk_r15.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jjo_ey5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jjp_kln.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jk7_bi6.sdf
159: ok 519 # charge
159: ok 520 # charge
159: ok 521 # charge
159: ok 522 # charge
159: ok 523 # charge
159: ok 524 # charge
159: ok 525 # charge
159: ok 526 # charge
159: ok 527 # charge
159: ok 528 # charge
159: ok 529 # charge
159: ok 530 # charge
159: ok 531 # charge
159: ok 532 # charge
159: ok 533 # charge
159: ok 534 # charge
159: ok 535 # dipole
159: ok 536 # charge
159: ok 537 # charge
159: ok 538 # charge
159: ok 539 # charge
159: ok 540 # charge
159: ok 541 # charge
159: ok 542 # charge
159: ok 543 # charge
159: ok 544 # charge
159: ok 545 # charge
159: ok 546 # charge
159: ok 547 # charge
159: ok 548 # charge
159: ok 549 # charge
159: ok 550 # charge
159: ok 551 # charge
159: ok 552 # charge
159: ok 553 # charge
159: ok 554 # charge
159: ok 555 # charge
159: ok 556 # charge
159: ok 557 # charge
159: ok 558 # charge
159: ok 559 # charge
159: ok 560 # charge
159: ok 561 # charge
159: ok 562 # charge
159: ok 563 # dipole
159: ok 564 # charge
159: ok 565 # charge
159: ok 566 # charge
159: ok 567 # charge
159: ok 568 # charge
159: ok 569 # charge
159: ok 570 # charge
159: ok 571 # charge
159: ok 572 # charge
159: ok 573 # charge
159: ok 574 # charge
159: ok 575 # charge
159: ok 576 # charge
159: ok 577 # charge
159: ok 578 # charge
159: ok 579 # charge
159: ok 580 # charge
159: ok 581 # charge
159: ok 582 # charge
159: ok 583 # charge
159: ok 584 # charge
159: ok 585 # charge
159: ok 586 # charge
159: ok 587 # charge
159: ok 588 # charge
159: ok 589 # charge
159: ok 590 # charge
159: ok 591 # charge
159: ok 592 # charge
159: ok 593 # charge
159: ok 594 # charge
159: ok 595 # charge
159: ok 596 # charge
159: ok 597 # charge
159: ok 598 # charge
159: ok 599 # charge
159: ok 600 # charge
159: ok 601 # charge
159: ok 602 # charge
159: ok 603 # charge
159: ok 604 # charge
159: ok 605 # charge
159: ok 606 # charge
159: ok 607 # charge
159: ok 608 # charge
159: ok 609 # charge
159: ok 610 # charge
159: ok 611 # charge
159: ok 612 # charge
159: ok 613 # charge
159: ok 614 # charge
159: ok 615 # charge
159: ok 616 # charge
159: ok 617 # charge
159: ok 618 # charge
159: ok 619 # charge
159: ok 620 # charge
159: ok 621 # charge
159: ok 622 # charge
159: ok 623 # charge
159: ok 624 # charge
159: ok 625 # charge
159: ok 626 # charge
159: 1..626
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jkh_bi7.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 6 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jkl_brx.sdf
156/208 Test #159: test_charge_mmff94_1 .............   Passed    0.36 sec
test 164
        Start 164: test_ffmmff94_1
164: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "ffmmff94" "1"
164: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
164: Environment variables: 
164:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
164:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
164: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jkm_bii.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jko_bij.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jkq_vg8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jld_ag1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2jle_i15.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ki5_ac2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2lig_phn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2mas_pir.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2mbr_epu.sdf
162:     angle   (110.080, -19.203,  59.248)  (110.089, -19.195,  59.249)  ( 0.01,  0.04,  0.00)
162:     torsion (  4.856,  -8.992, -13.058)  (  4.856,  -8.992, -13.056)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.131,  -4.357,  -2.302)  (  2.131,  -4.357,  -2.302)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.942,  -0.210,   0.520)  ( -0.942,  -0.210,   0.520)  ( 0.00,  0.00,  0.00)
162: 12       ( 15.143, -27.766, -22.308)  ( 15.177, -27.732, -22.303)  ( 0.23,  0.12,  0.02)
162:     bond    (-47.709,  41.747,  -8.556)  (-47.682,  41.771,  -8.555)  ( 0.06,  0.06,  0.01)
162:     angle   ( 61.470, -59.892,   6.134)  ( 61.477, -59.882,   6.136)  ( 0.01,  0.02,  0.03)
162:     torsion (  0.115,  -3.935, -16.158)  (  0.115,  -3.935, -16.156)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.791,  -6.546,   1.962)  ( -2.791,  -6.546,   1.962)  ( 0.00,  0.00,  0.00)
162:     electro (  4.059,   0.859,  -5.691)  (  4.059,   0.859,  -5.691)  ( 0.00,  0.00,  0.00)
162: 13       (-1137.252, -377.437, -32.765)  (-1137.216, -377.407, -32.759)  ( 0.00,  0.01,  0.02)
162:     bond    (-1094.636, -401.172, -36.735)  (-1094.607, -401.144, -36.730)  ( 0.00,  0.01,  0.01)
162:     angle   (-12.380,   1.580,  -0.589)  (-12.374,   1.581,  -0.589)  ( 0.05,  0.08,  0.01)
162:     torsion (  0.047,   0.779,   1.225)  (  0.047,   0.779,   1.226)  ( 0.00,  0.00,  0.10)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-29.960,  21.326,   3.138)  (-29.959,  21.327,   3.138)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.323,   0.049,   0.196)  ( -0.323,   0.049,   0.196)  ( 0.00,  0.00,  0.00)
162: 14       (260.439, 1601.601,  42.043)  (260.471, 1601.637,  42.053)  ( 0.01,  0.00,  0.03)
162:     bond    (272.029, 1597.553,  19.991)  (272.058, 1597.589,  20.000)  ( 0.01,  0.00,  0.05)
162:     angle   (-14.439,   2.075,   1.537)  (-14.436,   2.075,   1.537)  ( 0.02,  0.00,  0.00)
162:     torsion (  0.332,  -0.786,  20.047)  (  0.332,  -0.786,  20.048)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.662,   2.649,   0.254)  (  2.662,   2.649,   0.254)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.146,   0.111,   0.214)  ( -0.146,   0.111,   0.214)  ( 0.00,  0.00,  0.00)
162: 15       ( 57.542, -120.911, -34.639)  ( 57.578, -120.875, -34.632)  ( 0.06,  0.03,  0.02)
162:     bond    ( 48.171, -80.391,  -8.660)  ( 48.199, -80.365,  -8.659)  ( 0.06,  0.03,  0.01)
162:     angle   ( 10.637, -59.373,  -5.034)  ( 10.644, -59.363,  -5.034)  ( 0.07,  0.02,  0.00)
162:     torsion ( -2.988,  -1.203, -22.337)  ( -2.988,  -1.203, -22.332)  ( 0.00,  0.00,  0.02)
162:     oop     (  0.011,  -0.008,   0.152)  (  0.011,  -0.008,   0.152)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.570,  20.372,   1.417)  (  1.570,  20.373,   1.417)  ( 0.00,  0.00,  0.00)
162:     electro (  0.142,  -0.309,  -0.178)  (  0.142,  -0.309,  -0.178)  ( 0.00,  0.00,  0.00)
162: 16       (-56.235, -50.392,   7.997)  (-56.199, -50.355,   8.005)  ( 0.06,  0.07,  0.09)
162:     bond    ( 12.036, -78.103, -10.446)  ( 12.062, -78.076, -10.445)  ( 0.22,  0.03,  0.01)
162:     angle   (-49.064,  17.676,   7.076)  (-49.055,  17.684,   7.076)  ( 0.02,  0.05,  0.00)
162:     torsion (  0.992,  -0.564,   7.080)  (  0.992,  -0.564,   7.085)  ( 0.02,  0.01,  0.08)
162:     oop     (  0.053,  -0.039,   0.344)  (  0.053,  -0.039,   0.345)  ( 0.00,  0.00,  0.02)
162:     vdw     (-20.514,  10.870,   4.689)  (-20.513,  10.870,   4.688)  ( 0.00,  0.00,  0.00)
162:     electro (  0.261,  -0.231,  -0.745)  (  0.261,  -0.231,  -0.745)  ( 0.00,  0.00,  0.00)
162: 17       (  9.152,  29.790,   6.800)  (  9.187,  29.827,   6.808)  ( 0.38,  0.13,  0.11)
162:     bond    ( 27.062,  61.293,   3.726)  ( 27.088,  61.322,   3.727)  ( 0.09,  0.05,  0.03)
162:     angle   ( 11.473, -19.158,  -4.514)  ( 11.482, -19.150,  -4.513)  ( 0.08,  0.04,  0.00)
162:     torsion (  0.986,  -0.675,   6.162)  (  0.986,  -0.675,   6.167)  ( 0.01,  0.00,  0.09)
162:     oop     ( -0.012,   0.009,  -0.074)  ( -0.012,   0.009,  -0.073)  ( 0.00,  0.00,  0.01)
162:     vdw     (-30.693, -11.779,   1.910)  (-30.693, -11.779,   1.910)  ( 0.00,  0.00,  0.00)
162:     electro (  0.336,   0.100,  -0.410)  (  0.336,   0.100,  -0.410)  ( 0.00,  0.00,  0.00)
162: 18       (-10.892,   2.830,   3.149)  (-10.855,   2.865,   3.156)  ( 0.34,  1.22,  0.23)
162:     bond    (-26.108,  11.489,   3.751)  (-26.079,  11.513,   3.752)  ( 0.11,  0.21,  0.02)
162:     angle   ( 17.655,  11.443,  -0.386)  ( 17.663,  11.452,  -0.386)  ( 0.05,  0.08,  0.01)
162:     torsion (  0.023,  -0.004,   0.922)  (  0.023,  -0.004,   0.928)  ( 0.00,  0.00,  0.52)
162:     oop     (  0.054,  -0.057,   0.611)  (  0.054,  -0.057,   0.612)  ( 0.00,  0.00,  0.05)
162:     vdw     ( -2.621, -20.472,  -1.573)  ( -2.621, -20.472,  -1.573)  ( 0.00,  0.00,  0.00)
162:     electro (  0.104,   0.432,  -0.177)  (  0.104,   0.432,  -0.177)  ( 0.00,  0.00,  0.00)
162: 19       ( -6.706,  41.818,   5.067)  ( -6.670,  41.854,   5.074)  ( 0.53,  0.09,  0.14)
162:     bond    ( 14.817,  44.410,   2.107)  ( 14.843,  44.438,   2.107)  ( 0.18,  0.06,  0.02)
162:     angle   (-43.553,  13.281,   5.879)  (-43.544,  13.290,   5.879)  ( 0.02,  0.06,  0.00)
162:     torsion (  0.360,  -0.156,   1.756)  (  0.360,  -0.156,   1.761)  ( 0.00,  0.00,  0.32)
162:     oop     ( -0.056,   0.054,  -0.676)  ( -0.056,   0.054,  -0.675)  ( 0.00,  0.00,  0.05)
162:     vdw     ( 21.895, -15.986,  -3.850)  ( 21.895, -15.985,  -3.850)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.168,   0.214,  -0.149)  ( -0.168,   0.214,  -0.149)  ( 0.00,  0.00,  0.00)
162: 20       ( 33.861, -14.075,  -4.471)  ( 33.896, -14.037,  -4.464)  ( 0.10,  0.27,  0.17)
162:     bond    (-68.040,   7.618,   7.671)  (-68.016,   7.647,   7.672)  ( 0.04,  0.38,  0.01)
162:     angle   ( 76.836, -12.707,  -9.348)  ( 76.845, -12.699,  -9.347)  ( 0.01,  0.06,  0.00)
162:     torsion (  0.614,   0.590,   2.084)  (  0.614,   0.590,   2.090)  ( 0.00,  0.00,  0.27)
162:     oop     ( -0.077,   0.050,  -0.633)  ( -0.077,   0.050,  -0.633)  ( 0.00,  0.00,  0.04)
162:     vdw     ( 24.478,  -9.518,  -4.065)  ( 24.478,  -9.517,  -4.065)  ( 0.00,  0.01,  0.00)
162:     electro (  0.052,  -0.108,  -0.180)  (  0.052,  -0.108,  -0.180)  ( 0.00,  0.00,  0.00)
162: 21       (-75.195, -94.709, -19.957)  (-75.167, -94.680, -19.932)  ( 0.04,  0.03,  0.13)
162:     bond    ( 19.062, -134.756,  15.494)  ( 19.079, -134.736,  15.511)  ( 0.09,  0.02,  0.11)
162:     angle   (-89.681,  26.976, -66.234)  (-89.670,  26.985, -66.227)  ( 0.01,  0.03,  0.01)
162:     torsion ( -3.611,   9.328,  32.657)  ( -3.611,   9.329,  32.658)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.154,   3.733,  -1.804)  ( -1.154,   3.733,  -1.804)  ( 0.01,  0.00,  0.00)
162:     electro (  0.189,   0.010,  -0.070)  (  0.189,   0.010,  -0.070)  ( 0.00,  0.00,  0.00)
162: 22       (-43.849,  35.946,  22.482)  (-43.823,  35.972,  22.509)  ( 0.06,  0.07,  0.12)
162:     bond    ( -1.607,  16.616,   5.991)  ( -1.588,  16.634,   6.010)  ( 1.16,  0.11,  0.31)
162:     angle   (-44.070,  -0.727,  18.021)  (-44.063,  -0.719,  18.029)  ( 0.02,  0.57,  0.05)
162:     torsion (  0.893,  -0.137,   1.141)  (  0.893,  -0.137,   1.141)  ( 0.01,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.119,  19.447,  -1.705)  (  0.119,  19.448,  -1.705)  ( 0.00,  0.00,  0.00)
162:     electro (  0.815,   0.747,  -0.966)  (  0.815,   0.747,  -0.966)  ( 0.00,  0.00,  0.00)
162: 23       ( 40.128,  62.376, -18.735)  ( 40.155,  62.403, -18.709)  ( 0.07,  0.04,  0.14)
162:     bond    (  7.688,  25.680,  -0.842)  (  7.706,  25.698,  -0.823)  ( 0.23,  0.07,  1.60)
162:     angle   ( 45.824,   9.442,  -7.751)  ( 45.832,   9.449,  -7.744)  ( 0.02,  0.08,  0.09)
162:     torsion (  1.073,  -0.468,   3.006)  (  1.073,  -0.468,   3.006)  ( 0.01,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-15.139,  27.642, -12.904)  (-15.139,  27.642, -12.904)  ( 0.00,  0.00,  0.00)
162:     electro (  0.683,   0.081,  -0.245)  (  0.683,   0.081,  -0.245)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2nm2_neu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2nm3_mpu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2nmt_mim.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2nmv_nml.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2nmx_m25.sdf
164: # Testing MMFF94 Force Field...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2nn1_m28.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2nn7_m29.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2nni_mtk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2nnj_225.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2nnl_erd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2no3_859.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2no6_etv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2no7_ldc.sdf
158: ok 666 # number of heavy atoms match
158: ok 667 # number of heavy atoms match
158: ok 668 # number of heavy atoms match
158: ok 669 # number of heavy atoms match
158: ok 670 # number of heavy atoms match
158: ok 671 # number of heavy atoms match
158: ok 672 # number of heavy atoms match
158: ok 673 # number of heavy atoms match
158: ok 674 # number of heavy atoms match
158: ok 675 # number of heavy atoms match
158: ok 676 # number of heavy atoms match
158: ok 677 # number of heavy atoms match
158: ok 678 # number of heavy atoms match
158: ok 679 # number of heavy atoms match
158: ok 680 # number of heavy atoms match
158: ok 681 # number of heavy atoms match
158: ok 682 # number of heavy atoms match
158: ok 683 # number of heavy atoms match
158: ok 684 # number of heavy atoms match
158: ok 685 # number of heavy atoms match
158: ok 686 # number of heavy atoms match
158: ok 687 # number of heavy atoms match
158: ok 688 # number of heavy atoms match
158: ok 689 # number of heavy atoms match
158: ok 690 # number of heavy atoms match
158: ok 691 # number of heavy atoms match
158: ok 692 # number of heavy atoms match
158: ok 693 # number of heavy atoms match
158: ok 694 # number of heavy atoms match
158: ok 695 # number of heavy atoms match
158: ok 696 # number of heavy atoms match
158: ok 697 # number of heavy atoms match
158: ok 698 # number of heavy atoms match
158: ok 699 # number of heavy atoms match
158: ok 700 # number of heavy atoms match
158: ok 701 # number of heavy atoms match
158: ok 702 # number of heavy atoms match
158: ok 703 # number of heavy atoms match
158: ok 704 # number of heavy atoms match
158: ok 705 # number of heavy atoms match
158: ok 706 # number of heavy atoms match
158: ok 707 # number of heavy atoms match
158: ok 708 # number of heavy atoms match
158: ok 709 # number of heavy atoms match
158: ok 710 # number of heavy atoms match
158: ok 711 # number of heavy atoms match
158: ok 712 # number of heavy atoms match
158: ok 713 # number of heavy atoms match
158: ok 714 # number of heavy atoms match
158: ok 715 # number of heavy atoms match
158: ok 716 # number of heavy atoms match
158: ok 717 # number of heavy atoms match
158: ok 718 # number of heavy atoms match
158: ok 719 # number of heavy atoms match
158: ok 720 # number of heavy atoms match
158: ok 721 # number of heavy atoms match
158: ok 722 # number of heavy atoms match
158: ok 723 # number of heavy atoms match
158: ok 724 # number of heavy atoms match
158: ok 725 # number of heavy atoms match
158: ok 726 # number of heavy atoms match
158: ok 727 # number of heavy atoms match
158: ok 728 # number of heavy atoms match
158: ok 729 # number of heavy atoms match
158: ok 730 # number of heavy atoms match
158: ok 731 # number of heavy atoms match
158: ok 732 # number of heavy atoms match
158: ok 733 # number of heavy atoms match
158: ok 734 # number of heavy atoms match
158: ok 735 # number of heavy atoms match
158: ok 736 # number of heavy atoms match
158: ok 737 # number of heavy atoms match
158: ok 738 # number of heavy atoms match
158: ok 739 # number of heavy atoms match
158: ok 740 # number of heavy atoms match
158: ok 741 # number of heavy atoms match
158: ok 742 # number of heavy atoms match
158: ok 743 # number of heavy atoms match
158: ok 744 # number of heavy atoms match
158: ok 745 # number of heavy atoms match
158: ok 746 # number of heavy atoms match
158: ok 747 # number of heavy atoms match
158: ok 748 # number of heavy atoms match
158: ok 749 # number of heavy atoms match
158: ok 750 # number of heavy atoms match
158: ok 751 # number of heavy atoms match
158: ok 752 # number of heavy atoms match
158: ok 753 # number of heavy atoms match
158: ok 754 # number of heavy atoms match
158: ok 755 # number of heavy atoms match
158: ok 756 # number of heavy atoms match
158: ok 757 # number of heavy atoms match
158: ok 758 # number of heavy atoms match
158: ok 759 # number of heavy atoms match
158: ok 760 # number of heavy atoms match
158: ok 761 # number of heavy atoms match
158: ok 762 # number of heavy atoms match
158: ok 763 # number of heavy atoms match
158: ok 764 # number of heavy atoms match
158: ok 765 # number of heavy atoms match
158: ok 766 # number of heavy atoms match
158: ok 767 # number of heavy atoms match
158: ok 768 # number of heavy atoms match
158: ok 769 # number of heavy atoms match
158: ok 770 # number of heavy atoms match
158: ok 771 # number of heavy atoms match
158: ok 772 # number of heavy atoms match
158: ok 773 # number of heavy atoms match
158: ok 774 # number of heavy atoms match
158: ok 775 # number of heavy atoms match
158: ok 776 # number of heavy atoms match
158: ok 777 # number of heavy atoms match
158: ok 778 # number of heavy atoms match
158: ok 779 # number of heavy atoms match
158: ok 780 # number of heavy atoms match
158: ok 781 # number of heavy atoms match
158: ok 782 # number of heavy atoms match
158: ok 783 # number of heavy atoms match
158: ok 784 # number of heavy atoms match
158: ok 785 # number of heavy atoms match
158: ok 786 # number of heavy atoms match
158: ok 787 # number of heavy atoms match
158: ok 788 # number of heavy atoms match
158: ok 789 # number of heavy atoms match
158: ok 790 # number of heavy atoms match
158: ok 791 # number of heavy atoms match
158: ok 792 # number of heavy atoms match
158: ok 793 # number of heavy atoms match
158: ok 794 # number of heavy atoms match
158: ok 795 # number of heavy atoms match
158: ok 796 # number of heavy atoms match
158: ok 797 # number of heavy atoms match
158: ok 798 # number of heavy atoms match
158: ok 799 # number of heavy atoms match
158: ok 800 # number of heavy atoms match
158: ok 801 # number of heavy atoms match
158: ok 802 # number of heavy atoms match
158: ok 803 # number of heavy atoms match
158: ok 804 # number of heavy atoms match
158: ok 805 # number of heavy atoms match
158: ok 806 # number of heavy atoms match
158: ok 807 # number of heavy atoms match
158: ok 808 # number of heavy atoms match
158: ok 809 # number of heavy atoms match
158: ok 810 # number of heavy atoms match
158: ok 811 # number of heavy atoms match
158: ok 812 # number of heavy atoms match
158: ok 813 # number of heavy atoms match
158: ok 814 # number of heavy atoms match
158: ok 815 # number of heavy atoms match
158: ok 816 # number of heavy atoms match
158: ok 817 # number of heavy atoms match
158: ok 818 # number of heavy atoms match
158: ok 819 # number of heavy atoms match
158: ok 820 # number of heavy atoms match
158: ok 821 # number of heavy atoms match
158: ok 822 # number of heavy atoms match
158: ok 823 # number of heavy atoms match
158: ok 824 # number of heavy atoms match
158: ok 825 # number of heavy atoms match
158: ok 826 # number of heavy atoms match
158: ok 827 # number of heavy atoms match
158: ok 828 # number of heavy atoms match
158: ok 829 # number of heavy atoms match
158: ok 830 # number of heavy atoms match
158: ok 831 # number of heavy atoms match
158: ok 832 # number of heavy atoms match
158: ok 833 # number of heavy atoms match
158: ok 834 # number of heavy atoms match
158: ok 835 # number of heavy atoms match
158: ok 836 # number of heavy atoms match
158: ok 837 # number of heavy atoms match
158: ok 838 # number of heavy atoms match
158: ok 839 # number of heavy atoms match
158: ok 840 # number of heavy atoms match
158: ok 841 # number of heavy atoms match
158: ok 842 # number of heavy atoms match
158: ok 843 # number of heavy atoms match
158: ok 844 # number of heavy atoms match
158: ok 845 # number of heavy atoms match
158: ok 846 # number of heavy atoms match
158: ok 847 # number of heavy atoms match
158: ok 848 # number of heavy atoms match
158: ok 849 # number of heavy atoms match
158: ok 850 # number of heavy atoms match
158: ok 851 # number of heavy atoms match
158: ok 852 # number of heavy atoms match
158: ok 853 # number of heavy atoms match
158: ok 854 # number of heavy atoms match
158: ok 855 # number of heavy atoms match
158: ok 856 # number of heavy atoms match
158: ok 857 # number of heavy atoms match
158: ok 858 # number of heavy atoms match
158: ok 859 # number of heavy atoms match
158: ok 860 # number of heavy atoms match
158: ok 861 # number of heavy atoms match
158: ok 862 # number of heavy atoms match
158: ok 863 # number of heavy atoms match
158: ok 864 # number of heavy atoms match
158: ok 865 # number of heavy atoms match
158: ok 866 # number of heavy atoms match
158: ok 867 # number of heavy atoms match
158: ok 868 # number of heavy atoms match
158: ok 869 # number of heavy atoms match
158: ok 870 # number of heavy atoms match
158: ok 871 # number of heavy atoms match
158: ok 872 # number of heavy atoms match
158: ok 873 # number of heavy atoms match
158: ok 874 # number of heavy atoms match
158: ok 875 # number of heavy atoms match
158: ok 876 # number of heavy atoms match
158: ok 877 # number of heavy atoms match
158: ok 878 # number of heavy atoms match
158: ok 879 # number of heavy atoms match
158: ok 880 # number of heavy atoms match
158: ok 881 # number of heavy atoms match
158: ok 882 # number of heavy atoms match
158: ok 883 # number of heavy atoms match
158: ok 884 # number of heavy atoms match
158: ok 885 # number of heavy atoms match
158: ok 886 # number of heavy atoms match
158: ok 887 # number of heavy atoms match
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2no9_ltt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2noa_3tc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2np6_nea.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2np8_cc3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2npa_mmb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2npf_mou.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2nq6_hm4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2nq7_hm5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2nr9_pqe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2nru_t12.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2nsd_4pi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2nt7_902.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2nta_521.sdf
162: 24       (-35.350,  24.158, -20.842)  (-35.322,  24.186, -20.816)  ( 0.08,  0.12,  0.12)
162:     bond    (-17.074, -20.890,   6.795)  (-17.055, -20.874,   6.814)  ( 0.11,  0.08,  0.28)
162:     angle   (-34.211,  74.889, -31.291)  (-34.202,  74.900, -31.285)  ( 0.03,  0.01,  0.02)
162:     torsion (  0.030,  -0.597,  -2.797)  (  0.030,  -0.597,  -2.797)  ( 0.00,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 15.941, -29.333,   6.141)  ( 15.941, -29.332,   6.141)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.036,   0.090,   0.311)  ( -0.036,   0.090,   0.311)  ( 0.00,  0.00,  0.00)
162: 25       ( -4.005, -35.757,   9.757)  ( -3.978, -35.729,   9.783)  ( 0.68,  0.08,  0.27)
162:     bond    (-19.308, -21.655,   3.878)  (-19.290, -21.638,   3.896)  ( 0.09,  0.08,  0.48)
162:     angle   (-12.970, -44.781,  10.202)  (-12.962, -44.772,  10.210)  ( 0.07,  0.02,  0.08)
162:     torsion (  0.291,  -1.681,  -0.670)  (  0.291,  -1.681,  -0.669)  ( 0.00,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 28.060,  32.404,  -3.626)  ( 28.061,  32.404,  -3.626)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.078,  -0.042,  -0.027)  ( -0.078,  -0.042,  -0.027)  ( 0.00,  0.00,  0.00)
162: 26       (-12.718,  32.035, -17.139)  (-12.693,  32.063, -17.112)  ( 0.20,  0.09,  0.16)
162:     bond    ( 26.194,  -4.992, -20.042)  ( 26.211,  -4.974, -20.024)  ( 0.06,  0.36,  0.09)
162:     angle   (-34.739,  37.730,  -1.113)  (-34.730,  37.740,  -1.104)  ( 0.02,  0.03,  0.80)
162:     torsion ( -1.357,   1.201,   3.532)  ( -1.357,   1.201,   3.533)  ( 0.00,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.664,  -2.061,  -0.071)  ( -2.664,  -2.061,  -0.071)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.152,   0.156,   0.554)  ( -0.152,   0.156,   0.554)  ( 0.00,  0.00,  0.00)
162: 27       (-21.880, -34.632,  -0.479)  (-21.853, -34.605,  -0.453)  ( 0.12,  0.08,  1.27)
162:     bond    (-14.761,  -7.627,  -1.929)  (-14.743,  -7.610,  -1.910)  ( 0.12,  0.23,  0.95)
162:     angle   (-11.619, -28.651,  -4.838)  (-11.610, -28.642,  -4.830)  ( 0.07,  0.03,  0.16)
162:     torsion (  0.246,  -1.631,   2.532)  (  0.246,  -1.631,   2.532)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.254,   3.276,   3.753)  (  4.254,   3.276,   3.753)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.001,   0.001,   0.002)  ( -0.001,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
162: 28       (-68.563,   7.677,  62.614)  (-68.536,   7.704,  62.641)  ( 0.04,  0.35,  0.04)
162:     bond    ( -6.862,  14.567,  27.689)  ( -6.845,  14.586,  27.706)  ( 0.25,  0.13,  0.06)
162:     angle   (-56.818,  -9.228,  33.605)  (-56.808,  -9.219,  33.614)  ( 0.02,  0.09,  0.03)
162:     torsion ( -0.326,   6.423,   2.908)  ( -0.326,   6.423,   2.908)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.961,  -4.071,  -1.336)  ( -6.960,  -4.071,  -1.336)  ( 0.01,  0.00,  0.00)
162:     electro (  2.404,  -0.015,  -0.252)  (  2.404,  -0.015,  -0.252)  ( 0.00,  0.00,  0.00)
162: 29       ( 97.566,  39.234,  49.639)  ( 97.592,  39.261,  49.667)  ( 0.03,  0.07,  0.06)
162:     bond    ( 38.958,   1.760, -15.397)  ( 38.975,   1.780, -15.379)  ( 0.04,  1.10,  0.12)
162:     angle   ( 47.662,  38.092,  64.344)  ( 47.671,  38.100,  64.354)  ( 0.02,  0.02,  0.01)
162:     torsion ( -0.571,  -2.671,   1.376)  ( -0.571,  -2.671,   1.376)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 11.548,   2.593,   0.651)  ( 11.548,   2.593,   0.651)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.031,  -0.541,  -1.335)  ( -0.031,  -0.541,  -1.335)  ( 0.00,  0.00,  0.00)
162: 30       (-211.241,   2.375, -460.366)  (-211.218,   2.392, -460.326)  ( 0.01,  0.73,  0.01)
162:     bond    (-93.984, 105.320, -344.512)  (-93.969, 105.332, -344.479)  ( 0.02,  0.01,  0.01)
162:     angle   (-135.067, -96.566, -99.825)  (-135.060, -96.561, -99.819)  ( 0.01,  0.01,  0.01)
162:     torsion (  3.176,  -4.069,   1.071)  (  3.176,  -4.069,   1.071)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 11.760,  -1.588,  -9.710)  ( 11.761,  -1.588,  -9.710)  ( 0.00,  0.00,  0.00)
162:     electro (  2.875,  -0.722,  -7.390)  (  2.875,  -0.723,  -7.390)  ( 0.00,  0.00,  0.00)
162: 31       ( 84.573, -65.899, 260.818)  ( 84.577, -65.890, 260.838)  ( 0.00,  0.01,  0.01)
162:     bond    (-23.042, -129.937, 215.320)  (-23.041, -129.929, 215.340)  ( 0.01,  0.01,  0.01)
162:     angle   (104.345,  56.237,  45.097)  (104.348,  56.238,  45.097)  ( 0.00,  0.00,  0.00)
162:     torsion ( -1.582,   2.176,   1.144)  ( -1.582,   2.176,   1.144)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  7.150,   6.735,  -1.246)  (  7.150,   6.735,  -1.246)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.298,  -1.110,   0.503)  ( -2.298,  -1.110,   0.503)  ( 0.00,  0.00,  0.00)
162: 32       (153.921,  45.857, 101.832)  (153.929,  45.858, 101.846)  ( 0.01,  0.00,  0.01)
162:     bond    ( 88.385,   2.775, 131.073)  ( 88.390,   2.774, 131.086)  ( 0.01,  0.02,  0.01)
162:     angle   ( 29.465,  35.231, -20.615)  ( 29.466,  35.233, -20.614)  ( 0.00,  0.00,  0.00)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 40.401,   7.952, -10.988)  ( 40.402,   7.952, -10.988)  ( 0.00,  0.00,  0.00)
162:     electro ( -4.330,  -0.101,   2.362)  ( -4.330,  -0.101,   2.362)  ( 0.00,  0.00,  0.00)
162: 33       ( 34.599,   8.773,  17.015)  ( 34.601,   8.792,  17.029)  ( 0.01,  0.23,  0.09)
162:     bond    ( -0.931,  -0.094,  13.188)  ( -0.931,  -0.076,  13.198)  ( 0.00,  0.17,  0.08)
162:     angle   ( 37.679,  -5.459,   3.706)  ( 37.681,  -5.457,   3.710)  ( 0.01,  0.03,  0.12)
162:     torsion ( -2.198,   0.487,  -0.359)  ( -2.198,   0.487,  -0.359)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.106,  13.218,   8.037)  (  6.106,  13.219,   8.037)  ( 0.01,  0.00,  0.00)
162:     electro ( -6.057,   0.619,  -7.557)  ( -6.057,   0.619,  -7.557)  ( 0.00,  0.00,  0.00)
162: 34       ( 33.130,   5.463, -20.134)  ( 33.150,   5.466, -20.118)  ( 0.06,  0.05,  0.08)
162:     bond    ( 36.819,   7.564, -22.250)  ( 36.835,   7.564, -22.238)  ( 0.04,  0.01,  0.06)
162:     angle   ( 20.113,   0.836, -26.169)  ( 20.115,   0.838, -26.166)  ( 0.01,  0.17,  0.01)
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162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-19.554,   7.633,  28.136)  (-19.553,   7.633,  28.136)  ( 0.01,  0.00,  0.00)
162:     electro ( -5.121,  -6.454,   0.526)  ( -5.121,  -6.454,   0.526)  ( 0.00,  0.00,  0.00)
162: 35       ( -1.397,  -2.301,  -2.598)  ( -1.382,  -2.298,  -2.596)  ( 1.02,  0.14,  0.07)
162:     bond    ( -0.207,   0.003,   0.020)  ( -0.193,   0.003,   0.021)  ( 0.30,  0.00,  0.00)
162:     angle   ( -0.154,  -3.078,  -1.048)  ( -0.154,  -3.075,  -1.048)  ( 0.00,  0.10,  0.03)
162:     torsion ( -0.177,   0.616,  -1.738)  ( -0.177,   0.616,  -1.737)  ( 0.00,  0.01,  0.07)
162:     oop     ( -0.010,   0.032,  -0.094)  ( -0.010,   0.032,  -0.094)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.430,   0.011,   0.053)  ( -0.430,   0.011,   0.053)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.419,   0.115,   0.210)  ( -0.419,   0.115,   0.210)  ( 0.00,  0.00,  0.00)
162: 36       ( -3.638,  -2.095,   2.460)  ( -3.633,  -2.084,   2.463)  ( 0.16,  0.52,  0.11)
162:     bond    ( -0.077,   0.125,   0.050)  ( -0.074,   0.135,   0.052)  ( 0.02,  0.13,  0.01)
162:     angle   ( -4.012,  -2.038,  -0.376)  ( -4.009,  -2.037,  -0.376)  ( 0.07,  0.03,  0.00)
162:     torsion (  0.205,  -0.846,   2.500)  (  0.205,  -0.846,   2.501)  ( 0.00,  0.01,  0.05)
162:     oop     ( -0.015,   0.069,  -0.201)  ( -0.015,   0.069,  -0.201)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.199,   0.358,   0.149)  ( -0.199,   0.358,   0.149)  ( 0.00,  0.00,  0.00)
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162:     bond    (  0.399,   0.635,   0.185)  (  0.403,   0.645,   0.186)  ( 0.15,  0.62,  0.02)
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162: 38       (  9.311,   1.352,  -6.637)  (  9.316,   1.363,  -6.634)  ( 0.06,  0.81,  0.04)
162:     bond    (  1.512,  -2.888,  -1.076)  (  1.515,  -2.878,  -1.074)  ( 0.19,  0.35,  0.13)
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162: 39       (  1.298,  -0.194,  -7.079)  (  1.305,  -0.183,  -7.077)  ( 0.51,  0.21,  0.03)
162:     bond    ( -0.224,  -0.345,  -0.086)  ( -0.220,  -0.335,  -0.086)  ( 0.09,  0.33,  0.01)
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162: 41       (-10.604, -14.059,  10.085)  (-10.592, -14.053,  10.085)  ( 0.11,  0.05,  0.01)
162:     bond    ( 13.925,  -8.026,   2.285)  ( 13.936,  -8.022,   2.285)  ( 0.08,  0.04,  0.01)
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162:     electro ( -1.103,  -1.013,   1.492)  ( -1.103,  -1.013,   1.492)  ( 0.00,  0.00,  0.00)
162: 42       (  0.370,   6.728,  -6.496)  (  0.381,   6.735,  -6.494)  ( 0.40,  0.11,  0.03)
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162: 49       (  4.853,  -4.015,  -5.505)  (  4.856,  -4.013,  -5.491)  ( 0.07,  0.05,  0.24)
162:     bond    ( -1.510,   0.203,  -5.553)  ( -1.509,   0.203,  -5.539)  ( 0.07,  0.00,  0.24)
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oaz_i96.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2obd_pcw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2obj_vrv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oc2_rx3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oci_tyc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oem_1ae.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2of2_547.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2of4_979.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2of8_bni.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2off_off.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ofu_1n9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ofv_242.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2og8_1n8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ogy_c2f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ogz_u1n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oh0_2py.sdf
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.168,   2.278,   2.124)  ( -1.168,   2.278,   2.124)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.210,  -0.592,   0.251)  ( -0.210,  -0.592,   0.251)  ( 0.00,  0.00,  0.00)
162: 50       (  6.321, -10.163,   5.748)  (  6.324, -10.150,   5.751)  ( 0.05,  0.13,  0.05)
162:     bond    (  2.117, -12.995,   3.296)  (  2.118, -12.982,   3.297)  ( 0.02,  0.10,  0.03)
162:     angle   ( 23.690,   2.886,  -3.858)  ( 23.692,   2.886,  -3.856)  ( 0.01,  0.01,  0.06)
162:     torsion ( -2.667,  -1.040,  -2.383)  ( -2.667,  -1.040,  -2.383)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-16.674,   1.224,   8.402)  (-16.674,   1.224,   8.402)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.144,  -0.238,   0.291)  ( -0.144,  -0.238,   0.291)  ( 0.00,  0.00,  0.00)
162: 51       (-11.159,   0.824,   1.383)  (-11.152,   0.828,   1.391)  ( 0.07,  0.31,  0.61)
162:     bond    (  1.143,  -0.477,  -1.327)  (  1.148,  -0.476,  -1.320)  ( 0.50,  0.05,  0.56)
162:     angle   (  5.083, -23.043,  12.744)  (  5.085, -23.041,  12.745)  ( 0.03,  0.01,  0.01)
162:     torsion (  1.056,  -0.829,   1.218)  (  1.056,  -0.829,   1.218)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-18.079,  25.401, -11.494)  (-18.079,  25.401, -11.494)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.361,  -0.226,   0.242)  ( -0.361,  -0.226,   0.242)  ( 0.00,  0.00,  0.00)
162: 52       (  1.887, -12.873,   2.635)  (  1.891, -12.862,   2.638)  ( 0.25,  0.09,  0.13)
162:     bond    (  5.865, -12.571,   4.407)  (  5.867, -12.561,   4.409)  ( 0.04,  0.08,  0.03)
162:     angle   (-16.261,  -5.126,   7.034)  (-16.259,  -5.126,   7.035)  ( 0.01,  0.01,  0.03)
162:     torsion (  0.084,  -0.277,  -0.902)  (  0.084,  -0.277,  -0.902)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 12.154,   5.201,  -8.000)  ( 12.154,   5.201,  -7.999)  ( 0.00,  0.00,  0.00)
162:     electro (  0.045,  -0.099,   0.095)  (  0.045,  -0.099,   0.095)  ( 0.00,  0.00,  0.00)
162: 53       ( -4.015,  -6.216,  -4.357)  ( -4.010,  -6.213,  -4.346)  ( 0.14,  0.05,  0.25)
162:     bond    ( -2.836,  -1.117,  -4.722)  ( -2.832,  -1.116,  -4.712)  ( 0.13,  0.05,  0.21)
162:     angle   (  3.989, -18.137,   1.897)  (  3.991, -18.135,   1.898)  ( 0.04,  0.01,  0.04)
162:     torsion ( -0.395,   0.435,   0.134)  ( -0.395,   0.435,   0.134)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.529,  12.962,  -1.841)  ( -4.529,  12.962,  -1.841)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.244,  -0.358,   0.175)  ( -0.244,  -0.358,   0.175)  ( 0.00,  0.00,  0.00)
162: 54       ( 22.763,   4.803,  12.149)  ( 22.766,   4.808,  12.161)  ( 0.01,  0.10,  0.10)
162:     bond    (  0.180,   1.829,  -4.169)  (  0.180,   1.831,  -4.157)  ( 0.00,  0.12,  0.28)
162:     angle   (  0.722,  24.102,  10.649)  (  0.724,  24.104,  10.649)  ( 0.19,  0.01,  0.00)
162:     torsion (  0.581,   0.985,   0.459)  (  0.581,   0.985,   0.459)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 21.197, -22.786,   4.730)  ( 21.197, -22.785,   4.730)  ( 0.00,  0.00,  0.00)
162:     electro (  0.083,   0.673,   0.480)  (  0.083,   0.673,   0.480)  ( 0.00,  0.00,  0.00)
162: 55       ( 21.127,   4.033,  -4.874)  ( 21.130,   4.041,  -4.866)  ( 0.01,  0.21,  0.16)
162:     bond    (  0.015,  -0.237,  -0.235)  (  0.015,  -0.230,  -0.228)  ( 0.00,  0.17,  0.16)
162:     angle   ( 17.782,  11.471, -10.444)  ( 17.784,  11.472, -10.444)  ( 0.01,  0.01,  0.01)
162:     torsion ( -0.521,  -0.663,   0.636)  ( -0.521,  -0.663,   0.636)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.327,  -6.987,   3.715)  (  2.327,  -6.987,   3.715)  ( 0.01,  0.00,  0.00)
162:     electro (  1.525,   0.449,   1.454)  (  1.525,   0.449,   1.454)  ( 0.00,  0.00,  0.00)
162: 56       (  3.908,   1.796, -13.266)  (  3.911,   1.802, -13.254)  ( 0.08,  0.30,  0.09)
162:     bond    (  0.874,   8.800, -15.941)  (  0.874,   8.804, -15.930)  ( 0.01,  0.04,  0.07)
162:     angle   ( -5.575,  -7.591,  -4.500)  ( -5.572,  -7.589,  -4.500)  ( 0.04,  0.02,  0.01)
162:     torsion (  1.423,  -0.373,  -0.128)  (  1.423,  -0.373,  -0.128)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  7.032,   0.080,   6.647)  (  7.033,   0.080,   6.647)  ( 0.01,  0.00,  0.00)
162:     electro (  0.153,   0.879,   0.657)  (  0.153,   0.879,   0.657)  ( 0.00,  0.00,  0.00)
162: 57       ( -0.993,   9.172,   6.879)  ( -0.990,   9.180,   6.888)  ( 0.32,  0.09,  0.12)
162:     bond    ( -0.691,  10.301,  11.010)  ( -0.691,  10.308,  11.018)  ( 0.01,  0.06,  0.07)
162:     angle   (  1.902,  -2.517,   2.472)  (  1.905,  -2.516,   2.473)  ( 0.13,  0.04,  0.04)
162:     torsion ( -1.228,   1.073,  -1.081)  ( -1.228,   1.073,  -1.081)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.546,   0.031,  -5.692)  ( -0.545,   0.031,  -5.692)  ( 0.03,  0.00,  0.00)
162:     electro ( -0.430,   0.284,   0.170)  ( -0.430,   0.284,   0.170)  ( 0.00,  0.00,  0.00)
162: 58       ( -3.180, -10.598,   1.768)  ( -3.177, -10.591,   1.778)  ( 0.08,  0.07,  0.56)
162:     bond    ( -0.166,  -6.219,   7.992)  ( -0.166,  -6.213,   8.001)  ( 0.00,  0.09,  0.11)
162:     angle   ( -4.819,  -4.069,  -3.260)  ( -4.816,  -4.067,  -3.259)  ( 0.05,  0.04,  0.03)
162:     torsion (  1.374,  -1.374,  -1.038)  (  1.374,  -1.374,  -1.038)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.903,   1.531,  -0.692)  (  0.903,   1.531,  -0.692)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.471,  -0.467,  -1.234)  ( -0.471,  -0.467,  -1.234)  ( 0.00,  0.00,  0.00)
162: 59       ( -1.672,  -1.065, -14.649)  ( -1.669,  -1.057, -14.640)  ( 0.19,  0.73,  0.06)
162:     bond    (  1.255,  11.287, -12.325)  (  1.255,  11.294, -12.318)  ( 0.01,  0.06,  0.06)
162:     angle   ( -0.945,   0.841,   0.675)  ( -0.942,   0.842,   0.676)  ( 0.24,  0.09,  0.06)
162:     torsion (  2.095,  -1.868,  -1.500)  (  2.095,  -1.868,  -1.500)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.139, -11.853,  -2.429)  ( -4.138, -11.853,  -2.428)  ( 0.01,  0.00,  0.00)
162:     electro (  0.062,   0.529,   0.929)  (  0.062,   0.529,   0.929)  ( 0.00,  0.00,  0.00)
162: 60       (  4.180,   0.851,  15.801)  (  4.183,   0.856,  15.812)  ( 0.08,  0.44,  0.07)
162:     bond    (  1.295,   8.702,  15.115)  (  1.295,   8.705,  15.125)  ( 0.01,  0.04,  0.07)
162:     angle   ( 15.182,  -5.824,   2.050)  ( 15.184,  -5.823,   2.051)  ( 0.02,  0.03,  0.02)
162:     torsion ( -1.577,   2.708,  -1.424)  ( -1.577,   2.708,  -1.424)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-10.178,  -4.507,  -0.246)  (-10.177,  -4.507,  -0.246)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.543,  -0.228,   0.305)  ( -0.543,  -0.228,   0.305)  ( 0.00,  0.00,  0.00)
162: 61       ( -3.607, -11.430, -21.611)  ( -3.604, -11.416, -21.608)  ( 0.08,  0.11,  0.02)
162:     bond    (  0.549,  -8.292,   2.402)  (  0.549,  -8.280,   2.403)  ( 0.01,  0.16,  0.05)
162:     angle   ( -2.924,  -5.064, -16.780)  ( -2.921,  -5.064, -16.778)  ( 0.08,  0.00,  0.01)
162:     torsion ( -0.304,  -2.407,  -8.223)  ( -0.304,  -2.407,  -8.223)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.536,   3.527,   1.222)  ( -1.536,   3.527,   1.222)  ( 0.02,  0.00,  0.00)
162:     electro (  0.607,   0.806,  -0.231)  (  0.607,   0.806,  -0.231)  ( 0.00,  0.00,  0.00)
162: 62       (-13.552,   3.271,  -1.933)  (-13.548,   3.282,  -1.929)  ( 0.02,  0.35,  0.23)
162:     bond    ( -3.163,  10.307,  -4.939)  ( -3.162,  10.318,  -4.937)  ( 0.03,  0.10,  0.05)
162:     angle   ( -7.456,   1.314,   7.520)  ( -7.454,   1.314,   7.522)  ( 0.03,  0.04,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oh4_gig.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oi0_283.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oiq_sti.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oj9_bmi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ojf_4py.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ojg_19a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ojj_82a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ok1_33a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ole_kr2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2olh_cbi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2om9_aja.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2onb_7pa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2onc_sy1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ony_tmj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ooh_ox3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oow_ox4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ooz_ox5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2op9_wr1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2opa_fhc.sdf
163: ok 1 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (230.770,  15.548,  47.534)  (230.842,  15.637,  47.545)  ( 0.03,  0.58,  0.02)
163:     bond    (121.169,  86.026,  47.443)  (121.228,  86.103,  47.449)  ( 0.05,  0.09,  0.01)
163:     angle   (114.073, -75.278,  10.957)  (114.085, -75.265,  10.959)  ( 0.01,  0.02,  0.02)
163:     torsion (  2.315,   2.076, -10.103)  (  2.315,   2.076, -10.100)  ( 0.00,  0.01,  0.02)
163:     vdw     ( -6.787,   2.723,  -0.763)  ( -6.787,   2.723,  -0.763)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       ( 31.074, -55.193,  28.644)  ( 31.177, -55.120,  28.657)  ( 0.33,  0.13,  0.05)
163:     bond    (105.357, -149.034,  -5.246)  (105.440, -148.979,  -5.239)  ( 0.08,  0.04,  0.14)
163:     angle   (-80.367, 107.149,  -3.347)  (-80.347, 107.165,  -3.343)  ( 0.02,  0.02,  0.11)
163:     torsion (  9.368,  -1.776,  23.908)  (  9.368,  -1.776,  23.910)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -3.283, -11.531,  13.329)  ( -3.283, -11.531,  13.329)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       (-236.753, -106.456, -95.205)  (-236.677, -106.370, -95.193)  ( 0.03,  0.08,  0.01)
163:     bond    (-177.229, -86.227, -64.766)  (-177.165, -86.154, -64.759)  ( 0.04,  0.08,  0.01)
163:     angle   (-70.025, -29.241, -13.562)  (-70.013, -29.228, -13.560)  ( 0.02,  0.04,  0.02)
163:     torsion (  4.874,   3.954, -19.458)  (  4.874,   3.954, -19.456)  ( 0.00,  0.00,  0.01)
163:     vdw     (  5.628,   5.057,   2.581)  (  5.628,   5.057,   2.581)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       (-126.999, -160.981, -84.433)  (-126.935, -160.889, -84.419)  ( 0.05,  0.06,  0.02)
163:     bond    (-234.447,  24.970, -55.738)  (-234.396,  25.050, -55.729)  ( 0.02,  0.32,  0.02)
163:     angle   ( 99.611, -183.568, -21.468)  ( 99.624, -183.556, -21.465)  ( 0.01,  0.01,  0.01)
163:     torsion (  1.884,   1.751,  -6.942)  (  1.884,   1.751,  -6.941)  ( 0.01,  0.01,  0.03)
163:     vdw     (  5.953,  -4.134,  -0.285)  (  5.953,  -4.134,  -0.285)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (-22.500, 327.225,  82.973)  (-22.421, 327.266,  82.984)  ( 0.35,  0.01,  0.01)
163:     bond    ( 38.244, 121.228,  41.806)  ( 38.319, 121.256,  41.813)  ( 0.20,  0.02,  0.02)
163:     angle   (-54.031, 208.040,  36.291)  (-54.027, 208.053,  36.292)  ( 0.01,  0.01,  0.00)
163:     torsion ( -1.949,  -1.946,   7.573)  ( -1.949,  -1.946,   7.574)  ( 0.00,  0.01,  0.02)
163:     vdw     ( -4.764,  -0.097,  -2.696)  ( -4.764,  -0.097,  -2.696)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       ( 32.880, -339.346, -69.860)  ( 32.955, -339.260, -69.851)  ( 0.23,  0.03,  0.01)
163:     bond    ( 86.762, -175.637, -21.392)  ( 86.824, -175.563, -21.387)  ( 0.07,  0.04,  0.02)
163:     angle   (-51.939, -157.049, -49.092)  (-51.926, -157.038, -49.090)  ( 0.03,  0.01,  0.00)
163:     torsion ( -0.579,  -0.614,   2.947)  ( -0.579,  -0.614,   2.949)  ( 0.01,  0.01,  0.08)
163:     vdw     ( -0.865,  -6.374,  -2.432)  ( -0.865,  -6.374,  -2.432)  ( 0.02,  0.00,  0.00)
163:     electro ( -0.499,   0.329,   0.109)  ( -0.499,   0.329,   0.109)  ( 0.00,  0.00,  0.00)
163:  7       (133.858,  88.163,  -4.538)  (133.901,  88.209,  -4.499)  ( 0.03,  0.05,  0.86)
163:     bond    (120.107, -51.316, -45.582)  (120.140, -51.282, -45.553)  ( 0.03,  0.07,  0.06)
163:     angle   ( 14.796, 145.842,  41.461)  ( 14.806, 145.853,  41.471)  ( 0.07,  0.01,  0.02)
163:     torsion ( -0.612,  -0.558,   2.434)  ( -0.612,  -0.558,   2.435)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.433,  -5.805,  -2.852)  ( -0.433,  -5.804,  -2.852)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       ( -8.961,  88.814,  12.903)  ( -8.949,  88.851,  12.924)  ( 0.13,  0.04,  0.16)
163:     bond    (-20.203, 101.675,  18.600)  (-20.201, 101.710,  18.616)  ( 0.01,  0.04,  0.09)
163:     angle   ( 38.037, -13.083,   7.156)  ( 38.047, -13.081,   7.160)  ( 0.03,  0.01,  0.06)
163:     torsion (-21.767,  -2.156,  -9.606)  (-21.768,  -2.156,  -9.606)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -5.028,   2.378,  -3.247)  ( -5.027,   2.378,  -3.247)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  9       ( -1.781,  27.438,   6.210)  ( -1.735,  27.485,   6.259)  ( 2.59,  0.17,  0.79)
163:     bond    ( -2.842, -29.193,  13.720)  ( -2.805, -29.158,  13.757)  ( 1.28,  0.12,  0.27)
163:     angle   ( -6.775,  56.706,  -9.037)  ( -6.765,  56.718,  -9.025)  ( 0.15,  0.02,  0.13)
163:     torsion (  8.642,  -0.633,   2.133)  (  8.642,  -0.634,   2.133)  ( 0.01,  0.02,  0.01)
163:     vdw     ( -0.806,   0.558,  -0.606)  ( -0.806,   0.558,  -0.606)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 10       (121.026,  97.357,  77.519)  (121.076,  97.405,  77.566)  ( 0.04,  0.05,  0.06)
163:     bond    ( 55.916,  58.881,  22.131)  ( 55.952,  58.916,  22.168)  ( 0.06,  0.06,  0.17)
163:     angle   ( 65.497,  37.697,  49.927)  ( 65.510,  37.710,  49.937)  ( 0.02,  0.04,  0.02)
163:     torsion ( -1.399,  -1.243,   5.820)  ( -1.399,  -1.243,   5.820)  ( 0.00,  0.00,  0.01)
163:     vdw     (  1.013,   2.022,  -0.358)  (  1.013,   2.022,  -0.358)  ( 0.01,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       (-178.441,  56.536, -12.123)  (-178.391,  56.584, -12.076)  ( 0.03,  0.09,  0.39)
163:     bond    (-113.413,  39.694, -12.800)  (-113.376,  39.729, -12.764)  ( 0.03,  0.09,  0.28)
163:     angle   (-63.583,  15.799,   0.304)  (-63.571,  15.813,   0.315)  ( 0.02,  0.08,  0.31)
163:     torsion ( -0.164,  -0.169,   0.725)  ( -0.164,  -0.169,   0.726)  ( 0.00,  0.00,  0.03)
163:     vdw     ( -1.281,   1.211,  -0.352)  ( -1.281,   1.211,  -0.352)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (-309.585, 168.570, -61.479)  (-309.474, 168.656, -61.471)  ( 0.04,  0.05,  0.01)
163:     bond    (-261.125, 204.404, -58.888)  (-261.025, 204.475, -58.884)  ( 0.04,  0.03,  0.01)
163:     angle   (-44.453, -44.369,  -0.417)  (-44.442, -44.354,  -0.417)  ( 0.03,  0.03,  0.01)
163:     torsion (  0.061,  -0.086,  -0.605)  (  0.061,  -0.086,  -0.601)  ( 0.00,  0.00,  0.25)
163:     vdw     ( -4.068,   8.620,  -1.569)  ( -4.068,   8.620,  -1.569)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 13       ( 43.845, -102.204,  20.477)  ( 43.934, -102.124,  20.483)  ( 0.20,  0.08,  0.03)
163:     bond    (117.722, -98.093,  27.700)  (117.798, -98.025,  27.703)  ( 0.06,  0.07,  0.01)
163:     angle   (-74.835,  -7.801,  -6.628)  (-74.822,  -7.789,  -6.628)  ( 0.02,  0.15,  0.00)
163:     torsion (  0.024,  -0.039,  -0.234)  (  0.024,  -0.039,  -0.230)  ( 0.00,  0.00,  0.08)
163:     vdw     (  2.133,   2.565,  -0.133)  (  2.133,   2.565,  -0.133)  ( 0.00,  0.00,  0.00)
163:     electro ( -1.199,   1.164,  -0.229)  ( -1.199,   1.164,  -0.229)  ( 0.00,  0.00,  0.00)
163: 14       (-36.109, -48.858,   3.417)  (-36.039, -48.759,   3.424)  ( 0.20,  0.20,  0.21)
163:     bond    (-115.278, -76.367,  -0.800)  (-115.221, -76.279,  -0.797)  ( 0.05,  0.11,  0.30)
163:     angle   ( 71.512,  27.575,   3.506)  ( 71.525,  27.586,   3.506)  ( 0.02,  0.04,  0.01)
163:     torsion (  0.015,  -0.022,  -0.148)  (  0.015,  -0.022,  -0.145)  ( 0.00,  0.00,  0.05)
163:     vdw     (  8.156,  -0.533,   0.952)  (  8.157,  -0.533,   0.952)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.515,   0.489,  -0.092)  ( -0.515,   0.489,  -0.092)  ( 0.00,  0.00,  0.00)
163: 15       ( 33.113,  48.660,  -4.041)  ( 33.209,  48.734,  -4.035)  ( 0.29,  0.15,  0.17)
163:     bond    ( 31.105, 131.273, -16.544)  ( 31.189, 131.334, -16.541)  ( 0.27,  0.05,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2opb_f21.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oph_277.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2opm_ni9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2opn_suf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2opp_hbq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2opy_co9.sdf
162:     torsion ( -2.471,  -0.439,   0.665)  ( -2.471,  -0.439,   0.665)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.193,  -8.816,  -5.036)  ( -1.193,  -8.816,  -5.036)  ( 0.01,  0.00,  0.00)
162:     electro (  0.732,   0.904,  -0.144)  (  0.732,   0.904,  -0.144)  ( 0.00,  0.00,  0.00)
162: 63       ( -1.642,   0.072,   7.768)  ( -1.638,   0.075,   7.781)  ( 0.26,  0.02,  0.16)
162:     bond    (  3.501,   1.811,   9.381)  (  3.502,   1.811,   9.393)  ( 0.05,  0.03,  0.13)
162:     angle   (-11.516,   2.354,   3.839)  (-11.514,   2.356,   3.839)  ( 0.02,  0.09,  0.01)
162:     torsion (  1.522,   1.177,  -0.795)  (  1.522,   1.177,  -0.795)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.241,  -6.128,  -4.764)  (  3.241,  -6.128,  -4.764)  ( 0.01,  0.00,  0.00)
162:     electro (  1.610,   0.859,   0.107)  (  1.610,   0.859,   0.107)  ( 0.00,  0.00,  0.00)
162: 64       (  3.493,   9.960,   4.207)  (    nan,     nan,     nan)  (  nan,   nan,   nan)
162:     bond    (  0.723,   7.398,  -1.973)  (  0.723,   7.412,  -1.972)  ( 0.01,  0.19,  0.05)
162:     angle   ( -0.023,   0.127,   0.468)  ( -0.023,   0.127,   0.470)  ( 0.00,  0.00,  0.09)
162:     torsion (  1.495,  -0.118,   0.105)  (  1.495,  -0.118,   0.105)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (    nan,     nan,     nan)  (  nan,   nan,   nan)
162:     electro (  1.298,   2.553,   5.608)  (  1.298,   2.553,   5.608)  ( 0.00,  0.00,  0.00)
162: 65       (-32.705,   0.634,  27.276)  (    nan,     nan,     nan)  (  nan,   nan,   nan)
162:     bond    (-43.371,  -7.007,   0.973)  (-43.356,  -7.006,   0.974)  ( 0.03,  0.01,  0.02)
162:     angle   (  0.668,  -1.382,  19.777)  (  0.668,  -1.382,  19.779)  ( 0.00,  0.00,  0.01)
162:     torsion ( -0.829,   5.186,   0.390)  ( -0.829,   5.186,   0.390)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (    nan,     nan,     nan)  (  nan,   nan,   nan)
162:     electro ( 10.828,   3.837,   6.135)  ( 10.828,   3.837,   6.135)  ( 0.00,  0.00,  0.00)
162: ok 14 # gradients 
162: ok 15 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (-26.341, 179.695,  84.974)  (-26.307, 179.722,  84.987)  ( 0.13,  0.02,  0.02)
162:     bond    (-80.184,  67.240,  27.668)  (-80.158,  67.259,  27.676)  ( 0.03,  0.03,  0.03)
162:     angle   ( 50.759, 104.743,  70.672)  ( 50.767, 104.749,  70.675)  ( 0.02,  0.01,  0.00)
162:     torsion (  2.429,   7.968, -13.505)  (  2.429,   7.969, -13.502)  ( 0.00,  0.01,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.643,  -0.252,   0.142)  (  0.643,  -0.252,   0.142)  ( 0.00,  0.00,  0.00)
162:     electro (  0.012,  -0.003,  -0.004)  (  0.012,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
162:  2       (-221.600, -93.476, -82.982)  (-221.567, -93.449, -82.969)  ( 0.02,  0.03,  0.02)
162:     bond    (-162.222, -46.795, -64.231)  (-162.197, -46.775, -64.224)  ( 0.02,  0.04,  0.01)
162:     angle   (-55.886, -36.407, -31.703)  (-55.878, -36.401, -31.700)  ( 0.01,  0.02,  0.01)
162:     torsion ( -3.084,  -8.383,  14.257)  ( -3.084,  -8.381,  14.262)  ( 0.01,  0.02,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.426,  -1.691,  -1.215)  ( -0.426,  -1.691,  -1.215)  ( 0.00,  0.00,  0.00)
162:     electro (  0.018,  -0.201,  -0.091)  (  0.018,  -0.201,  -0.091)  ( 0.00,  0.00,  0.00)
162:  3       (733.756, -926.168, -450.739)  (733.785, -926.141, -450.725)  ( 0.00,  0.00,  0.00)
162:     bond    (715.451, -934.338, -440.862)  (715.477, -934.316, -440.850)  ( 0.00,  0.00,  0.00)
162:     angle   ( 16.605,  -5.824,  12.516)  ( 16.607,  -5.819,  12.517)  ( 0.02,  0.08,  0.01)
162:     torsion (  4.699,  13.992, -22.724)  (  4.699,  13.993, -22.722)  ( 0.00,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.952,   0.158,   0.563)  ( -2.951,   0.158,   0.563)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.047,  -0.157,  -0.233)  ( -0.047,  -0.157,  -0.233)  ( 0.00,  0.00,  0.00)
162:  4       (-544.374, 1014.483, 533.741)  (-544.344, 1014.503, 533.751)  ( 0.01,  0.00,  0.00)
162:     bond    (-540.835, 1016.531, 533.608)  (-540.805, 1016.551, 533.618)  ( 0.01,  0.00,  0.00)
162:     angle   ( -0.021,  -0.029,  -0.009)  ( -0.021,  -0.029,  -0.009)  ( 0.00,  0.00,  0.00)
162:     torsion ( -1.023,  -3.191,   1.716)  ( -1.023,  -3.190,   1.716)  ( 0.01,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.669,   1.628,  -1.464)  ( -1.669,   1.628,  -1.463)  ( 0.00,  0.01,  0.00)
162:     electro ( -0.826,  -0.456,  -0.110)  ( -0.826,  -0.456,  -0.110)  ( 0.00,  0.00,  0.00)
162:  5       (-93.744, -300.514, -176.809)  (-93.716, -300.491, -176.798)  ( 0.03,  0.01,  0.01)
162:     bond    (  6.436, -205.333, -129.111)  (  6.461, -205.313, -129.103)  ( 0.38,  0.01,  0.01)
162:     angle   (-90.395, -87.897, -67.119)  (-90.392, -87.894, -67.117)  ( 0.00,  0.00,  0.00)
162:     torsion ( -3.711, -12.855,  20.305)  ( -3.711, -12.855,  20.306)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.999,   3.743,  -2.154)  ( -4.999,   3.743,  -2.154)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.075,   1.829,   1.270)  ( -1.075,   1.828,   1.270)  ( 0.00,  0.00,  0.00)
162:  6       (488.052, -1161.301, 137.157)  (488.083, -1161.275, 137.161)  ( 0.01,  0.00,  0.00)
162:     bond    (484.183, -1164.859, 131.653)  (484.214, -1164.833, 131.657)  ( 0.01,  0.00,  0.00)
162:     angle   (  0.022,   0.028,   0.008)  (  0.022,   0.028,   0.008)  ( 0.00,  0.00,  0.00)
162:     torsion (  1.048,   3.836,   6.817)  (  1.048,   3.836,   6.818)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.975,  -0.747,  -1.547)  (  1.975,  -0.747,  -1.547)  ( 0.00,  0.01,  0.00)
162:     electro (  0.824,   0.441,   0.225)  (  0.824,   0.441,   0.225)  ( 0.00,  0.00,  0.00)
162:  7       (120.329, 342.533, -45.999)  (120.358, 342.564, -45.996)  ( 0.02,  0.01,  0.01)
162:     bond    (  8.785, 239.921, -25.604)  (  8.810, 239.948, -25.604)  ( 0.29,  0.01,  0.00)
162:     angle   (105.569, 108.819, -18.888)  (105.572, 108.823, -18.887)  ( 0.00,  0.00,  0.00)
162:     torsion ( -0.854,  -1.117,   0.334)  ( -0.854,  -1.116,   0.336)  ( 0.00,  0.00,  0.05)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.877,  -2.849,  -2.436)  (  5.877,  -2.848,  -2.436)  ( 0.00,  0.00,  0.00)
162:     electro (  0.952,  -2.242,   0.595)  (  0.952,  -2.242,   0.595)  ( 0.00,  0.00,  0.00)
162:  8       (  9.605, -199.227,  26.960)  (  9.640, -199.192,  26.965)  ( 0.37,  0.02,  0.02)
162:     bond    ( 76.676, -75.909,   3.494)  ( 76.703, -75.882,   3.494)  ( 0.04,  0.04,  0.00)
162:     angle   (-66.537, -124.364,  14.394)  (-66.528, -124.356,  14.394)  ( 0.01,  0.01,  0.00)
162:     torsion (  0.153,   0.851,   8.951)  (  0.153,   0.851,   8.955)  ( 0.00,  0.00,  0.05)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.677,   0.189,   0.125)  ( -0.677,   0.189,   0.125)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.011,   0.005,  -0.004)  ( -0.011,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
162:  9       (234.083, 110.808,  -5.687)  (234.117, 110.843,  -5.681)  ( 0.01,  0.03,  0.09)
162:     bond    (168.822,  63.419, -12.849)  (168.848,  63.446, -12.850)  ( 0.02,  0.04,  0.00)
162:     angle   ( 64.031,  43.820,  -7.539)  ( 64.039,  43.829,  -7.540)  ( 0.01,  0.02,  0.00)
162:     torsion (  0.607,   1.401,  15.070)  (  0.607,   1.401,  15.076)  ( 0.00,  0.00,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oqv_ma9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2or4_qus.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2orj_bm3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oro_228.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2orp_r86.sdf
162:     vdw     (  0.642,   1.953,  -0.380)  (  0.642,   1.953,  -0.380)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.018,   0.214,   0.012)  ( -0.018,   0.214,   0.012)  ( 0.00,  0.00,  0.00)
162: 10       (-703.642, 1063.270, -121.206)  (-703.612, 1063.304, -121.199)  ( 0.00,  0.00,  0.01)
162:     bond    (-668.979, 1057.194, -118.164)  (-668.952, 1057.223, -118.160)  ( 0.00,  0.00,  0.00)
162:     angle   (-36.514,   9.643,  24.582)  (-36.512,   9.649,  24.582)  ( 0.01,  0.06,  0.00)
162:     torsion ( -0.835,  -3.339, -28.417)  ( -0.835,  -3.339, -28.415)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.621,  -0.462,   0.922)  (  2.621,  -0.462,   0.922)  ( 0.00,  0.00,  0.00)
162:     electro (  0.065,   0.232,  -0.128)  (  0.065,   0.232,  -0.128)  ( 0.00,  0.00,  0.00)
162: 11       (-92.037, -219.425,  15.503)  (-92.011, -219.395,  15.528)  ( 0.03,  0.01,  0.16)
162:     bond    (-44.807, -79.240,   7.516)  (-44.789, -79.219,   7.535)  ( 0.04,  0.03,  0.25)
162:     angle   (-49.035, -135.591,   4.959)  (-49.028, -135.582,   4.965)  ( 0.02,  0.01,  0.11)
162:     torsion (  0.089,   0.165,   2.005)  (  0.089,   0.165,   2.006)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.297,  -4.237,   1.078)  (  1.297,  -4.237,   1.078)  ( 0.01,  0.00,  0.00)
162:     electro (  0.420,  -0.522,  -0.056)  (  0.420,  -0.522,  -0.056)  ( 0.00,  0.00,  0.00)
162: 12       ( -8.510,  24.281,  -8.300)  ( -8.498,  24.288,  -8.299)  ( 0.14,  0.03,  0.01)
162:     bond    (  3.190,   1.811,  -0.170)  (  3.201,   1.815,  -0.170)  ( 0.35,  0.20,  0.00)
162:     angle   (-13.096,  23.042,  -0.548)  (-13.096,  23.044,  -0.548)  ( 0.01,  0.01,  0.01)
162:     torsion ( -0.096,  -0.535,  -7.539)  ( -0.096,  -0.535,  -7.538)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.157,   0.114,   0.005)  ( -0.157,   0.114,   0.005)  ( 0.00,  0.00,  0.00)
162:     electro (  1.650,  -0.151,  -0.048)  (  1.650,  -0.151,  -0.048)  ( 0.00,  0.00,  0.00)
162: 13       (-29.862, -44.197,   2.041)  (-29.853, -44.188,   2.043)  ( 0.03,  0.02,  0.08)
162:     bond    (  5.580,  -5.166,   0.418)  (  5.588,  -5.160,   0.418)  ( 0.14,  0.13,  0.00)
162:     angle   (-36.346, -38.897,   5.727)  (-36.345, -38.895,   5.727)  ( 0.00,  0.01,  0.00)
162:     torsion ( -0.092,  -0.424,  -4.005)  ( -0.092,  -0.424,  -4.003)  ( 0.00,  0.00,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.083,   0.130,  -0.072)  (  1.083,   0.130,  -0.072)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.087,   0.160,  -0.027)  ( -0.087,   0.160,  -0.027)  ( 0.00,  0.00,  0.00)
162: 14       ( 94.864, 200.588, 114.433)  ( 94.890, 200.617, 114.459)  ( 0.03,  0.01,  0.02)
162:     bond    ( 41.007,  67.471,  46.997)  ( 41.024,  67.492,  47.016)  ( 0.04,  0.03,  0.04)
162:     angle   ( 56.551, 129.171,  64.070)  ( 56.559, 129.179,  64.077)  ( 0.01,  0.01,  0.01)
162:     torsion ( -0.117,  -0.306,   0.514)  ( -0.117,  -0.306,   0.514)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.106,   3.726,   2.744)  ( -2.106,   3.726,   2.744)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.472,   0.526,   0.108)  ( -0.472,   0.526,   0.108)  ( 0.00,  0.00,  0.00)
162: 15       ( 11.332, -23.890, -12.754)  ( 11.343, -23.885, -12.750)  ( 0.10,  0.02,  0.03)
162:     bond    ( -2.993,  -1.390,  -1.422)  ( -2.983,  -1.388,  -1.420)  ( 0.34,  0.16,  0.16)
162:     angle   ( 15.978, -21.946, -12.114)  ( 15.979, -21.944, -12.114)  ( 0.01,  0.01,  0.00)
162:     torsion ( -0.194,  -0.653,   1.044)  ( -0.194,  -0.652,   1.045)  ( 0.00,  0.02,  0.09)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.155,  -0.116,  -0.022)  (  0.155,  -0.116,  -0.022)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.614,   0.215,  -0.241)  ( -1.614,   0.215,  -0.241)  ( 0.00,  0.00,  0.00)
162: 16       ( 26.763,  36.848,  27.200)  ( 26.773,  36.856,  27.202)  ( 0.04,  0.02,  0.01)
162:     bond    ( -5.931,   4.794,   1.716)  ( -5.922,   4.800,   1.717)  ( 0.14,  0.11,  0.04)
162:     angle   ( 33.396,  31.558,  26.977)  ( 33.398,  31.559,  26.977)  ( 0.00,  0.00,  0.00)
162:     torsion (  0.258,   0.709,  -1.097)  (  0.258,   0.710,  -1.095)  ( 0.00,  0.03,  0.11)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.068,  -0.086,  -0.304)  ( -1.068,  -0.086,  -0.304)  ( 0.00,  0.00,  0.00)
162:     electro (  0.107,  -0.127,  -0.093)  (  0.107,  -0.127,  -0.093)  ( 0.00,  0.00,  0.00)
162: 17       ( 39.771, 101.216,  64.066)  ( 39.773, 101.229,  64.071)  ( 0.01,  0.01,  0.01)
162:     bond    (-11.976,  98.669,  56.715)  (-11.975,  98.681,  56.720)  ( 0.01,  0.01,  0.01)
162:     angle   ( 48.261,   1.230,   8.049)  ( 48.263,   1.230,   8.049)  ( 0.00,  0.00,  0.00)
162:     torsion (  0.146,   0.573,  -0.966)  (  0.146,   0.573,  -0.965)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.339,   0.040,   0.283)  (  0.339,   0.040,   0.283)  ( 0.00,  0.00,  0.00)
162:     electro (  3.000,   0.705,  -0.016)  (  3.000,   0.705,  -0.016)  ( 0.00,  0.00,  0.00)
162: 18       (-53.140, -113.275,  31.092)  (-53.138, -113.259,  31.093)  ( 0.00,  0.01,  0.00)
162:     bond    (  4.991, -112.248,  19.822)  (  4.991, -112.231,  19.823)  ( 0.01,  0.01,  0.01)
162:     angle   (-55.366,  -1.628,   4.725)  (-55.364,  -1.628,   4.725)  ( 0.00,  0.00,  0.00)
162:     torsion (  0.578,   1.299,   7.208)  (  0.578,   1.299,   7.209)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.375,  -0.137,   0.175)  ( -0.375,  -0.137,   0.175)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.967,  -0.562,  -0.839)  ( -2.967,  -0.562,  -0.839)  ( 0.00,  0.00,  0.00)
162: 19       (-37.239, -77.614, -48.643)  (-37.232, -77.608, -48.638)  ( 0.02,  0.01,  0.01)
162:     bond    ( 30.052, -29.778, -24.026)  ( 30.058, -29.773, -24.023)  ( 0.02,  0.02,  0.02)
162:     angle   (-68.561, -48.606, -25.545)  (-68.559, -48.605, -25.544)  ( 0.00,  0.00,  0.00)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.009,   1.029,   1.006)  (  1.009,   1.029,   1.006)  ( 0.00,  0.00,  0.00)
162:     electro (  0.260,  -0.259,  -0.078)  (  0.260,  -0.259,  -0.078)  ( 0.00,  0.00,  0.00)
162: 20       (-37.541, -23.181, -49.158)  (-37.534, -23.177, -49.150)  ( 0.02,  0.02,  0.02)
162:     bond    (-33.425,  15.800, -36.942)  (-33.419,  15.801, -36.934)  ( 0.02,  0.01,  0.02)
162:     angle   ( -4.258, -39.416, -13.011)  ( -4.257, -39.414, -13.010)  ( 0.02,  0.01,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.023,   0.938,   1.148)  ( -0.023,   0.938,   1.148)  ( 0.00,  0.00,  0.00)
162:     electro (  0.165,  -0.503,  -0.353)  (  0.165,  -0.503,  -0.353)  ( 0.00,  0.00,  0.00)
162: 21       (-29.750, -59.500,  -4.073)  (-29.744, -59.493,  -4.066)  ( 0.02,  0.01,  0.16)
162:     bond    (-27.296, -32.763,  28.653)  (-27.292, -32.757,  28.657)  ( 0.02,  0.02,  0.02)
162:     angle   ( -2.475, -26.642, -32.810)  ( -2.474, -26.640, -32.808)  ( 0.05,  0.00,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.103,   0.375,   0.081)  (  0.103,   0.375,   0.081)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.081,  -0.470,   0.003)  ( -0.081,  -0.470,   0.003)  ( 0.00,  0.00,  0.00)
162: 22       ( 44.369,  65.787, -26.990)  ( 44.381,  65.790, -26.986)  ( 0.03,  0.00,  0.02)
162:     bond    ( 46.695,   0.174, -23.767)  ( 46.707,   0.175, -23.764)  ( 0.02,  0.00,  0.01)
162:     angle   ( -2.385,  67.344,  -4.194)  ( -2.385,  67.346,  -4.193)  ( 0.02,  0.00,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2orq_msr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2orr_333.sdf
164: ok 1 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : 
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ors_391.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ort_342.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2osc_muh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ot1_n3p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ouz_c3d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ov4_aqp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ovv_pfh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ovy_pfj.sdf
164:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
164:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
164:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
164:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
164:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
164:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
164:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
164:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
164:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
164:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
164:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
164:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
164:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
164:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
164:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
164:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
164:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
164:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
164:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
164:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
164:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
164:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
164:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
164:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
164:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
164:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
164:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
164:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
164:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
164:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
164:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
164:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
164:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
164:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
164:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
164:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
164:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
164:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
164:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
164:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
164:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
164:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
164:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
164:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
164:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
164:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
164:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
164:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
164:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
164:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
164:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
164:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
164:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
164:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
164:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
164:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
164:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
164:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
164:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
164:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
164:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
164:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
164:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
164: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
164:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
164:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
164:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
164:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
164:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
164: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
164:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
164:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
164:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
164:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
164:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
164:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
164: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ow3_bim.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ow6_nk1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ow7_nk2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ow9_sp6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oxd_k32.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oxx_k22.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oxy_k17.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oye_im8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oyf_iac.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oyq_n5p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oyu_ims.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oz0_pyr.sdf
164:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
164:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
164:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
164:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
164:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
164:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
164: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
164:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
164:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
164:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
164:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
164: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
164:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
164:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
164:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
164:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
164: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
164:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
164:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
164:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
164:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
164:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
164:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
164: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
164:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
164:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
164:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
164:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
164:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
164: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
164:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
164:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
164:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
164:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
164:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
164: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
164:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
164:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
164:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
164:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
164:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
164:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
164: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
164:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
164:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
164:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
164:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
164:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
164:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
164: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
164:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
164:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
164:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
164:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
164:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
164:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
164:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
164: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
164:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
164:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
164:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
164:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
164:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
164:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
164: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
164:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
164:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
164:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
164:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
164:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
164: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
164:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2oz7_ca4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ozr_gg1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p15_ezt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p16_gg2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p1n_cfa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p1s_gfg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p1t_3tn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p1u_4tn.sdf
163:     angle   ( -1.857, -74.929,  11.143)  ( -1.845, -74.917,  11.143)  ( 0.64,  0.02,  0.00)
163:     torsion (  0.027,  -0.039,  -0.263)  (  0.027,  -0.039,  -0.260)  ( 0.00,  0.00,  0.08)
163:     vdw     (  3.027,  -7.745,   1.526)  (  3.027,  -7.745,   1.526)  ( 0.00,  0.00,  0.00)
163:     electro (  0.811,   0.101,   0.097)  (  0.811,   0.101,   0.097)  ( 0.00,  0.00,  0.00)
163: 16       (121.317,  -1.933,  14.143)  (121.404,  -1.852,  14.149)  ( 0.07,  4.20,  0.04)
163:     bond    (133.239, -68.848,  24.454)  (133.314, -68.779,  24.457)  ( 0.06,  0.10,  0.01)
163:     angle   (-10.468,  68.924, -10.394)  (-10.456,  68.937, -10.394)  ( 0.12,  0.02,  0.00)
163:     torsion (  0.005,  -0.025,  -0.143)  (  0.005,  -0.024,  -0.140)  ( 0.00,  0.00,  0.05)
163:     vdw     ( -2.434,  -2.403,   0.153)  ( -2.434,  -2.403,   0.153)  ( 0.00,  0.00,  0.00)
163:     electro (  0.975,   0.417,   0.073)  (  0.975,   0.417,   0.073)  ( 0.00,  0.00,  0.00)
163: 17       (-325.590, 298.031, -75.555)  (-325.500, 298.136, -75.547)  ( 0.03,  0.04,  0.01)
163:     bond    (-371.855, 211.563, -66.837)  (-371.779, 211.658, -66.833)  ( 0.02,  0.04,  0.01)
163:     angle   ( 55.346,  85.009,  -7.558)  ( 55.360,  85.020,  -7.558)  ( 0.03,  0.01,  0.00)
163:     torsion (  0.036,  -0.026,  -0.174)  (  0.037,  -0.026,  -0.170)  ( 0.00,  0.00,  0.06)
163:     vdw     ( -9.118,   1.484,  -0.986)  ( -9.118,   1.484,  -0.986)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 18       (164.570, -216.301,  59.167)  (164.657, -216.222,  59.174)  ( 0.05,  0.04,  0.01)
163:     bond    (138.178, -139.130,  38.931)  (138.251, -139.065,  38.934)  ( 0.05,  0.05,  0.01)
163:     angle   ( 25.727, -77.475,  12.790)  ( 25.740, -77.460,  12.791)  ( 0.05,  0.02,  0.00)
163:     torsion ( -0.695,   0.990,   6.900)  ( -0.695,   0.990,   6.903)  ( 0.00,  0.01,  0.04)
163:     vdw     (  2.153,  -5.046,   0.612)  (  2.153,  -5.046,   0.612)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.792,   4.359,  -0.065)  ( -0.792,   4.359,  -0.065)  ( 0.00,  0.00,  0.00)
163: 19       (-965.766, 2663.086, -575.860)  (-965.690, 2663.170, -575.850)  ( 0.01,  0.00,  0.00)
163:     bond    (-1418.917, 2382.703, -443.048)  (-1418.856, 2382.777, -443.040)  ( 0.00,  0.00,  0.00)
163:     angle   (447.095, 281.029, -129.732)  (447.109, 281.038, -129.733)  ( 0.00,  0.00,  0.00)
163:     torsion (  0.024,   0.039,   0.308)  (  0.024,   0.039,   0.309)  ( 0.00,  0.00,  0.05)
163:     vdw     (  6.033,  -0.685,  -3.387)  (  6.033,  -0.685,  -3.387)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 20       (114.232, -437.606,  83.440)  (114.289, -437.539,  83.444)  ( 0.05,  0.02,  0.00)
163:     bond    (358.499, -354.381,  86.813)  (358.545, -354.320,  86.816)  ( 0.01,  0.02,  0.00)
163:     angle   (-245.243, -83.323,  -1.702)  (-245.232, -83.318,  -1.702)  ( 0.00,  0.01,  0.01)
163:     torsion (  0.110,  -0.237,  -1.547)  (  0.110,  -0.237,  -1.546)  ( 0.00,  0.00,  0.07)
163:     vdw     (  0.866,   0.335,  -0.124)  (  0.866,   0.335,  -0.124)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 21       (1412.002, -2219.798, 590.177)  (1412.038, -2219.762, 590.203)  ( 0.00,  0.00,  0.00)
163:     bond    (1625.070, -1930.637, 478.096)  (1625.097, -1930.605, 478.116)  ( 0.00,  0.00,  0.00)
163:     angle   (-197.172, -290.361, 113.648)  (-197.163, -290.357, 113.653)  ( 0.00,  0.00,  0.00)
163:     torsion (  0.078,  -0.157,  -1.123)  (  0.078,  -0.157,  -1.123)  ( 0.00,  0.00,  0.02)
163:     vdw     (-21.130,   1.015,  -0.657)  (-21.129,   1.015,  -0.657)  ( 0.00,  0.00,  0.00)
163:     electro (  5.156,   0.342,   0.213)  (  5.156,   0.342,   0.213)  ( 0.00,  0.00,  0.00)
163: 22       (-366.659, -78.515, -15.951)  (-366.643, -78.496, -15.948)  ( 0.00,  0.02,  0.02)
163:     bond    (-171.955, -219.996, -39.220)  (-171.945, -219.980, -39.219)  ( 0.01,  0.01,  0.00)
163:     angle   (-23.182,  13.743,  24.534)  (-23.181,  13.744,  24.536)  ( 0.01,  0.01,  0.01)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (-160.520, 122.573,  -1.512)  (-160.516, 122.575,  -1.512)  ( 0.00,  0.00,  0.03)
163:     electro (-11.002,   5.165,   0.246)  (-11.002,   5.165,   0.246)  ( 0.00,  0.00,  0.00)
163: 23       (-22.584,  54.833,   6.425)  (-22.566,  54.848,   6.428)  ( 0.08,  0.03,  0.05)
163:     bond    ( 15.086,  13.833,   6.673)  ( 15.101,  13.845,   6.676)  ( 0.09,  0.09,  0.04)
163:     angle   (-45.622,  49.256,   1.036)  (-45.620,  49.258,   1.036)  ( 0.01,  0.01,  0.01)
163:     torsion (  0.047,   0.044,  -0.198)  (  0.047,   0.044,  -0.198)  ( 0.00,  0.00,  0.01)
163:     vdw     (  7.493,  -8.141,  -1.046)  (  7.493,  -8.141,  -1.046)  ( 0.00,  0.00,  0.00)
163:     electro (  0.412,  -0.158,  -0.040)  (  0.412,  -0.158,  -0.040)  ( 0.00,  0.00,  0.00)
163: 24       (-16.608, -19.937, -12.909)  (-16.604, -19.911, -12.905)  ( 0.02,  0.13,  0.03)
163:     bond    ( -3.330, -18.505,   2.198)  ( -3.329, -18.479,   2.198)  ( 0.02,  0.14,  0.01)
163:     angle   (-13.113,  -0.092, -20.627)  (-13.110,  -0.092, -20.624)  ( 0.02,  0.00,  0.02)
163:     torsion (  0.001,  -0.003,  -0.022)  (  0.001,  -0.003,  -0.022)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.167,  -1.338,   5.543)  ( -0.167,  -1.338,   5.543)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 25       ( 11.683,   5.989,  18.013)  ( 11.692,   5.996,  18.033)  ( 0.07,  0.12,  0.11)
163:     bond    ( 19.057,  11.460,  31.582)  ( 19.064,  11.462,  31.601)  ( 0.03,  0.02,  0.06)
163:     angle   (-13.425,  45.799,  -8.517)  (-13.423,  45.803,  -8.516)  ( 0.02,  0.01,  0.01)
163:     torsion ( -0.014,  -0.022,   0.017)  ( -0.014,  -0.022,   0.017)  ( 0.00,  0.00,  0.00)
163:     vdw     (  6.066, -51.248,  -5.069)  (  6.066, -51.246,  -5.069)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 26       (  0.724, -29.231,  -9.886)  (  0.729, -29.220,  -9.867)  ( 0.37,  0.04,  0.20)
163:     bond    (  4.372,  -9.327, -14.621)  (  4.374,  -9.320, -14.603)  ( 0.04,  0.08,  0.13)
163:     angle   ( -0.345, -31.995,  20.315)  ( -0.342, -31.992,  20.316)  ( 0.13,  0.01,  0.00)
163:     torsion ( -6.009,   0.002,  -1.801)  ( -6.009,   0.002,  -1.801)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.706,  12.090, -13.779)  (  2.706,  12.090, -13.778)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 27       (-25.773,  20.839,  -2.648)  (-25.754,  20.850,  -2.643)  ( 0.07,  0.06,  0.18)
163:     bond    (-26.324,  19.256,  -7.192)  (-26.307,  19.266,  -7.191)  ( 0.07,  0.05,  0.02)
163:     angle   ( -1.773,  -2.324,   0.259)  ( -1.772,  -2.322,   0.263)  ( 0.07,  0.11,  0.09)
163:     torsion (  2.286,   4.628,   4.034)  (  2.286,   4.628,   4.034)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.038,  -0.721,   0.252)  (  0.038,  -0.721,   0.252)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 28       ( 31.717,  10.764,   4.950)  ( 31.735,  10.776,   4.955)  ( 0.06,  0.11,  0.10)
163:     bond    ( 24.691,  19.128,   8.139)  ( 24.707,  19.138,   8.140)  ( 0.07,  0.05,  0.02)
163:     angle   (  4.802,  -5.862,  -0.807)  (  4.803,  -5.860,  -0.803)  ( 0.04,  0.04,  0.26)
163:     torsion (  3.079,  -3.340,  -1.493)  (  3.079,  -3.340,  -1.494)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.855,   0.838,  -0.889)  ( -0.855,   0.838,  -0.889)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 29       ( 17.273,  -9.621,   3.628)  ( 17.287,  -9.611,   3.639)  ( 0.08,  0.11,  0.30)
163:     bond    ( 27.772, -19.828,  22.921)  ( 27.785, -19.821,  22.930)  ( 0.05,  0.03,  0.04)
163:     angle   ( -7.655, -43.113, -27.996)  ( -7.653, -43.111, -27.993)  ( 0.03,  0.01,  0.01)
163:     torsion ( -0.003,   0.001,   0.005)  ( -0.003,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.841,  53.319,   8.698)  ( -2.841,  53.320,   8.698)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 30       (  8.872,   4.980, -31.183)  (  8.880,   4.987, -31.164)  ( 0.10,  0.15,  0.06)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p1v_5tn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p2h_994.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p2i_608.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p33_j07.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p37_m13.sdf
164:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
164:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
164:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
164: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
164:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
164:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
164:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
164:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
164:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
164:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
164:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
164:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
164:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
164:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
164:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
164:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
164:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
164:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
164:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
164:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
164:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
164:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
164:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
164:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
164:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
164:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
164:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
164:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
164:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
164:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
164:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
164:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
164:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
164:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
164:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
164:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
164:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
164:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
164:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
164:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
164:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
164: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
164:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
164:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
164:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
164:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
164: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
164:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
164:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
164:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
164: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
164:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
164:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
164:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
164: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
164:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
164:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
164:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
164:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
164:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
164: ok 2 # gradients 
164: ok 3 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p3l_g3a.sdf
164:  1       (  0.018,  -0.341,  -0.002)  (  0.027,  -0.334,  -0.000)  ( 0.02,  0.23,  0.00)
164:     bond    (  5.237,   0.172,   1.390)  (  5.245,   0.178,   1.391)  ( 0.15,  0.09,  0.04)
164:     angle   ( -3.469,   1.277,  -0.875)  ( -3.468,   1.279,  -0.875)  ( 0.03,  0.14,  0.01)
164:     strbnd  (  1.478,   0.534,   0.407)  (  1.477,   0.533,   0.407)  ( 0.04,  0.03,  0.00)
164:     torsion ( -0.001,  -0.000,   0.002)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.604,  -0.435,  -0.173)  ( -0.604,  -0.435,  -0.173)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.623,  -1.889,  -0.753)  ( -2.623,  -1.889,  -0.753)  ( 0.00,  0.00,  0.00)
164:  2       ( -0.035,   0.614,  -0.000)  ( -0.026,   0.621,   0.002)  ( 0.03,  0.42,  0.00)
164:     bond    ( -4.097,   4.193,  -0.946)  ( -4.089,   4.199,  -0.946)  ( 0.20,  0.13,  0.06)
164:     angle   (  6.070,  -3.235,   1.494)  (  6.071,  -3.233,   1.494)  ( 0.02,  0.06,  0.02)
164:     strbnd  ( -2.009,  -0.344,  -0.542)  ( -2.010,  -0.344,  -0.542)  ( 0.03,  0.02,  0.00)
164:     torsion (  0.001,   0.000,  -0.005)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,   0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  3       (  0.063,   0.140,   0.024)  (  0.065,   0.142,   0.025)  ( 0.01,  0.04,  0.00)
164:     bond    (  1.119,   1.704,   0.350)  (  1.120,   1.706,   0.350)  ( 0.10,  0.15,  0.00)
164:     angle   (  1.146,  -0.809,   0.277)  (  1.146,  -0.809,   0.277)  ( 0.03,  0.02,  0.00)
164:     strbnd  ( -0.382,  -0.759,  -0.125)  ( -0.382,  -0.759,  -0.125)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.001,  -0.000,   0.003)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.717,  -0.020,  -0.190)  ( -0.717,  -0.020,  -0.190)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.101,   0.024,  -0.290)  ( -1.101,   0.024,  -0.290)  ( 0.00,  0.00,  0.00)
164:  4       ( -0.062,   0.129,  -0.016)  ( -0.061,   0.132,  -0.016)  ( 0.01,  0.04,  0.00)
164:     bond    (  1.259,  -2.407,   0.256)  (  1.260,  -2.404,   0.256)  ( 0.06,  0.12,  0.00)
164:     angle   (  2.423,   1.342,   0.683)  (  2.423,   1.343,   0.683)  ( 0.02,  0.01,  0.00)
164:     strbnd  ( -0.083,   0.405,  -0.009)  ( -0.083,   0.405,  -0.009)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.868,  -0.122,  -0.761)  ( -2.868,  -0.122,  -0.761)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.793,   0.911,  -0.180)  ( -0.793,   0.911,  -0.180)  ( 0.00,  0.00,  0.00)
164:  5       (  0.040,  -0.110,   0.006)  (  0.041,  -0.107,   0.006)  ( 0.01,  0.03,  0.00)
164:     bond    ( -0.396,   0.799,  -0.079)  ( -0.395,   0.802,  -0.079)  ( 0.03,  0.24,  0.00)
164:     angle   ( -2.535,  -1.318,  -0.711)  ( -2.535,  -1.318,  -0.711)  ( 0.02,  0.01,  0.00)
164:     strbnd  (  0.514,  -0.809,   0.110)  (  0.514,  -0.809,   0.110)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.000,   0.000,  -0.002)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.567,  -0.187,   0.144)  (  0.567,  -0.187,   0.144)  ( 0.00,  0.00,  0.00)
164:     electro (  1.889,   1.405,   0.544)  (  1.889,   1.405,   0.544)  ( 0.00,  0.00,  0.00)
164:  6       (  0.390,  -0.270,   0.111)  (  0.397,  -0.259,   0.113)  ( 0.24,  0.29,  0.02)
164:     bond    ( -3.396,  -4.839,  -1.050)  ( -3.390,  -4.829,  -1.049)  ( 0.15,  0.21,  0.05)
164:     angle   ( -3.250,   2.439,  -0.769)  ( -3.249,   2.440,  -0.768)  ( 0.03,  0.02,  0.06)
164:     strbnd  (  0.484,   0.974,   0.159)  (  0.484,   0.974,   0.159)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.001,  -0.000,   0.004)  ( -0.001,  -0.000,   0.004)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.977,   0.183,   0.792)  (  2.977,   0.183,   0.792)  ( 0.00,  0.00,  0.00)
164:     electro (  3.577,   0.972,   0.975)  (  3.577,   0.972,   0.975)  ( 0.00,  0.00,  0.00)
164:  7       ( -0.447,  -0.202,  -0.130)  ( -0.443,  -0.195,  -0.129)  ( 0.18,  0.16,  0.01)
164:     bond    (  0.245,   0.341,   0.076)  (  0.249,   0.348,   0.077)  ( 0.10,  0.26,  0.00)
164:     angle   ( -0.389,   0.299,  -0.100)  ( -0.389,   0.299,  -0.099)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.646,   0.581,   0.189)  (  0.646,   0.581,   0.189)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.949,  -1.423,  -0.296)  ( -0.949,  -1.423,  -0.296)  ( 0.00,  0.00,  0.00)
164: ok 4 # gradients 
164: ok 5 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p3o_gta.sdf
164:  1       ( -0.124,   0.344,  -0.637)  ( -0.119,   0.347,  -0.633)  ( 0.06,  0.09,  0.26)
164:     bond    (  4.786,   0.643,  -1.120)  (  4.790,   0.648,  -1.116)  ( 0.08,  0.30,  0.40)
164:     angle   ( -4.248,  -1.205,   2.065)  ( -4.246,  -1.204,   2.067)  ( 0.04,  0.13,  0.09)
164:     strbnd  (  1.309,   0.175,  -0.296)  (  1.308,   0.175,  -0.297)  ( 0.05,  0.01,  0.02)
164:     torsion (  0.038,  -0.180,   0.270)  (  0.038,  -0.180,   0.270)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,   0.019,   0.011)  ( -0.000,   0.016,   0.009)  ( 0.00,  0.01,  0.00)
164:     vdw     ( -0.992,   0.534,  -0.937)  ( -0.992,   0.534,  -0.937)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.018,   0.358,  -0.630)  ( -1.018,   0.358,  -0.630)  ( 0.00,  0.00,  0.00)
164:  2       (  0.112,  -0.042,   0.049)  (  0.120,  -0.042,   0.054)  ( 0.08,  0.00,  0.03)
164:     bond    ( -6.313,   3.829,  -6.633)  ( -6.307,   3.832,  -6.625)  ( 0.09,  0.07,  0.12)
164:     angle   ( 14.795,   1.490,  -2.461)  ( 14.798,   1.491,  -2.460)  ( 0.02,  0.05,  0.06)
164:     strbnd  ( -8.362,  -5.365,   9.214)  ( -8.362,  -5.366,   9.212)  ( 0.01,  0.01,  0.02)
164:     torsion ( -0.008,  -0.021,  -0.086)  ( -0.008,  -0.021,  -0.086)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,   0.026,   0.015)  (  0.000,   0.022,   0.012)  ( 0.00,  0.01,  0.00)
164:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  3       ( -0.084,  -0.011,   0.022)  ( -0.082,  -0.014,   0.025)  ( 0.02,  0.00,  0.01)
164:     bond    ( -1.795,  -1.762,   3.022)  ( -1.793,  -1.760,   3.028)  ( 0.11,  0.11,  0.18)
164:     angle   ( -8.883,   2.272,  -3.938)  ( -8.882,   2.272,  -3.938)  ( 0.01,  0.00,  0.00)
164:     strbnd  (  5.080,   5.487,  -9.440)  (  5.080,   5.487,  -9.440)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.000,  -0.052,  -0.030)  (  0.000,  -0.052,  -0.030)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,   0.025,   0.014)  ( -0.000,   0.020,   0.012)  ( 0.00,  0.01,  0.00)
164:     vdw     (  2.113,   0.148,  -0.250)  (  2.113,   0.148,  -0.250)  ( 0.00,  0.00,  0.00)
164:     electro (  3.400,  -6.130,  10.644)  (  3.400,  -6.130,  10.644)  ( 0.00,  0.00,  0.00)
164:  4       ( -0.053,  -0.027,   0.018)  ( -0.044,   0.028,   0.054)  ( 0.05,  0.15,  0.06)
164:     bond    (  1.797,  -0.285,   0.335)  (  1.804,  -0.284,   0.341)  ( 0.39,  0.05,  0.18)
164:     angle   ( -6.314,   1.453,  -2.828)  ( -6.313,   1.453,  -2.827)  ( 0.03,  0.02,  0.04)
164:     strbnd  (  0.607,  -1.012,   1.791)  (  0.607,  -1.012,   1.791)  ( 0.01,  0.01,  0.02)
164:     torsion (  0.002,   0.484,   0.279)  (  0.002,   0.484,   0.279)  ( 0.00,  0.02,  0.00)
164:     oop     (  0.001,  -0.313,  -0.179)  (  0.001,  -0.260,  -0.148)  ( 0.00,  1.66,  0.54)
164:     vdw     (  3.855,  -0.353,   0.619)  (  3.855,  -0.353,   0.619)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  5       (  0.018,   0.028,  -0.035)  (  0.020,   0.006,  -0.045)  ( 0.00,  0.06,  0.03)
164:     bond    ( -2.157,  -2.229,   3.948)  ( -2.156,  -2.228,   3.951)  ( 0.04,  0.04,  0.08)
164:     angle   ( -0.484,   0.182,  -0.161)  ( -0.483,   0.182,  -0.161)  ( 0.03,  0.00,  0.00)
164:     strbnd  (  0.577,   0.505,  -0.902)  (  0.577,   0.505,  -0.902)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.003,  -0.213,  -0.121)  ( -0.003,  -0.213,  -0.121)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,   0.125,   0.071)  (  0.000,   0.102,   0.058)  ( 0.00,  0.29,  0.09)
164:     vdw     (  1.088,  -0.556,   0.972)  (  1.088,  -0.556,   0.972)  ( 0.00,  0.00,  0.00)
164:     electro (  0.996,   2.213,  -3.840)  (  0.996,   2.213,  -3.840)  ( 0.00,  0.00,  0.00)
164:  6       (  0.021,   0.003,  -0.007)  (  0.026,  -0.014,  -0.016)  ( 0.01,  0.01,  0.01)
164:     bond    (  3.250,   0.122,  -0.167)  (  3.255,   0.122,  -0.167)  ( 0.15,  0.00,  0.00)
164:     angle   (  0.458,  -3.605,   6.307)  (  0.458,  -3.605,   6.308)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( -0.266,  -0.042,   0.065)  ( -0.266,  -0.042,   0.065)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.001,  -0.156,  -0.091)  (  0.001,  -0.156,  -0.091)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.001,   0.118,   0.067)  ( -0.001,   0.101,   0.058)  ( 0.00,  0.20,  0.07)
164:     vdw     ( -0.044,   0.008,  -0.015)  ( -0.044,   0.008,  -0.015)  ( 0.00,  0.00,  0.00)
164:     electro ( -3.378,   3.559,  -6.174)  ( -3.378,   3.559,  -6.174)  ( 0.00,  0.00,  0.00)
164:  7       ( -0.050,  -0.182,   0.030)  ( -0.049,  -0.179,   0.030)  ( 0.00,  0.06,  0.00)
164:     bond    (  0.021,   0.069,  -0.002)  (  0.021,   0.073,  -0.002)  ( 0.00,  0.02,  0.00)
164:     angle   (  1.553,  -0.437,   0.860)  (  1.553,  -0.437,   0.860)  ( 0.03,  0.00,  0.04)
164:     strbnd  (  0.368,   0.645,  -0.047)  (  0.368,   0.645,  -0.047)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.015,   0.001,  -0.149)  ( -0.015,   0.001,  -0.149)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.977,  -0.460,  -0.633)  ( -1.977,  -0.460,  -0.633)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  8       ( -0.053,   0.067,   0.183)  ( -0.052,   0.068,   0.186)  ( 0.00,  0.01,  0.05)
164:     bond    (  0.017,  -0.029,  -0.055)  (  0.018,  -0.028,  -0.053)  ( 0.00,  0.00,  0.01)
164:     angle   (  1.567,  -0.533,   0.815)  (  1.568,  -0.532,   0.815)  ( 0.03,  0.02,  0.01)
164:     strbnd  (  0.370,  -0.276,  -0.582)  (  0.370,  -0.276,  -0.582)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.016,   0.130,  -0.075)  ( -0.016,   0.130,  -0.075)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.992,   0.775,   0.081)  ( -1.992,   0.775,   0.081)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  9       (  0.179,  -0.202,   0.342)  (  0.180,  -0.201,   0.344)  ( 0.02,  0.02,  0.08)
164:     bond    (  0.367,  -0.375,   0.641)  (  0.368,  -0.374,   0.643)  ( 0.02,  0.03,  0.13)
164:     angle   (  1.546,   0.380,  -0.664)  (  1.547,   0.380,  -0.664)  ( 0.03,  0.01,  0.01)
164:     strbnd  (  0.317,  -0.116,   0.199)  (  0.317,  -0.116,   0.199)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.052,  -0.097,   0.162)  ( -2.052,  -0.097,   0.162)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: ok 6 # gradients 
164: ok 7 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p3q_gp3.sdf
164:  1       (  0.431,   0.382,   0.004)  (  0.436,   0.388,   0.009)  ( 0.22,  0.23,  0.00)
164:     bond    ( -4.893,   2.856,  -3.005)  ( -4.889,   2.861,  -3.000)  ( 0.09,  0.16,  0.15)
164:     angle   (  1.859,  -4.639,   2.751)  (  1.861,  -4.637,   2.752)  ( 0.10,  0.04,  0.06)
164:     strbnd  (  0.352,  -0.450,   0.642)  (  0.351,  -0.450,   0.641)  ( 0.05,  0.03,  0.04)
164:     torsion ( -0.296,  -0.439,   0.009)  ( -0.296,  -0.439,   0.009)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  5.689,   2.322,   0.608)  (  5.689,   2.322,   0.608)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.279,   0.731,  -1.001)  ( -2.279,   0.731,  -1.001)  ( 0.00,  0.00,  0.00)
164:  2       ( -0.776,  -0.622,  -0.218)  ( -0.780,  -0.606,  -0.189)  ( 0.23,  0.97,  0.62)
164:     bond    (  7.306,  -2.470,   3.157)  (  7.312,  -2.468,   3.158)  ( 0.07,  0.08,  0.02)
164:     angle   (  2.892,   8.647,  -4.003)  (  2.893,   8.648,  -4.002)  ( 0.01,  0.02,  0.01)
164:     strbnd  (-10.808,  -7.207,  -0.152)  (-10.809,  -7.207,  -0.152)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.221,   0.486,   0.955)  ( -0.221,   0.486,   0.955)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.054,  -0.078,  -0.175)  (  0.045,  -0.066,  -0.147)  ( 0.04,  0.09,  0.48)
164:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  3       (  0.077,  -0.215,  -0.263)  (  0.077,  -0.212,  -0.263)  ( 0.01,  0.07,  0.02)
164:     bond    (  0.045,   0.977,   0.187)  (  0.045,   0.980,   0.187)  ( 0.00,  0.32,  0.00)
164:     angle   ( -5.704,   0.511,  -1.299)  ( -5.703,   0.511,  -1.299)  ( 0.01,  0.00,  0.04)
164:     strbnd  ( -0.435,   0.449,  -0.226)  ( -0.435,   0.449,  -0.226)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.156,  -0.037,   0.231)  ( -0.156,  -0.037,   0.231)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  6.326,  -2.115,   0.844)  (  6.326,  -2.115,   0.844)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  4       ( -0.154,  -0.035,   0.283)  ( -0.151,  -0.034,   0.284)  ( 0.04,  0.00,  0.03)
164:     bond    ( -0.518,  -0.212,   0.225)  ( -0.515,  -0.211,   0.226)  ( 0.13,  0.01,  0.01)
164:     angle   (  0.309,  -0.045,   0.666)  (  0.310,  -0.044,   0.666)  ( 0.01,  0.00,  0.03)
164:     strbnd  ( -0.108,   0.417,  -0.398)  ( -0.108,   0.418,  -0.398)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.012,  -0.211,  -0.225)  ( -0.012,  -0.211,  -0.225)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.175,   0.014,   0.016)  (  0.175,   0.014,   0.016)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  5       ( -0.220,  -0.180,  -0.107)  ( -0.219,  -0.179,  -0.104)  ( 0.01,  0.01,  0.04)
164:     bond    (  0.005,  -0.076,  -0.456)  (  0.005,  -0.076,  -0.453)  ( 0.00,  0.00,  0.15)
164:     angle   ( -1.188,  -0.996,   0.154)  ( -1.187,  -0.996,   0.154)  ( 0.05,  0.05,  0.00)
164:     strbnd  ( -0.441,   0.249,  -0.473)  ( -0.441,   0.249,  -0.473)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.429,   0.568,  -0.091)  (  0.429,   0.568,  -0.091)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.975,   0.076,   0.758)  (  0.975,   0.076,   0.758)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  6       (  0.815,   1.141,  -0.215)  (  0.856,   1.101,  -0.316)  ( 3.35,  3.49,  2.17)
164:     bond    ( -0.770,  -0.798,   0.110)  ( -0.761,  -0.793,   0.112)  ( 0.74,  0.41,  0.02)
164:     angle   ( -6.533,  -4.058,  -0.587)  ( -6.531,  -4.056,  -0.587)  ( 0.02,  0.05,  0.02)
164:     strbnd  ( 13.048,   4.199,   2.149)  ( 13.046,   4.199,   2.149)  ( 0.02,  0.01,  0.01)
164:     torsion (  0.259,  -0.370,  -0.890)  (  0.259,  -0.370,  -0.889)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.183,   0.268,   0.599)  ( -0.151,   0.221,   0.495)  ( 0.59,  1.25,  6.20)
164:     vdw     ( -5.005,   1.900,  -1.595)  ( -5.005,   1.900,  -1.595)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  7       ( -0.169,  -0.110,  -0.044)  ( -0.176,  -0.088,   0.004)  ( 0.13,  0.25,  0.21)
164:     bond    ( -1.232,   0.565,  -0.626)  ( -1.226,   0.566,  -0.625)  ( 0.52,  0.08,  0.10)
164:     angle   ( -0.414,  -0.699,   0.179)  ( -0.414,  -0.698,   0.179)  ( 0.01,  0.04,  0.00)
164:     strbnd  ( -1.351,   0.487,  -0.628)  ( -1.351,   0.487,  -0.628)  ( 0.01,  0.00,  0.00)
164:     torsion ( -0.063,   0.092,   0.208)  ( -0.063,   0.092,   0.208)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.065,  -0.095,  -0.213)  (  0.051,  -0.074,  -0.167)  ( 0.09,  0.19,  0.98)
164:     vdw     ( -0.079,   0.007,  -0.027)  ( -0.079,   0.007,  -0.027)  ( 0.00,  0.00,  0.00)
164:     electro (  2.906,  -0.466,   1.064)  (  2.906,  -0.466,   1.064)  ( 0.00,  0.00,  0.00)
164:  8       ( -0.035,  -0.388,   0.541)  ( -0.043,  -0.371,   0.574)  ( 0.03,  0.66,  1.76)
164:     bond    (  0.028,  -0.862,   0.394)  (  0.028,  -0.860,   0.395)  ( 0.00,  0.24,  0.02)
164:     angle   (  8.772,   1.272,   2.136)  (  8.772,   1.272,   2.136)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( -0.253,   1.856,  -0.912)  ( -0.253,   1.856,  -0.912)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.061,  -0.089,  -0.197)  (  0.061,  -0.089,  -0.197)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.065,  -0.096,  -0.213)  (  0.055,  -0.081,  -0.181)  ( 0.06,  0.14,  0.68)
164:     vdw     ( -8.081,  -2.204,  -0.604)  ( -8.081,  -2.204,  -0.604)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.627,  -0.265,  -0.063)  ( -0.627,  -0.265,  -0.063)  ( 0.00,  0.00,  0.00)
164: ok 8 # gradients 
164: ok 9 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p3t_993.sdf
164:  1       (  6.021,  -8.841,  15.336)  (  6.025,  -8.837,  15.339)  ( 0.07,  0.04,  0.02)
164:     bond    ( 13.697, -19.381,  33.622)  ( 13.700, -19.379,  33.624)  ( 0.02,  0.02,  0.01)
164:     angle   ( -4.188,   5.759,  -9.944)  ( -4.187,   5.761,  -9.942)  ( 0.03,  0.02,  0.02)
164:     strbnd  ( -3.294,   4.646,  -8.104)  ( -3.295,   4.645,  -8.105)  ( 0.02,  0.01,  0.01)
164:     torsion ( -0.194,   0.135,  -0.238)  ( -0.194,   0.135,  -0.238)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  2       ( -9.933,  -2.704,   4.639)  ( -9.929,  -2.699,   4.644)  ( 0.04,  0.19,  0.11)
164:     bond    (-13.151,   0.001,   0.002)  (-13.148,   0.005,   0.006)  ( 0.03,  0.00,  0.00)
164:     angle   ( -5.431,  -2.186,   3.739)  ( -5.429,  -2.184,   3.741)  ( 0.03,  0.08,  0.04)
164:     strbnd  (  4.098,  -2.031,   3.530)  (  4.097,  -2.031,   3.529)  ( 0.04,  0.02,  0.01)
164:     torsion ( -0.000,   0.166,  -0.285)  (  0.000,   0.166,  -0.285)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  3       (  3.813,   8.396,   5.795)  (  3.819,   8.400,   5.800)  ( 0.14,  0.05,  0.09)
164:     bond    (  4.362,  12.392,  -0.017)  (  4.366,  12.395,  -0.013)  ( 0.09,  0.03,  0.01)
164:     angle   (  3.888,   4.351,   3.744)  (  3.890,   4.353,   3.746)  ( 0.05,  0.04,  0.04)
164:     strbnd  (  0.568,  -4.531,   3.529)  (  0.568,  -4.532,   3.529)  ( 0.03,  0.03,  0.01)
164:     torsion (  0.479,  -0.170,   0.882)  (  0.479,  -0.170,   0.882)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  4       (  3.726,  -9.185,  -4.409)  (  3.731,  -9.180,  -4.405)  ( 0.14,  0.05,  0.09)
164:     bond    (  4.377,  -6.197, -10.754)  (  4.381,  -6.194, -10.751)  ( 0.09,  0.06,  0.03)
164:     angle   (  3.836,  -5.397,  -1.958)  (  3.837,  -5.396,  -1.956)  ( 0.05,  0.03,  0.09)
164:     strbnd  (  0.555,  -0.774,   5.727)  (  0.555,  -0.774,   5.725)  ( 0.03,  0.04,  0.02)
164:     torsion (  0.478,  -0.675,   0.585)  (  0.478,  -0.675,   0.585)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  5       ( -2.313,  28.066,   0.105)  ( -2.312,  28.068,   0.106)  ( 0.04,  0.01,  0.01)
164:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
164:     angle   (  1.760,   0.623,  -0.007)  (  1.760,   0.623,  -0.006)  ( 0.03,  0.00,  0.00)
164:     strbnd  ( -1.908,  -0.349,   0.000)  ( -1.908,  -0.349,   0.000)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.000,   0.152)  (  0.000,   0.000,   0.152)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  6       ( -9.233, -13.275,  23.034)  ( -9.232, -13.274,  23.036)  ( 0.01,  0.01,  0.01)
164:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
164:     angle   (  1.828,  -0.303,   0.571)  (  1.829,  -0.302,   0.572)  ( 0.02,  0.01,  0.01)
164:     strbnd  ( -1.910,   0.171,  -0.295)  ( -1.910,   0.171,  -0.295)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  7       ( -2.162, -14.129, -24.316)  ( -2.161, -14.129, -24.314)  ( 0.04,  0.01,  0.01)
164:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
164:     angle   (  1.840,  -0.299,  -0.578)  (  1.840,  -0.299,  -0.578)  ( 0.02,  0.01,  0.01)
164:     strbnd  ( -1.909,   0.172,   0.297)  ( -1.909,   0.172,   0.297)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.133,   0.077)  (  0.000,  -0.133,   0.077)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  8       ( 27.568,  -1.841,  -1.569)  ( 27.570,  -1.840,  -1.569)  ( 0.01,  0.04,  0.04)
164:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
164:     angle   ( -0.000,  -1.856,  -0.010)  (  0.000,  -1.856,  -0.009)  ( 0.00,  0.03,  0.00)
164:     strbnd  (  0.304,   1.915,  -0.000)  (  0.304,   1.915,  -0.000)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.000,  -0.469)  (  0.000,   0.000,  -0.469)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  9       (-11.584,  11.851,  21.981)  (-11.583,  11.852,  21.983)  ( 0.01,  0.01,  0.01)
164:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
164:     angle   ( -0.885,  -1.619,   0.574)  ( -0.885,  -1.619,   0.574)  ( 0.03,  0.02,  0.01)
164:     strbnd  (  0.798,   1.743,  -0.296)  (  0.798,   1.743,  -0.296)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.382,   0.135,  -0.234)  ( -0.382,   0.135,  -0.234)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 10       (-10.930,   9.420, -22.678)  (-10.929,   9.421, -22.676)  ( 0.01,  0.01,  0.01)
164:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
164:     angle   ( -0.882,  -1.631,  -0.581)  ( -0.882,  -1.630,  -0.581)  ( 0.03,  0.02,  0.01)
164:     strbnd  (  0.799,   1.742,   0.299)  (  0.799,   1.742,   0.299)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.001,  -0.000,  -0.001)  (  0.001,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 11       ( 27.570,   2.262,   0.809)  ( 27.573,   2.263,   0.809)  ( 0.01,  0.03,  0.05)
164:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
164:     angle   (  0.001,   0.926,   1.618)  (  0.001,   0.926,   1.618)  ( 0.00,  0.04,  0.03)
164:     strbnd  (  0.305,  -0.958,  -1.660)  (  0.305,  -0.958,  -1.660)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,   0.407,  -0.235)  ( -0.000,   0.407,  -0.235)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 12       (-10.972,  14.917, -19.519)  (-10.971,  14.918, -19.517)  ( 0.01,  0.01,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p3u_663.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p41_g1g.sdf
164:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
164:     angle   ( -0.889,   1.308,   1.118)  ( -0.889,   1.309,   1.119)  ( 0.03,  0.03,  0.02)
164:     strbnd  (  0.798,  -1.129,  -1.364)  (  0.798,  -1.129,  -1.364)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 13       (-11.601, -24.965,   0.763)  (-11.600, -24.963,   0.763)  ( 0.01,  0.01,  0.05)
164:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
164:     angle   ( -0.888,   0.315,   1.704)  ( -0.887,   0.315,   1.705)  ( 0.03,  0.00,  0.03)
164:     strbnd  (  0.799,  -0.614,  -1.659)  (  0.799,  -0.614,  -1.659)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.381,   0.135,  -0.233)  ( -0.381,   0.135,  -0.233)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: ok 10 # gradients 
164: ok 11 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p4i_mr9.sdf
164:  1       (-94.849, 134.077, -232.261)  (-94.840, 134.085, -232.257)  ( 0.01,  0.01,  0.00)
164:     bond    (-98.615, 139.541, -241.698)  (-98.607, 139.548, -241.694)  ( 0.01,  0.01,  0.00)
164:     angle   (-17.077,  24.042, -41.606)  (-17.076,  24.043, -41.605)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( 20.845, -29.505,  51.044)  ( 20.845, -29.506,  51.044)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.002,  -0.001,  -0.002)  ( -0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  2       (267.229,   1.097,  -1.985)  (267.239,   1.101,  -1.981)  ( 0.00,  0.37,  0.20)
164:     bond    (324.092,   0.002,   0.003)  (324.102,   0.005,   0.006)  ( 0.00,  0.00,  0.00)
164:     angle   ( -7.067,  -9.049,  15.613)  ( -7.066,  -9.047,  15.614)  ( 0.02,  0.02,  0.01)
164:     strbnd  (-54.347,   8.796, -15.254)  (-54.349,   8.796, -15.255)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,   0.001,  -0.000)  (  0.000,   0.001,  -0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  3       (-92.994, -251.370,  -1.993)  (-92.989, -251.361,  -1.989)  ( 0.01,  0.00,  0.20)
164:     bond    (-108.221, -305.529,  -0.016)  (-108.218, -305.520,  -0.013)  ( 0.00,  0.00,  0.00)
164:     angle   ( 10.871,   3.619,  15.618)  ( 10.872,   3.621,  15.619)  ( 0.01,  0.04,  0.01)
164:     strbnd  (  9.840,  54.186, -15.254)  (  9.840,  54.184, -15.254)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.001,  -0.000,   0.003)  (  0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  4       (-92.879, 127.455, 216.653)  (-92.874, 127.461, 216.661)  ( 0.01,  0.00,  0.00)
164:     bond    (-107.982, 152.791, 264.561)  (-107.978, 152.795, 264.568)  ( 0.00,  0.00,  0.00)
164:     angle   ( 10.825, -15.317,   4.617)  ( 10.827, -15.315,   4.619)  ( 0.01,  0.01,  0.03)
164:     strbnd  (  9.798, -13.878, -54.515)  (  9.798, -13.878, -54.516)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  5       ( 14.020,  33.684,  -0.046)  ( 14.021,  33.686,  -0.046)  ( 0.01,  0.01,  0.00)
164:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
164:     angle   (  2.316,   0.820,  -0.007)  (  2.316,   0.820,  -0.006)  ( 0.02,  0.00,  0.00)
164:     strbnd  ( 13.869,   5.072,   0.000)  ( 13.869,   5.072,   0.000)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  6       (  7.090, -16.075,  27.884)  (  7.091, -16.074,  27.886)  ( 0.01,  0.01,  0.01)
164:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
164:     angle   (  2.371,  -0.399,   0.737)  (  2.371,  -0.398,   0.737)  ( 0.02,  0.01,  0.01)
164:     strbnd  ( 13.871,  -2.534,   4.389)  ( 13.871,  -2.534,   4.389)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  7       ( 14.159, -16.794, -29.238)  ( 14.160, -16.793, -29.236)  ( 0.01,  0.01,  0.01)
164:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
164:     angle   (  2.378,  -0.394,  -0.743)  (  2.378,  -0.394,  -0.742)  ( 0.02,  0.01,  0.01)
164:     strbnd  ( 13.873,  -2.530,  -4.384)  ( 13.873,  -2.530,  -4.384)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.001,   0.000)  (  0.000,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  8       ( 27.412, -19.113,  -1.101)  ( 27.414, -19.112,  -1.100)  ( 0.01,  0.00,  0.05)
164:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
164:     angle   ( -0.000,  -2.447,  -0.010)  (  0.000,  -2.447,  -0.009)  ( 0.00,  0.02,  0.00)
164:     strbnd  (  0.148, -14.767,  -0.000)  (  0.148, -14.767,  -0.000)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  9       (-19.291,  -2.738,  27.067)  (-19.291,  -2.737,  27.069)  ( 0.00,  0.04,  0.01)
164:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
164:     angle   ( -1.157,  -2.100,   0.740)  ( -1.157,  -2.099,   0.740)  ( 0.03,  0.02,  0.01)
164:     strbnd  ( -7.020, -12.229,   4.389)  ( -7.020, -12.229,   4.389)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 10       (-19.016,  -5.032, -27.526)  (-19.015,  -5.031, -27.524)  ( 0.00,  0.02,  0.01)
164:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
164:     angle   ( -1.152,  -2.108,  -0.747)  ( -1.152,  -2.107,  -0.746)  ( 0.03,  0.02,  0.01)
164:     strbnd  ( -7.016, -12.234,  -4.385)  ( -7.016, -12.234,  -4.385)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.001,  -0.000,  -0.000)  (  0.001,  -0.000,  -0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 11       ( 27.424,  10.493,  15.999)  ( 27.427,  10.494,  16.000)  ( 0.01,  0.01,  0.00)
164:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
164:     angle   (  0.001,   1.221,   2.128)  (  0.001,   1.221,   2.129)  ( 0.00,  0.03,  0.02)
164:     strbnd  (  0.159,   7.384,  12.785)  (  0.159,   7.384,  12.785)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 12       (-19.052,  26.348,  -9.424)  (-19.051,  26.349,  -9.422)  ( 0.00,  0.00,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p4y_c03.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p53_nng.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p54_735.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p55_mra.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p59_gg4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p6f_gn8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p6g_3lp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p71_ihd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p7a_43m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p7t_1em.sdf
164:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
164:     angle   ( -1.160,   1.692,   1.451)  ( -1.160,   1.692,   1.451)  ( 0.03,  0.02,  0.01)
164:     strbnd  ( -7.010,   9.918,   8.398)  ( -7.010,   9.918,   8.398)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 13       (-19.294, -22.069,  15.940)  (-19.293, -22.066,  15.940)  ( 0.00,  0.01,  0.00)
164:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
164:     angle   ( -1.157,   0.410,   2.200)  ( -1.157,   0.410,   2.200)  ( 0.03,  0.00,  0.02)
164:     strbnd  ( -7.007,   2.322,  12.788)  ( -7.007,   2.322,  12.788)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.002,  -0.001,   0.001)  (  0.002,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: ok 12 # gradients 
164: ok 13 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p8b_nsk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p8o_bva.sdf
163:     bond    ( 14.300,  12.483, -24.570)  ( 14.306,  12.488, -24.553)  ( 0.04,  0.04,  0.07)
163:     angle   ( -5.491,  -6.853,  -6.683)  ( -5.488,  -6.850,  -6.681)  ( 0.05,  0.05,  0.02)
163:     torsion ( -0.006,   0.007,   0.000)  ( -0.006,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.068,  -0.657,   0.070)  (  0.068,  -0.657,   0.070)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 31       (-38.803,  21.558,  -3.759)  (-38.796,  21.575,  -3.747)  ( 0.02,  0.08,  0.31)
163:     bond    ( -9.767,  20.602,  16.092)  ( -9.764,  20.617,  16.101)  ( 0.03,  0.07,  0.06)
163:     angle   (-39.187,   1.263, -25.384)  (-39.183,   1.265, -25.382)  ( 0.01,  0.14,  0.01)
163:     torsion (  0.002,  -0.008,   0.011)  (  0.002,  -0.008,   0.011)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 10.149,  -0.299,   5.522)  ( 10.150,  -0.299,   5.522)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 32       ( -1.413, -33.007,  -7.791)  ( -1.399, -32.990,  -7.786)  ( 0.98,  0.05,  0.06)
163:     bond    (-17.356, -19.718,  -3.615)  (-17.344, -19.703,  -3.614)  ( 0.07,  0.08,  0.01)
163:     angle   ( 25.951, -21.946,  -4.917)  ( 25.953, -21.945,  -4.913)  ( 0.01,  0.01,  0.08)
163:     torsion (  0.013,   0.004,  -0.083)  (  0.013,   0.004,  -0.083)  ( 0.00,  0.00,  0.00)
163:     vdw     (-10.021,   8.654,   0.824)  (-10.021,   8.654,   0.824)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 33       ( 14.342,  25.091,  24.049)  ( 14.347,  25.101,  24.069)  ( 0.04,  0.04,  0.08)
163:     bond    ( -8.159,  14.049,  22.197)  ( -8.157,  14.056,  22.215)  ( 0.03,  0.05,  0.08)
163:     angle   ( 25.372,  11.763,   1.871)  ( 25.375,  11.766,   1.872)  ( 0.01,  0.03,  0.07)
163:     torsion ( -0.032,  -0.072,   0.034)  ( -0.032,  -0.072,   0.034)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.839,  -0.649,  -0.052)  ( -2.839,  -0.649,  -0.052)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 34       ( 14.982,  24.879, -21.566)  ( 14.985,  24.891, -21.547)  ( 0.02,  0.05,  0.09)
163:     bond    ( -1.186,  18.722, -25.133)  ( -1.186,  18.732, -25.115)  ( 0.01,  0.05,  0.07)
163:     angle   ( 16.567,   6.266,   3.891)  ( 16.570,   6.268,   3.893)  ( 0.02,  0.04,  0.04)
163:     torsion (  0.018,   0.066,   0.048)  (  0.018,   0.066,   0.048)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.417,  -0.174,  -0.372)  ( -0.417,  -0.174,  -0.372)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 35       (  4.828,   0.430,   0.212)  (  4.842,   0.451,   0.213)  ( 0.29,  0.89,  0.02)
163:     bond    (  1.611,   2.181,  -0.163)  (  1.621,   2.200,  -0.162)  ( 0.63,  0.86,  0.00)
163:     angle   (  3.124,  -2.253,   0.734)  (  3.127,  -2.251,   0.734)  ( 0.12,  0.08,  0.00)
163:     torsion (  0.021,  -0.030,  -0.197)  (  0.021,  -0.030,  -0.196)  ( 0.00,  0.00,  0.02)
163:     vdw     ( -0.881,   1.566,  -0.324)  ( -0.881,   1.566,  -0.324)  ( 0.00,  0.00,  0.00)
163:     electro (  0.953,  -1.035,   0.162)  (  0.953,  -1.035,   0.162)  ( 0.00,  0.00,  0.00)
163: 36       (-38.521,   8.137,  -5.650)  (-38.493,   8.143,  -5.648)  ( 0.07,  0.08,  0.03)
163:     bond    (-41.790,   5.311,  -5.340)  (-41.762,   5.312,  -5.339)  ( 0.07,  0.01,  0.01)
163:     angle   (  0.354,   2.444,  -0.335)  (  0.354,   2.449,  -0.335)  ( 0.00,  0.22,  0.00)
163:     torsion (  0.022,  -0.032,  -0.207)  (  0.022,  -0.032,  -0.206)  ( 0.00,  0.00,  0.01)
163:     vdw     (  2.141,   0.498,   0.160)  (  2.141,   0.498,   0.160)  ( 0.00,  0.01,  0.00)
163:     electro (  0.751,  -0.084,   0.071)  (  0.751,  -0.084,   0.071)  ( 0.00,  0.00,  0.00)
163: 37       (-21.113,  33.562,  -7.402)  (-21.104,  33.587,  -7.401)  ( 0.05,  0.07,  0.03)
163:     bond    (-17.334,  38.426,  -7.733)  (-17.329,  38.450,  -7.732)  ( 0.03,  0.06,  0.01)
163:     angle   ( -3.889,  -1.784,  -0.159)  ( -3.885,  -1.783,  -0.159)  ( 0.12,  0.05,  0.00)
163:     torsion ( -0.003,   0.004,   0.027)  ( -0.003,   0.004,   0.028)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.176,  -2.175,   0.348)  (  0.176,  -2.175,   0.348)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.062,  -0.910,   0.114)  ( -0.062,  -0.910,   0.114)  ( 0.00,  0.00,  0.00)
163: 38       ( -5.431,  -0.451,   0.024)  ( -5.417,  -0.431,   0.025)  ( 0.26,  0.91,  0.00)
163:     bond    ( -1.879,  -2.467,   0.180)  ( -1.868,  -2.448,   0.180)  ( 0.57,  0.74,  0.00)
163:     angle   ( -0.324,   0.244,   0.014)  ( -0.321,   0.246,   0.014)  ( 0.11,  0.05,  0.00)
163:     torsion ( -0.045,   0.066,   0.437)  ( -0.045,   0.066,   0.437)  ( 0.00,  0.00,  0.03)
163:     vdw     ( -1.909,   0.542,  -0.273)  ( -1.909,   0.542,  -0.273)  ( 0.00,  0.00,  0.00)
163:     electro ( -1.274,   1.163,  -0.334)  ( -1.274,   1.163,  -0.334)  ( 0.00,  0.00,  0.00)
163: 39       (204.595, -232.813,  17.423)  (204.607, -232.783,  17.424)  ( 0.01,  0.01,  0.00)
163:     bond    (-25.243, -90.642,   9.182)  (-25.240, -90.615,   9.182)  ( 0.01,  0.03,  0.01)
163:     angle   ( 46.593, -12.125,   8.430)  ( 46.598, -12.125,   8.430)  ( 0.01,  0.00,  0.00)
163:     torsion (  0.323,  -0.400,  -3.056)  (  0.323,  -0.400,  -3.055)  ( 0.00,  0.00,  0.02)
163:     vdw     (176.635, -118.304,   3.193)  (176.640, -118.302,   3.193)  ( 0.00,  0.00,  0.02)
163:     electro (  6.286, -11.341,  -0.326)  (  6.286, -11.341,  -0.326)  ( 0.00,  0.00,  0.00)
163: ok 2 # gradients 
163: ok 3 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       ( 25.189,  13.959,   7.126)  ( 25.262,  14.010,   7.142)  ( 0.29,  0.36,  0.21)
163:     bond    ( 58.080,   0.609,  15.368)  ( 58.147,   0.652,  15.373)  ( 0.12,  2.59,  0.03)
163:     angle   (-33.014,  13.257,  -8.293)  (-33.009,  13.265,  -8.292)  ( 0.02,  0.06,  0.00)
163:     torsion ( -0.007,  -0.001,   0.014)  ( -0.006,  -0.001,   0.024)  ( 0.00,  0.00,  0.01)
163:     vdw     (  0.130,   0.094,   0.037)  (  0.130,   0.094,   0.037)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       (-135.053, -156.995, -40.782)  (-134.971, -156.926, -40.765)  ( 0.06,  0.04,  0.04)
163:     bond    (-168.640, -135.476, -48.829)  (-168.564, -135.417, -48.824)  ( 0.04,  0.04,  0.01)
163:     angle   ( 33.577, -21.520,   8.093)  ( 33.584, -21.510,   8.096)  ( 0.02,  0.04,  0.04)
163:     torsion (  0.009,   0.001,  -0.046)  (  0.010,   0.001,  -0.037)  ( 0.00,  0.00,  0.04)
163:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       ( -0.629, -24.659,  -0.927)  ( -0.618, -24.639,  -0.924)  ( 0.65,  0.08,  0.29)
163:     bond    (-10.017, -15.265,  -3.131)  (-10.008, -15.245,  -3.131)  ( 0.08,  0.13,  0.02)
163:     angle   ( 13.893,  -9.812,   3.354)  ( 13.895,  -9.811,   3.354)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.007,  -0.001,   0.024)  ( -0.007,  -0.001,   0.027)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -3.372,   0.340,  -0.879)  ( -3.372,   0.340,  -0.879)  ( 0.00,  0.00,  0.00)
163:     electro ( -1.126,   0.078,  -0.295)  ( -1.126,   0.078,  -0.295)  ( 0.00,  0.00,  0.00)
163:  4       ( 10.334,  23.137,   3.434)  ( 10.342,  23.160,   3.437)  ( 0.08,  0.10,  0.08)
163:     bond    ( -6.152,  11.706,  -1.247)  ( -6.146,  11.728,  -1.247)  ( 0.10,  0.19,  0.02)
163:     angle   ( 19.924,  11.039,   5.614)  ( 19.926,  11.039,   5.614)  ( 0.01,  0.01,  0.00)
163:     torsion (  0.009,   0.001,  -0.036)  (  0.009,   0.001,  -0.033)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -2.908,  -0.086,  -0.770)  ( -2.908,  -0.086,  -0.770)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.539,   0.478,  -0.127)  ( -0.539,   0.478,  -0.127)  ( 0.00,  0.00,  0.00)
163:  5       (  2.550, -33.208,  -0.403)  (  2.558, -33.185,  -0.401)  ( 0.31,  0.07,  0.10)
163:     bond    ( 12.210, -24.825,   2.432)  ( 12.215, -24.802,   2.432)  ( 0.05,  0.09,  0.00)
163:     angle   (-14.826,  -7.709,  -4.160)  (-14.824,  -7.709,  -4.159)  ( 0.01,  0.01,  0.00)
163:     torsion (  0.004,   0.000,  -0.017)  (  0.004,   0.000,  -0.015)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p8s_417.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p93_me1.sdf
163:     vdw     (  3.498,  -0.119,   0.920)  (  3.498,  -0.119,   0.920)  ( 0.00,  0.00,  0.00)
163:     electro (  1.664,  -0.556,   0.422)  (  1.664,  -0.556,   0.422)  ( 0.00,  0.00,  0.00)
163:  6       (117.977, 192.469,  37.516)  (118.027, 192.554,  37.534)  ( 0.04,  0.04,  0.05)
163:     bond    (128.247, 182.517,  39.697)  (128.287, 182.596,  39.700)  ( 0.03,  0.04,  0.01)
163:     angle   (-13.318,   9.894,  -3.023)  (-13.308,   9.900,  -3.010)  ( 0.08,  0.06,  0.43)
163:     torsion ( -0.009,  -0.001,   0.033)  ( -0.009,  -0.001,   0.035)  ( 0.00,  0.00,  0.00)
163:     vdw     (  3.057,   0.060,   0.809)  (  3.057,   0.060,   0.809)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  7       (-20.624, -15.019,  -6.028)  (-20.600, -14.975,  -6.022)  ( 0.12,  0.30,  0.10)
163:     bond    (-13.952, -19.555,  -4.305)  (-13.930, -19.511,  -4.303)  ( 0.16,  0.22,  0.05)
163:     angle   ( -6.267,   4.824,  -1.607)  ( -6.264,   4.826,  -1.603)  ( 0.04,  0.03,  0.25)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.406,  -0.289,  -0.116)  ( -0.406,  -0.289,  -0.116)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 4 # gradients 
163: ok 5 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       ( 19.613,  39.037, -65.938)  ( 19.662,  39.085, -65.888)  ( 0.25,  0.12,  0.07)
163:     bond    ( 35.363,   4.708,  -8.226)  ( 35.398,   4.745,  -8.190)  ( 0.10,  0.78,  0.44)
163:     angle   (-11.879,  31.622, -54.395)  (-11.867,  31.633, -54.382)  ( 0.10,  0.04,  0.02)
163:     torsion ( -0.001,   0.614,   0.357)  ( -0.001,   0.615,   0.357)  ( 0.00,  0.03,  0.01)
163:     vdw     ( -3.869,   2.093,  -3.674)  ( -3.868,   2.093,  -3.674)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       (119.205, -77.444, 130.932)  (119.268, -77.418, 130.999)  ( 0.05,  0.03,  0.05)
163:     bond    ( 91.119, -30.475,  52.665)  ( 91.170, -30.454,  52.724)  ( 0.06,  0.07,  0.11)
163:     angle   ( 28.099, -45.486,  79.118)  ( 28.111, -45.483,  79.125)  ( 0.04,  0.01,  0.01)
163:     torsion ( -0.013,  -1.484,  -0.850)  ( -0.013,  -1.481,  -0.849)  ( 0.00,  0.18,  0.08)
163:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       (-73.250, -10.850,  16.560)  (-73.232, -10.836,  16.599)  ( 0.02,  0.13,  0.24)
163:     bond    (-24.487, -24.043,  41.291)  (-24.473, -24.030,  41.330)  ( 0.06,  0.05,  0.09)
163:     angle   (-50.205,  12.814, -22.277)  (-50.201,  12.815, -22.276)  ( 0.01,  0.00,  0.00)
163:     torsion (  0.001,  -0.781,  -0.453)  (  0.001,  -0.780,  -0.453)  ( 0.00,  0.05,  0.01)
163:     vdw     (  0.738,   2.422,  -4.194)  (  0.738,   2.422,  -4.194)  ( 0.01,  0.00,  0.00)
163:     electro (  0.704,  -1.262,   2.192)  (  0.704,  -1.262,   2.192)  ( 0.00,  0.00,  0.00)
163:  4       ( 44.508,  37.050, -48.266)  ( 44.565,  37.070, -48.218)  ( 0.13,  0.05,  0.10)
163:     bond    (-23.001,  31.457, -52.235)  (-22.956,  31.470, -52.196)  ( 0.20,  0.04,  0.07)
163:     angle   ( 65.099,  -0.277,   0.177)  ( 65.110,  -0.275,   0.184)  ( 0.02,  0.07,  0.14)
163:     torsion (  0.043,   6.051,   3.476)  (  0.043,   6.055,   3.477)  ( 0.00,  0.07,  0.04)
163:     vdw     (  2.367,  -0.181,   0.316)  (  2.367,  -0.181,   0.316)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       ( -5.312,  28.754, -58.081)  ( -5.302,  28.761, -58.062)  ( 0.19,  0.03,  0.03)
163:     bond    ( 24.769,  25.591, -45.408)  ( 24.774,  25.597, -45.389)  ( 0.02,  0.02,  0.04)
163:     angle   (-37.301,   8.972, -15.298)  (-37.296,   8.972, -15.297)  ( 0.01,  0.00,  0.00)
163:     torsion ( -0.040,  -3.223,  -1.839)  ( -0.040,  -3.222,  -1.839)  ( 0.00,  0.04,  0.02)
163:     vdw     (  7.168,  -3.099,   5.355)  (  7.168,  -3.099,   5.355)  ( 0.00,  0.00,  0.00)
163:     electro (  0.092,   0.513,  -0.892)  (  0.092,   0.513,  -0.892)  ( 0.00,  0.00,  0.00)
163:  6       (-66.742,  -5.678,   5.781)  (-66.712,  -5.676,   5.785)  ( 0.04,  0.05,  0.08)
163:     bond    (-68.080,  -2.555,   3.484)  (-68.050,  -2.555,   3.485)  ( 0.04,  0.01,  0.01)
163:     angle   (  0.031,  -0.395,   0.321)  (  0.031,  -0.394,   0.324)  ( 0.00,  0.05,  0.12)
163:     torsion (  0.009,  -1.188,  -0.694)  (  0.009,  -1.187,  -0.694)  ( 0.00,  0.08,  0.02)
163:     vdw     (  2.093,  -2.289,   3.970)  (  2.093,  -2.289,   3.971)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.795,   0.749,  -1.300)  ( -0.795,   0.749,  -1.300)  ( 0.00,  0.00,  0.00)
163:  7       (-12.100, -37.172,   8.219)  (-12.095, -37.146,   8.223)  ( 0.04,  0.07,  0.05)
163:     bond    (-10.745, -36.692,   0.762)  (-10.743, -36.666,   0.762)  ( 0.02,  0.07,  0.01)
163:     angle   (  1.275,  -0.185,   9.111)  (  1.278,  -0.185,   9.115)  ( 0.24,  0.00,  0.05)
163:     torsion ( -0.001,   0.000,  -0.007)  ( -0.001,   0.000,  -0.007)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.629,  -0.295,  -1.648)  ( -2.629,  -0.295,  -1.648)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       (-12.272,  11.176,  36.423)  (-12.267,  11.185,  36.444)  ( 0.04,  0.08,  0.06)
163:     bond    (-10.895,  17.429,  32.321)  (-10.893,  17.434,  32.341)  ( 0.02,  0.03,  0.06)
163:     angle   (  1.384,  -7.884,   4.714)  (  1.387,  -7.880,   4.715)  ( 0.22,  0.04,  0.03)
163:     torsion (  0.001,  -0.006,   0.003)  (  0.001,  -0.006,   0.003)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.762,   1.636,  -0.616)  ( -2.762,   1.636,  -0.616)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  9       (-13.893,  14.965, -25.900)  (-13.885,  14.974, -25.882)  ( 0.06,  0.06,  0.07)
163:     bond    (-14.232,  14.453, -24.883)  (-14.227,  14.458, -24.866)  ( 0.04,  0.04,  0.07)
163:     angle   (  3.445,   0.795,  -1.510)  (  3.448,   0.798,  -1.509)  ( 0.08,  0.26,  0.10)
163:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -3.106,  -0.288,   0.489)  ( -3.106,  -0.288,   0.489)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 6 # gradients 
163: ok 7 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (-25.630, -28.431,  14.154)  (-25.582, -28.381,  14.202)  ( 0.19,  0.18,  0.34)
163:     bond    (-19.895,   7.377, -11.925)  (-19.860,   7.414, -11.888)  ( 0.17,  0.50,  0.30)
163:     angle   (-14.896, -48.982,   7.455)  (-14.883, -48.968,   7.466)  ( 0.08,  0.03,  0.15)
163:     torsion ( -5.124,   7.031,  17.238)  ( -5.124,   7.031,  17.239)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 14.285,   6.143,   1.385)  ( 14.285,   6.143,   1.385)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       (-128.910, 113.784, -158.185)  (-128.872, 113.809, -158.176)  ( 0.03,  0.02,  0.01)
163:     bond    (-121.810, -58.450, -11.109)  (-121.773, -58.436, -11.104)  ( 0.03,  0.02,  0.05)
163:     angle   (-22.250, 193.608, -95.414)  (-22.250, 193.620, -95.412)  ( 0.00,  0.01,  0.00)
163:     torsion ( 15.151, -21.375, -51.661)  ( 15.151, -21.375, -51.660)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       ( 25.701, -34.004, -11.496)  ( 25.706, -33.978, -11.492)  ( 0.02,  0.08,  0.04)
163:     bond    ( -1.395, -30.167,  -5.745)  ( -1.395, -30.140,  -5.745)  ( 0.01,  0.09,  0.01)
163:     angle   (-26.840,   0.424,   4.286)  (-26.837,   0.424,   4.289)  ( 0.01,  0.01,  0.09)
163:     torsion (  8.044,   1.903, -11.939)  (  8.044,   1.903, -11.939)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p94_me4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p95_me5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p98_ye7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2p9a_ye6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2paf_npf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pax_4an.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pbw_doq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pd3_tcl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pd4_dcn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pdh_47d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pe0_39z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pe1_517.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pe2_464.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pe5_145.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2per_mnb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pfg_ddd.sdf
164:  1       (  0.188,  -0.341,  -0.447)  (  0.196,  -0.337,  -0.439)  ( 0.15,  0.15,  0.35)
164:     bond    ( 12.215,  -2.444,  -2.026)  ( 12.221,  -2.440,  -2.025)  ( 0.05,  0.20,  0.04)
164:     angle   (  1.031,   1.567,   0.419)  (  1.033,   1.568,   0.419)  ( 0.17,  0.09,  0.01)
164:     strbnd  ( -0.276,   0.595,   0.200)  ( -0.276,   0.595,   0.200)  ( 0.00,  0.01,  0.00)
164:     torsion (  0.026,  -0.060,   0.134)  (  0.026,  -0.060,   0.135)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.003,   0.011,  -0.034)  ( -0.003,   0.009,  -0.028)  ( 0.00,  0.00,  0.02)
164:     vdw     (-13.301,   0.238,   1.219)  (-13.301,   0.238,   1.219)  ( 0.00,  0.00,  0.00)
164:     electro (  0.497,  -0.246,  -0.360)  (  0.497,  -0.246,  -0.360)  ( 0.00,  0.00,  0.00)
164:  2       (  0.154,  -0.533,   0.257)  (  0.159,  -0.515,   0.227)  ( 0.07,  0.95,  0.78)
164:     bond    (  8.668,  -9.202,  -3.657)  (  8.674,  -9.197,  -3.657)  ( 0.06,  0.06,  0.02)
164:     angle   (  1.060,  -2.236,  -0.846)  (  1.061,  -2.234,  -0.846)  ( 0.15,  0.07,  0.02)
164:     strbnd  ( -2.306,  -0.145,   0.209)  ( -2.306,  -0.145,   0.209)  ( 0.01,  0.00,  0.00)
164:     torsion ( -0.009,  -0.028,   0.128)  ( -0.009,  -0.028,   0.129)  ( 0.00,  0.00,  0.02)
164:     oop     (  0.014,  -0.067,   0.198)  (  0.012,  -0.056,   0.166)  ( 0.00,  0.08,  0.65)
164:     vdw     ( -6.352,  11.522,   4.701)  ( -6.352,  11.522,   4.701)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.922,  -0.376,  -0.475)  ( -0.922,  -0.376,  -0.475)  ( 0.00,  0.00,  0.00)
164:  3       ( -0.038,  -0.435,   0.232)  ( -0.028,  -0.444,   0.280)  ( 0.04,  0.40,  1.12)
164:     bond    ( -6.462, -14.039,  -4.598)  ( -6.457, -14.034,  -4.597)  ( 0.08,  0.04,  0.02)
164:     angle   (  4.729,   7.796,   2.474)  (  4.731,   7.798,   2.474)  ( 0.04,  0.02,  0.01)
164:     strbnd  (  3.737,  -3.706,  -1.522)  (  3.737,  -3.707,  -1.522)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.300,  -2.114,   5.663)  (  0.300,  -2.114,   5.664)  ( 0.00,  0.01,  0.02)
164:     oop     ( -0.022,   0.095,  -0.277)  ( -0.019,   0.079,  -0.231)  ( 0.01,  0.15,  1.28)
164:     vdw     ( -2.173,  13.069,   0.311)  ( -2.172,  13.069,   0.311)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.148,  -1.535,  -1.819)  ( -0.148,  -1.535,  -1.819)  ( 0.00,  0.00,  0.00)
164:  4       (  0.395,   0.197,   0.303)  (  0.400,   0.409,   0.172)  ( 0.21,  4.17,  3.96)
164:     bond    ( -4.734,   2.347,   1.095)  ( -4.729,   2.352,   1.096)  ( 0.11,  0.20,  0.07)
164:     angle   (-10.062,  -2.611,   4.140)  (-10.060,  -2.609,   4.140)  ( 0.02,  0.07,  0.01)
164:     strbnd  (  3.811,   0.602,   0.274)  (  3.811,   0.601,   0.274)  ( 0.00,  0.01,  0.00)
164:     torsion ( -0.109,   2.386,  -1.969)  ( -0.109,   2.387,  -1.968)  ( 0.00,  0.01,  0.06)
164:     oop     (  0.013,  -1.116,   0.755)  (  0.011,  -0.910,   0.622)  ( 0.00, 18.44, 10.07)
164:     vdw     (  9.138,  -2.304,  -5.262)  (  9.139,  -2.304,  -5.262)  ( 0.00,  0.00,  0.00)
164:     electro (  2.337,   0.892,   1.269)  (  2.337,   0.892,   1.269)  ( 0.00,  0.00,  0.00)
164:  5       (  0.329,  -0.092,  -0.786)  (  0.325,  -0.035,  -0.926)  ( 0.14,  0.53, 10.94)
164:     bond    ( -9.877,  12.321,   6.024)  ( -9.872,  12.326,   6.025)  ( 0.05,  0.04,  0.01)
164:     angle   (  0.777,  -3.545,  -1.191)  (  0.779,  -3.544,  -1.191)  ( 0.13,  0.04,  0.02)
164:     strbnd  (  3.218,   2.140,   0.609)  (  3.218,   2.140,   0.609)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.010,   0.739,  -2.169)  (  0.010,   0.739,  -2.168)  ( 0.00,  0.01,  0.06)
164:     oop     (  0.069,  -0.304,   0.854)  (  0.058,  -0.253,   0.713)  ( 0.08,  1.53, 12.07)
164:     vdw     (  4.433, -11.904,  -4.594)  (  4.433, -11.904,  -4.594)  ( 0.00,  0.00,  0.00)
164:     electro (  1.700,   0.460,  -0.319)  (  1.700,   0.460,  -0.319)  ( 0.00,  0.00,  0.00)
164:  6       (  0.290,   0.013,  -0.920)  (  0.298,   0.013,  -0.902)  ( 0.24,  0.00,  1.63)
164:     bond    ( 10.935,  11.123,   2.675)  ( 10.940,  11.128,   2.676)  ( 0.05,  0.04,  0.03)
164:     angle   ( -1.841,   0.246,   0.285)  ( -1.839,   0.247,   0.285)  ( 0.09,  0.04,  0.01)
164:     strbnd  ( -0.658,   0.437,   0.063)  ( -0.658,   0.437,   0.063)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.004,   0.151,  -0.129)  ( -0.004,   0.151,  -0.128)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.010,   0.040,  -0.102)  ( -0.008,   0.034,  -0.087)  ( 0.00,  0.03,  0.16)
164:     vdw     ( -7.809, -11.860,  -3.494)  ( -7.809, -11.860,  -3.494)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.323,  -0.125,  -0.217)  ( -0.323,  -0.125,  -0.217)  ( 0.00,  0.00,  0.00)
164:  7       ( -0.284,  -0.843,  -2.698)  ( -0.304,  -1.685,  -2.039)  ( 0.58, 70.96, 24.42)
164:     bond    ( -8.014,   7.203,  10.301)  ( -8.008,   7.206,  10.304)  ( 0.07,  0.04,  0.04)
164:     angle   ( 23.571,  -6.002, -12.520)  ( 23.573,  -6.000, -12.519)  ( 0.01,  0.02,  0.01)
164:     strbnd  ( -5.963,   1.001,   0.741)  ( -5.964,   1.001,   0.741)  ( 0.01,  0.02,  0.02)
164:     torsion ( -2.504, -12.743,   5.344)  ( -2.504, -12.742,   5.344)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.288,   5.178,  -4.155)  (  0.261,   4.331,  -3.501)  ( 0.80, 16.35, 15.74)
164:     vdw     ( -1.708,   5.497,  -2.750)  ( -1.708,   5.497,  -2.750)  ( 0.01,  0.00,  0.00)
164:     electro ( -5.954,  -0.978,   0.342)  ( -5.954,  -0.978,   0.342)  ( 0.00,  0.00,  0.00)
164:  8       ( -2.332,   4.648,   9.846)  ( -2.311,   5.541,   9.465)  ( 0.92, 19.20,  3.87)
164:     bond    (  7.906,   3.155,   6.283)  (  7.911,   3.158,   6.291)  ( 0.07,  0.08,  0.13)
164:     angle   (-11.927,  11.968,  23.696)  (-11.925,  11.969,  23.697)  ( 0.02,  0.01,  0.01)
164:     strbnd  ( -0.172,  -3.227,  -7.634)  ( -0.173,  -3.227,  -7.635)  ( 0.02,  0.01,  0.01)
164:     torsion ( -1.724,   6.797, -17.832)  ( -1.724,   6.797, -17.832)  ( 0.00,  0.01,  0.00)
164:     oop     ( -0.107,  -5.155,   2.589)  ( -0.093,  -4.267,   2.199)  ( 0.16, 17.23, 15.06)
164:     vdw     (  4.239,  -5.387,   2.000)  (  4.239,  -5.387,   2.000)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.546,  -3.502,   0.745)  ( -0.546,  -3.502,   0.745)  ( 0.00,  0.00,  0.00)
164:  9       (  2.586,  -3.839,  -7.626)  (  2.603,  -4.121,  -7.463)  ( 0.65,  7.34,  2.13)
164:     bond    (  6.677,  -9.432, -17.814)  (  6.678,  -9.430, -17.808)  ( 0.01,  0.02,  0.03)
164:     angle   ( -3.223,  -0.345,  -1.026)  ( -3.222,  -0.345,  -1.026)  ( 0.03,  0.00,  0.01)
164:     strbnd  ( -3.032,   4.056,   7.810)  ( -3.032,   4.056,   7.810)  ( 0.01,  0.00,  0.00)
164:     torsion ( -0.306,   6.009,  -3.297)  ( -0.306,   6.009,  -3.297)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.071,   1.455,  -0.797)  ( -0.056,   1.171,  -0.641)  ( 0.11, 19.52, 12.44)
164:     vdw     (  7.280,  -5.048,  11.866)  (  7.280,  -5.048,  11.866)  ( 0.00,  0.00,  0.00)
164:     electro ( -4.739,  -0.534,  -4.368)  ( -4.739,  -0.534,  -4.368)  ( 0.00,  0.00,  0.00)
164: 10       (  1.000,  -0.547,  -0.386)  (  0.966,  -0.774,  -0.726)  ( 3.43, 12.41, 13.13)
164:     bond    (  9.695,  23.920,  -3.884)  (  9.701,  23.924,  -3.884)  ( 0.06,  0.02,  0.01)
164:     angle   (-15.143, -13.685, -10.389)  (-15.141, -13.683, -10.388)  ( 0.01,  0.01,  0.01)
164:     strbnd  (  1.542, -11.914,   0.169)  (  1.542, -11.915,   0.169)  ( 0.03,  0.01,  0.00)
164:     torsion (  1.960,  -0.605,  10.880)  (  1.960,  -0.605,  10.881)  ( 0.00,  0.01,  0.01)
164:     oop     (  0.202,   1.528,   1.715)  (  0.161,   1.295,   1.373)  ( 0.83, 15.24, 19.96)
164:     vdw     (  3.415,   0.682,   1.760)  (  3.415,   0.682,   1.760)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.671,  -0.472,  -0.637)  ( -0.671,  -0.472,  -0.637)  ( 0.00,  0.00,  0.00)
164: 11       ( -0.171,  -0.241,  -0.542)  ( -0.163,  -0.080,   0.005)  ( 0.12,  3.88, 29.65)
164:     bond    (-13.094,  -5.115,  -0.788)  (-13.089,  -5.111,  -0.787)  ( 0.04,  0.09,  0.05)
164:     angle   ( -2.503,   4.242,  11.159)  ( -2.501,   4.244,  11.160)  ( 0.09,  0.05,  0.00)
164:     strbnd  ( 10.155,   7.918,  -0.812)  ( 10.154,   7.917,  -0.812)  ( 0.01,  0.01,  0.01)
164:     torsion (  1.046,  -1.903,  -2.449)  (  1.046,  -1.903,  -2.448)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.039,  -0.779,  -2.945)  ( -0.038,  -0.624,  -2.400)  ( 0.00, 12.08, 18.52)
164:     vdw     ( -0.018,  -4.278,  -1.767)  ( -0.018,  -4.278,  -1.767)  ( 0.00,  0.00,  0.00)
164:     electro (  4.282,  -0.325,  -2.941)  (  4.282,  -0.325,  -2.941)  ( 0.00,  0.00,  0.00)
164: 12       (  0.049,  -0.113,  -0.121)  (  0.055,  -0.145,  -0.246)  ( 0.03,  0.36,  1.51)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pfh_ldt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pg2_k01.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pga_anu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pgl_n1c.sdf
163:     vdw     ( 45.892,  -6.165,   1.903)  ( 45.893,  -6.165,   1.903)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       ( 29.422,  24.486,   0.356)  ( 29.443,  24.493,   0.363)  ( 0.07,  0.03,  0.25)
163:     bond    ( 29.102,  11.932, -12.746)  ( 29.123,  11.935, -12.742)  ( 0.07,  0.03,  0.03)
163:     angle   (  0.008,   2.865,   2.705)  (  0.009,   2.868,   2.708)  ( 0.00,  0.12,  0.12)
163:     torsion (  0.559,   9.747,  10.407)  (  0.559,   9.747,  10.407)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.248,  -0.058,  -0.010)  ( -0.248,  -0.058,  -0.010)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (-14.201, -18.014,  39.388)  (-14.197, -18.010,  39.416)  ( 0.02,  0.02,  0.07)
163:     bond    ( -0.398,   5.832,  34.590)  ( -0.398,   5.833,  34.617)  ( 0.01,  0.01,  0.08)
163:     angle   ( -6.363, -12.617,   2.052)  ( -6.359, -12.613,   2.052)  ( 0.05,  0.03,  0.01)
163:     torsion ( -8.696, -11.525,   1.842)  ( -8.696, -11.525,   1.842)  ( 0.00,  0.00,  0.00)
163:     vdw     (  1.256,   0.295,   0.904)  (  1.256,   0.295,   0.904)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       (189.902, -122.303, 155.949)  (189.974, -122.252, 155.970)  ( 0.04,  0.04,  0.01)
163:     bond    (103.167,  13.570,  25.866)  (103.234,  13.611,  25.884)  ( 0.06,  0.30,  0.07)
163:     angle   (105.259, -154.157,  97.805)  (105.264, -154.146,  97.807)  ( 0.00,  0.01,  0.00)
163:     torsion (-10.098,  14.460,  34.616)  (-10.098,  14.460,  34.618)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -8.426,   3.824,  -2.338)  ( -8.426,   3.824,  -2.338)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  7       ( 28.297,  20.835,   1.996)  ( 28.342,  20.848,   2.008)  ( 0.16,  0.06,  0.60)
163:     bond    ( 12.873,  -5.976,   6.570)  ( 12.917,  -5.967,   6.582)  ( 0.34,  0.16,  0.18)
163:     angle   ( 15.468,  26.087,  -6.706)  ( 15.469,  26.090,  -6.706)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.587,   0.850,   1.922)  ( -0.587,   0.850,   1.922)  ( 0.00,  0.01,  0.02)
163:     vdw     (  0.543,  -0.126,   0.210)  (  0.543,  -0.126,   0.210)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       (-104.818,  43.447, -42.297)  (-104.813,  43.471, -42.291)  ( 0.00,  0.06,  0.01)
163:     bond    ( -1.848,  55.726, -25.609)  ( -1.848,  55.750, -25.603)  ( 0.02,  0.04,  0.02)
163:     angle   (-50.415,  -7.276, -12.204)  (-50.413,  -7.275, -12.204)  ( 0.00,  0.00,  0.00)
163:     torsion (  0.751,  -1.091,  -2.429)  (  0.751,  -1.091,  -2.429)  ( 0.00,  0.01,  0.01)
163:     vdw     (-53.305,  -3.913,  -2.055)  (-53.304,  -3.913,  -2.055)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 8 # gradients 
163: ok 9 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (105.440, -149.985, 260.331)  (105.486, -149.942, 260.360)  ( 0.04,  0.03,  0.01)
163:     bond    (105.838, -149.765, 260.004)  (105.879, -149.728, 260.027)  ( 0.04,  0.02,  0.01)
163:     angle   ( -0.389,  -0.217,   0.334)  ( -0.384,  -0.211,   0.340)  ( 0.21,  0.12,  0.21)
163:     torsion ( -0.009,  -0.003,  -0.007)  ( -0.009,  -0.003,  -0.007)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       (-90.439,   1.612,  -3.158)  (-90.384,   1.663,  -3.108)  ( 0.06,  3.15,  1.59)
163:     bond    (-96.521,  -0.000,   0.010)  (-96.477,   0.040,   0.049)  ( 0.05,  0.00,  0.04)
163:     angle   (  0.198,  -0.177,  -0.044)  (  0.210,  -0.166,  -0.033)  ( 0.22,  0.20,  0.05)
163:     torsion ( -0.000,   0.004,  -0.001)  (  0.000,   0.004,  -0.002)  ( 0.00,  0.00,  0.00)
163:     vdw     (  5.883,   1.786,  -3.123)  (  5.883,   1.786,  -3.122)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       ( 17.766,  85.074,  -3.307)  ( 17.818,  85.129,  -3.256)  ( 0.29,  0.06,  1.52)
163:     bond    ( 31.918,  90.924,  -0.196)  ( 31.958,  90.967,  -0.157)  ( 0.13,  0.05,  0.78)
163:     angle   ( -0.248,  -0.340,  -0.003)  ( -0.237,  -0.328,   0.008)  ( 0.28,  0.38,  0.00)
163:     torsion (  0.004,  -0.001,   0.009)  (  0.004,  -0.001,   0.009)  ( 0.00,  0.00,  0.00)
163:     vdw     (-13.908,  -5.509,  -3.117)  (-13.907,  -5.509,  -3.117)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       ( 17.700, -39.682, -75.828)  ( 17.751, -39.631, -75.775)  ( 0.29,  0.13,  0.07)
163:     bond    ( 32.121, -45.510, -79.026)  ( 32.161, -45.470, -78.984)  ( 0.12,  0.09,  0.05)
163:     angle   ( -0.358,   0.352,  -0.032)  ( -0.347,   0.363,  -0.021)  ( 0.40,  0.38,  0.03)
163:     torsion ( -0.001,   0.004,  -0.002)  ( -0.001,   0.004,  -0.002)  ( 0.00,  0.00,  0.00)
163:     vdw     (-14.062,   5.472,   3.232)  (-14.062,   5.473,   3.232)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (-44.578, 218.066,   0.111)  (-44.571, 218.092,   0.116)  ( 0.02,  0.01,  0.05)
163:     bond    (-74.014, 208.993,  -0.001)  (-74.010, 209.018,   0.000)  ( 0.01,  0.01,  0.00)
163:     angle   ( -0.340,  -0.120,  -0.061)  ( -0.338,  -0.120,  -0.057)  ( 0.09,  0.00,  0.02)
163:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 29.776,   9.193,   0.174)  ( 29.777,   9.193,   0.174)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       (-74.306, -104.570, 181.478)  (-74.299, -104.561, 181.498)  ( 0.01,  0.01,  0.01)
163:     bond    (-73.876, -104.552, 181.024)  (-73.872, -104.545, 181.043)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.043,   0.173,   0.119)  (  0.046,   0.176,   0.120)  ( 0.01,  0.05,  0.01)
163:     torsion ( -0.000,   0.002,   0.001)  (  0.000,   0.002,   0.001)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.473,  -0.193,   0.334)  ( -0.473,  -0.193,   0.334)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  7       (-43.647, -109.104, -189.246)  (-43.639, -109.094, -189.226)  ( 0.02,  0.01,  0.01)
163:     bond    (-73.841, -104.519, -181.111)  (-73.837, -104.512, -181.092)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.080,   0.216,  -0.161)  (  0.083,   0.219,  -0.160)  ( 0.02,  0.06,  0.02)
163:     torsion ( -0.000,  -0.003,   0.002)  (  0.000,  -0.003,   0.002)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 30.115,  -4.798,  -7.975)  ( 30.116,  -4.798,  -7.975)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       (221.220,  -6.123,  -3.930)  (221.248,  -6.119,  -3.925)  ( 0.01,  0.07,  0.12)
163:     bond    (221.839,  -0.001,  -0.001)  (221.867,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
163:     angle   ( -0.000,   0.445,  -0.090)  (  0.000,   0.448,  -0.086)  ( 0.00,  0.13,  0.03)
163:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.619,  -6.567,  -3.838)  ( -0.619,  -6.567,  -3.838)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  9       (-82.802,  99.667, 177.060)  (-82.795,  99.677, 177.080)  ( 0.01,  0.01,  0.01)
163:     bond    (-73.876, 104.538, 181.024)  (-73.872, 104.545, 181.043)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.231,  -0.092,   0.146)  (  0.235,  -0.090,   0.148)  ( 0.07,  0.02,  0.02)
163:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -9.158,  -4.779,  -4.111)  ( -9.158,  -4.778,  -4.111)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ph8_35a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2phb_230.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pid_ysa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pin_leg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pio_2mi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pit_4hy.sdf
163: 10       (-82.262,  92.018, -179.835)  (-82.254,  92.027, -179.815)  ( 0.01,  0.01,  0.01)
163:     bond    (-73.757, 104.367, -180.905)  (-73.753, 104.374, -180.886)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.291,  -0.136,  -0.198)  (  0.295,  -0.133,  -0.197)  ( 0.09,  0.03,  0.02)
163:     torsion (  0.003,  -0.001,  -0.002)  (  0.003,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -8.798, -12.213,   1.270)  ( -8.798, -12.212,   1.270)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       (221.224,   6.299,   3.345)  (221.252,   6.304,   3.350)  ( 0.01,  0.08,  0.13)
163:     bond    (221.840,  -0.059,  -0.118)  (221.868,  -0.058,  -0.117)  ( 0.01,  0.01,  0.01)
163:     angle   ( -0.000,  -0.255,  -0.307)  ( -0.000,  -0.251,  -0.304)  ( 0.00,  0.09,  0.10)
163:     torsion ( -0.000,   0.003,  -0.002)  ( -0.000,   0.003,  -0.002)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.616,   6.610,   3.772)  ( -0.616,   6.610,   3.772)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (-82.670, 109.687, -169.760)  (-82.663, 109.697, -169.740)  ( 0.01,  0.01,  0.01)
163:     bond    (-73.962, 104.530, -181.062)  (-73.958, 104.537, -181.043)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.196,   0.175,   0.020)  (  0.200,   0.178,   0.021)  ( 0.06,  0.05,  0.00)
163:     torsion ( -0.004,  -0.003,   0.000)  ( -0.004,  -0.002,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -8.901,   4.984,  11.282)  ( -8.901,   4.984,  11.282)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 13       (-82.957, -203.268,   2.436)  (-82.949, -203.243,   2.441)  ( 0.01,  0.01,  0.17)
163:     bond    (-73.956, -209.192,   0.116)  (-73.952, -209.167,   0.117)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.236,  -0.085,   0.219)  (  0.240,  -0.085,   0.222)  ( 0.08,  0.00,  0.07)
163:     torsion (  0.006,  -0.002,   0.004)  (  0.006,  -0.002,   0.004)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -9.243,   6.011,   2.098)  ( -9.243,   6.012,   2.098)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 10 # gradients 
163: ok 11 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (-352.758, 498.355, -863.403)  (-352.737, 498.374, -863.393)  ( 0.01,  0.00,  0.00)
163:     bond    (-352.351, 498.577, -863.775)  (-352.336, 498.590, -863.772)  ( 0.00,  0.00,  0.00)
163:     angle   ( -0.390,  -0.216,   0.386)  ( -0.384,  -0.210,   0.392)  ( 0.22,  0.13,  0.25)
163:     torsion ( -0.018,  -0.006,  -0.014)  ( -0.017,  -0.006,  -0.013)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       (1285.827,   1.609,  -3.175)  (1285.867,   1.655,  -3.129)  ( 0.00,  2.87,  1.44)
163:     bond    (1279.745,   0.004,   0.014)  (1279.774,   0.040,   0.049)  ( 0.00,  0.02,  0.05)
163:     angle   (  0.198,  -0.189,  -0.064)  (  0.210,  -0.178,  -0.053)  ( 0.22,  0.21,  0.07)
163:     torsion ( -0.000,   0.008,  -0.003)  (  0.000,   0.008,  -0.003)  ( 0.00,  0.00,  0.00)
163:     vdw     (  5.883,   1.786,  -3.123)  (  5.883,   1.786,  -3.122)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       (-441.622, -1212.197,  -3.313)  (-441.575, -1212.156,  -3.266)  ( 0.01,  0.00,  1.39)
163:     bond    (-427.484, -1206.342,  -0.192)  (-427.450, -1206.312,  -0.157)  ( 0.01,  0.00,  0.67)
163:     angle   ( -0.237,  -0.343,  -0.023)  ( -0.226,  -0.332,  -0.012)  ( 0.27,  0.39,  0.02)
163:     torsion (  0.008,  -0.003,   0.019)  (  0.008,  -0.003,   0.019)  ( 0.00,  0.00,  0.00)
163:     vdw     (-13.908,  -5.509,  -3.117)  (-13.907,  -5.509,  -3.117)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       (-440.935, 609.305, 1047.967)  (-440.889, 609.350, 1048.009)  ( 0.01,  0.01,  0.00)
163:     bond    (-426.503, 603.459, 1044.784)  (-426.468, 603.492, 1044.815)  ( 0.01,  0.01,  0.00)
163:     angle   ( -0.369,   0.367,  -0.045)  ( -0.358,   0.378,  -0.034)  ( 0.42,  0.40,  0.05)
163:     torsion ( -0.002,   0.007,  -0.005)  ( -0.001,   0.007,  -0.005)  ( 0.00,  0.00,  0.00)
163:     vdw     (-14.062,   5.472,   3.232)  (-14.062,   5.473,   3.232)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (-44.578, 218.066,   0.111)  (-44.571, 218.092,   0.115)  ( 0.02,  0.01,  0.05)
163:     bond    (-74.014, 208.993,  -0.001)  (-74.010, 209.018,   0.000)  ( 0.01,  0.01,  0.00)
163:     angle   ( -0.340,  -0.120,  -0.061)  ( -0.338,  -0.120,  -0.057)  ( 0.09,  0.00,  0.02)
163:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 29.776,   9.193,   0.174)  ( 29.777,   9.193,   0.174)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       (-74.306, -104.569, 181.479)  (-74.299, -104.559, 181.499)  ( 0.01,  0.01,  0.01)
163:     bond    (-73.876, -104.552, 181.024)  (-73.872, -104.545, 181.043)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.043,   0.173,   0.119)  (  0.046,   0.176,   0.120)  ( 0.01,  0.05,  0.01)
163:     torsion ( -0.000,   0.003,   0.002)  (  0.000,   0.003,   0.002)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.473,  -0.193,   0.334)  ( -0.473,  -0.193,   0.334)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  7       (-43.647, -109.106, -189.244)  (-43.639, -109.096, -189.224)  ( 0.02,  0.01,  0.01)
163:     bond    (-73.841, -104.519, -181.111)  (-73.837, -104.512, -181.092)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.080,   0.216,  -0.161)  (  0.083,   0.219,  -0.160)  ( 0.02,  0.06,  0.02)
163:     torsion ( -0.000,  -0.005,   0.003)  (  0.000,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 30.115,  -4.798,  -7.975)  ( 30.116,  -4.798,  -7.975)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       (221.220,  -6.123,  -3.930)  (221.248,  -6.119,  -3.925)  ( 0.01,  0.07,  0.13)
163:     bond    (221.839,  -0.001,  -0.001)  (221.867,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
163:     angle   ( -0.000,   0.445,  -0.090)  (  0.000,   0.448,  -0.086)  ( 0.00,  0.13,  0.03)
163:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.619,  -6.567,  -3.838)  ( -0.619,  -6.567,  -3.838)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  9       (-82.802,  99.667, 177.060)  (-82.795,  99.677, 177.080)  ( 0.01,  0.01,  0.01)
163:     bond    (-73.876, 104.538, 181.024)  (-73.872, 104.545, 181.043)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.231,  -0.092,   0.146)  (  0.235,  -0.090,   0.148)  ( 0.07,  0.02,  0.02)
163:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -9.158,  -4.779,  -4.111)  ( -9.158,  -4.778,  -4.111)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 10       (-82.259,  92.017, -179.837)  (-82.251,  92.026, -179.817)  ( 0.01,  0.01,  0.01)
163:     bond    (-73.757, 104.367, -180.905)  (-73.753, 104.374, -180.886)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.291,  -0.136,  -0.198)  (  0.295,  -0.133,  -0.197)  ( 0.09,  0.03,  0.02)
163:     torsion (  0.006,  -0.002,  -0.003)  (  0.006,  -0.002,  -0.003)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -8.798, -12.213,   1.270)  ( -8.798, -12.212,   1.270)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       (221.224,   6.302,   3.343)  (221.252,   6.307,   3.348)  ( 0.01,  0.08,  0.13)
163:     bond    (221.840,  -0.059,  -0.118)  (221.868,  -0.058,  -0.117)  ( 0.01,  0.01,  0.01)
163:     angle   ( -0.000,  -0.255,  -0.307)  ( -0.000,  -0.251,  -0.304)  ( 0.00,  0.09,  0.10)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2piy_528.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2piz_606.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pj0_922.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pj1_578.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pj2_864.sdf
164:     bond    ( -6.964,  10.847,  -2.041)  ( -6.957,  10.853,  -2.041)  ( 0.09,  0.05,  0.02)
164:     angle   (  3.466, -18.735,   1.444)  (  3.468, -18.732,   1.444)  ( 0.06,  0.01,  0.03)
164:     strbnd  (  5.241,  10.045,  -1.635)  (  5.240,  10.043,  -1.635)  ( 0.02,  0.01,  0.00)
164:     torsion ( -0.277,  -0.199,   0.243)  ( -0.277,  -0.199,   0.244)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.002,   0.243,   0.879)  ( -0.003,   0.205,   0.753)  ( 0.00,  0.94, 11.08)
164:     vdw     ( -1.680,  -2.461,   0.754)  ( -1.680,  -2.461,   0.754)  ( 0.00,  0.00,  0.00)
164:     electro (  0.266,   0.147,   0.236)  (  0.266,   0.147,   0.236)  ( 0.00,  0.00,  0.00)
164: 13       ( -1.916,   4.711,  -0.986)  ( -1.911,   4.727,  -0.929)  ( 0.21,  0.35,  5.65)
164:     bond    ( -0.615,   7.046,  -1.142)  ( -0.607,   7.052,  -1.141)  ( 0.46,  0.08,  0.02)
164:     angle   (  9.671,  -9.830,   1.897)  (  9.673,  -9.828,   1.897)  ( 0.02,  0.02,  0.00)
164:     strbnd  (  1.450,  -2.787,   0.428)  (  1.450,  -2.788,   0.428)  ( 0.05,  0.05,  0.00)
164:     torsion ( -0.027,   0.521,  -1.869)  ( -0.027,   0.521,  -1.868)  ( 0.00,  0.00,  0.05)
164:     oop     (  0.024,  -0.050,  -0.214)  (  0.019,  -0.041,  -0.158)  ( 0.01,  0.05,  1.20)
164:     vdw     (-11.109,   9.890,   1.556)  (-11.109,   9.890,   1.556)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.309,  -0.078,  -1.642)  ( -1.309,  -0.078,  -1.642)  ( 0.00,  0.00,  0.00)
164: 14       (  6.713,  -5.411,   0.328)  (  6.722,  -5.394,   0.357)  ( 0.13,  0.31,  0.96)
164:     bond    (-12.462, -21.961,   0.624)  (-12.457, -21.955,   0.624)  ( 0.04,  0.02,  0.01)
164:     angle   ( 21.478,  16.756,  -1.059)  ( 21.481,  16.758,  -1.059)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -5.263,  -1.582,  -0.270)  ( -5.263,  -1.582,  -0.270)  ( 0.01,  0.03,  0.00)
164:     torsion ( -0.035,  -0.626,   1.222)  ( -0.035,  -0.626,   1.223)  ( 0.00,  0.00,  0.11)
164:     oop     (  0.004,  -0.049,  -0.081)  (  0.005,  -0.039,  -0.053)  ( 0.00,  0.05,  0.23)
164:     vdw     (  2.604,   2.443,   0.387)  (  2.604,   2.443,   0.387)  ( 0.00,  0.00,  0.00)
164:     electro (  0.386,  -0.392,  -0.495)  (  0.386,  -0.392,  -0.495)  ( 0.00,  0.00,  0.00)
164: 15       ( -5.129,   0.613,  -0.625)  ( -5.079,   0.616,  -0.328)  ( 0.97,  0.16, 18.57)
164:     bond    ( 11.061,   5.919,  -3.067)  ( 11.066,   5.923,  -3.067)  ( 0.04,  0.08,  0.01)
164:     angle   (-12.299, -15.141,  -0.481)  (-12.297, -15.140,  -0.481)  ( 0.02,  0.01,  0.00)
164:     strbnd  ( -3.290,   0.620,   0.718)  ( -3.290,   0.620,   0.718)  ( 0.00,  0.01,  0.00)
164:     torsion ( -0.712,  -0.073,   3.004)  ( -0.712,  -0.073,   3.005)  ( 0.00,  0.00,  0.05)
164:     oop     ( -0.261,   0.034,  -1.913)  ( -0.218,   0.030,  -1.617)  ( 1.11,  0.01, 15.44)
164:     vdw     (  0.370,   9.262,   0.830)  (  0.370,   9.262,   0.830)  ( 0.00,  0.00,  0.00)
164:     electro (  0.002,  -0.007,   0.283)  (  0.002,  -0.007,   0.283)  ( 0.00,  0.00,  0.00)
164: 16       ( -0.296,   0.185,   0.933)  ( -0.303,   0.195,   0.800)  ( 0.21,  0.19, 12.45)
164:     bond    ( 14.452, -16.403,  -3.890)  ( 14.458, -16.398,  -3.890)  ( 0.04,  0.03,  0.01)
164:     angle   (-10.953,   5.321,   1.176)  (-10.951,   5.322,   1.176)  ( 0.02,  0.03,  0.00)
164:     strbnd  (  6.693,   8.480,  -0.639)  (  6.693,   8.479,  -0.639)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.233,  -0.130,   1.677)  (  0.233,  -0.130,   1.679)  ( 0.00,  0.00,  0.08)
164:     oop     (  0.089,  -0.027,   0.816)  (  0.074,  -0.024,   0.681)  ( 0.13,  0.01, 11.01)
164:     vdw     (-10.495,   2.954,   2.887)  (-10.495,   2.954,   2.887)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.314,  -0.010,  -1.094)  ( -0.314,  -0.010,  -1.094)  ( 0.00,  0.00,  0.00)
164: 17       ( -0.587,   0.280,   1.052)  ( -0.579,   0.286,   1.057)  ( 0.46,  0.17,  0.47)
164:     bond    ( 11.943,  13.623,   0.244)  ( 11.949,  13.628,   0.244)  ( 0.05,  0.04,  0.01)
164:     angle   (  1.276,  -3.469,  -0.726)  (  1.277,  -3.467,  -0.726)  ( 0.13,  0.05,  0.00)
164:     strbnd  (  0.726,  -3.329,  -0.300)  (  0.726,  -3.330,  -0.300)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.227,  -0.156,   1.421)  (  0.227,  -0.156,   1.422)  ( 0.00,  0.00,  0.09)
164:     oop     ( -0.004,   0.002,  -0.021)  ( -0.003,   0.002,  -0.018)  ( 0.00,  0.00,  0.01)
164:     vdw     (-14.498,  -6.002,   0.935)  (-14.498,  -6.002,   0.935)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.257,  -0.389,  -0.500)  ( -0.257,  -0.389,  -0.500)  ( 0.00,  0.00,  0.00)
164: 18       ( -0.846,  -0.010,   0.550)  ( -0.842,   0.000,   0.524)  ( 0.36,  0.01,  1.42)
164:     bond    ( -3.720,  10.016,   1.464)  ( -3.714,  10.021,   1.464)  ( 0.15,  0.06,  0.01)
164:     angle   (  3.372,   1.996,  -0.096)  (  3.374,   1.998,  -0.096)  ( 0.05,  0.09,  0.00)
164:     strbnd  (  1.201,  -0.848,  -0.145)  (  1.201,  -0.848,  -0.145)  ( 0.02,  0.01,  0.00)
164:     torsion (  0.005,  -0.001,   0.213)  (  0.005,  -0.001,   0.214)  ( 0.00,  0.00,  0.03)
164:     oop     (  0.015,  -0.016,   0.164)  (  0.013,  -0.013,   0.137)  ( 0.00,  0.00,  0.45)
164:     vdw     ( -1.486, -11.784,  -0.891)  ( -1.486, -11.784,  -0.891)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.234,   0.627,  -0.159)  ( -0.234,   0.627,  -0.159)  ( 0.00,  0.00,  0.00)
164: 19       ( -0.802,  -0.231,  -0.241)  ( -0.792,  -0.227,  -0.209)  ( 0.79,  0.10,  0.77)
164:     bond    ( -3.439,  12.608,   1.190)  ( -3.434,  12.614,   1.190)  ( 0.17,  0.04,  0.02)
164:     angle   ( -7.033,   2.531,   1.010)  ( -7.031,   2.533,   1.010)  ( 0.02,  0.06,  0.01)
164:     strbnd  ( -0.939,  -6.205,  -0.494)  ( -0.939,  -6.206,  -0.494)  ( 0.02,  0.00,  0.00)
164:     torsion (  0.083,  -0.036,   0.405)  (  0.083,  -0.036,   0.406)  ( 0.00,  0.00,  0.05)
164:     oop     ( -0.015,   0.016,  -0.180)  ( -0.012,   0.013,  -0.149)  ( 0.00,  0.00,  0.55)
164:     vdw     ( 11.128,  -8.501,  -1.965)  ( 11.128,  -8.501,  -1.965)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.587,  -0.644,  -0.207)  ( -0.587,  -0.644,  -0.207)  ( 0.00,  0.00,  0.00)
164: 20       ( -0.443,  -0.226,  -0.393)  ( -0.448,  -0.219,  -0.464)  ( 0.20,  0.16,  2.79)
164:     bond    (-23.028,   1.536,   2.475)  (-23.023,   1.541,   2.475)  ( 0.02,  0.33,  0.01)
164:     angle   ( 15.846,  -1.882,  -2.254)  ( 15.848,  -1.881,  -2.254)  ( 0.01,  0.09,  0.00)
164:     strbnd  ( -4.096,   7.781,   0.817)  ( -4.097,   7.781,   0.817)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.129,   0.136,   0.405)  (  0.129,   0.136,   0.407)  ( 0.00,  0.00,  0.05)
164:     oop     (  0.078,  -0.007,   0.518)  (  0.066,  -0.007,   0.445)  ( 0.09,  0.00,  3.76)
164:     vdw     ( 11.264,  -7.207,  -2.094)  ( 11.264,  -7.207,  -2.094)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.635,  -0.582,  -0.260)  ( -0.635,  -0.582,  -0.260)  ( 0.00,  0.00,  0.00)
164: 21       (  0.070,   0.058,   0.371)  (  0.080,  -0.012,   0.135)  ( 0.07,  0.40,  8.76)
164:     bond    (  7.503, -21.569,  13.282)  (  7.507, -21.565,  13.286)  ( 0.05,  0.02,  0.03)
164:     angle   ( -8.074,  14.944, -23.421)  ( -8.072,  14.947, -23.419)  ( 0.03,  0.01,  0.01)
164:     strbnd  (  2.250,   2.780,   1.796)  (  2.249,   2.779,   1.795)  ( 0.04,  0.04,  0.03)
164:     torsion ( -0.293,   1.133,   8.011)  ( -0.293,   1.133,   8.011)  ( 0.00,  0.01,  0.00)
164:     oop     ( -0.019,   0.274,   0.893)  ( -0.014,   0.200,   0.651)  ( 0.01,  2.04, 21.55)
164:     vdw     ( -0.617,   2.348,  -0.996)  ( -0.617,   2.348,  -0.996)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.681,   0.147,   0.808)  ( -0.681,   0.147,   0.808)  ( 0.00,  0.00,  0.00)
164: 22       (  0.335,  -0.174,   0.517)  (  0.341,  -0.168,   0.522)  ( 0.18,  0.10,  0.29)
164:     bond    ( 10.845,  -2.778,  -8.094)  ( 10.850,  -2.774,  -8.090)  ( 0.04,  0.15,  0.05)
164:     angle   ( -9.008,  -1.801,   6.507)  ( -9.006,  -1.799,   6.508)  ( 0.02,  0.10,  0.03)
164:     strbnd  (  0.507,  -2.141,   2.316)  (  0.507,  -2.141,   2.315)  ( 0.04,  0.02,  0.03)
164:     torsion (  0.379,   2.149,  -1.075)  (  0.379,   2.149,  -1.075)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.389,   4.398,   0.864)  ( -2.389,   4.398,   0.864)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 23       ( -0.056,  -0.173,  -0.298)  ( -0.051,  -0.167,  -0.292)  ( 0.03,  0.09,  0.18)
164:     bond    ( -9.863,  -5.250,   2.250)  ( -9.858,  -5.246,   2.255)  ( 0.04,  0.08,  0.21)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pj3_86a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pj4_414.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pj5_11b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pj6_059.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pj7_235.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pj8_17a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pj9_281.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pja_33z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pjb_983.sdf
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.121,  -2.368,   1.004)  (  0.121,  -2.368,   1.004)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.061,   0.637,  -0.033)  ( -0.061,   0.637,  -0.033)  ( 0.00,  0.00,  0.00)
162: 23       ( 33.513,  33.559,  34.875)  ( 33.516,  33.564,  34.886)  ( 0.01,  0.01,  0.03)
162:     bond    (  9.700,  21.267,  45.550)  (  9.701,  21.270,  45.562)  ( 0.01,  0.01,  0.02)
162:     angle   ( 24.199,  11.941, -10.729)  ( 24.201,  11.943, -10.728)  ( 0.01,  0.02,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.403,  -0.036,  -0.098)  ( -0.403,  -0.036,  -0.098)  ( 0.00,  0.00,  0.00)
162:     electro (  0.017,   0.387,   0.151)  (  0.017,   0.387,   0.151)  ( 0.00,  0.00,  0.00)
162: 24       ( 40.893,  68.265, -38.893)  ( 40.898,  68.273, -38.888)  ( 0.01,  0.01,  0.01)
162:     bond    (-23.294,  33.180, -26.795)  (-23.290,  33.187, -26.791)  ( 0.01,  0.02,  0.02)
162:     angle   ( 65.430,  35.828, -12.500)  ( 65.432,  35.829, -12.499)  ( 0.00,  0.00,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.012,  -1.043,   0.412)  ( -1.012,  -1.043,   0.412)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.231,   0.300,  -0.010)  ( -0.231,   0.300,  -0.010)  ( 0.00,  0.00,  0.00)
162: ok 16 # gradients 
162: ok 17 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (280.385,  79.113, -45.579)  (280.423,  79.148, -45.561)  ( 0.01,  0.04,  0.04)
162:     bond    (269.764,  65.096, -61.045)  (269.793,  65.121, -61.035)  ( 0.01,  0.04,  0.02)
162:     angle   ( -0.386,   0.172,  -0.097)  ( -0.379,   0.180,  -0.092)  ( 0.28,  0.15,  0.05)
162:     torsion ( -0.078,   0.077,   0.128)  ( -0.077,   0.078,   0.131)  ( 0.01,  0.01,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 11.087,  13.768,  15.435)  ( 11.087,  13.769,  15.435)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  2       ( -0.039, 251.973, -153.609)  ( -0.000, 252.014, -153.597)  ( 0.15,  0.02,  0.01)
162:     bond    ( -0.027, 231.339, -164.452)  (  0.000, 231.370, -164.446)  ( 0.07,  0.01,  0.00)
162:     angle   ( -0.010,   0.062,  -0.251)  ( -0.000,   0.070,  -0.248)  ( 0.01,  0.05,  0.09)
162:     torsion ( -0.001,  -0.029,  -0.095)  ( -0.000,  -0.028,  -0.091)  ( 0.00,  0.00,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.001,  20.601,  11.189)  (  0.000,  20.601,  11.189)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  3       ( -0.039, -252.054, -153.609)  (  0.000, -252.014, -153.597)  ( 0.15,  0.02,  0.01)
162:     bond    ( -0.027, -231.402, -164.452)  (  0.000, -231.370, -164.446)  ( 0.07,  0.01,  0.00)
162:     angle   ( -0.010,  -0.078,  -0.251)  ( -0.000,  -0.070,  -0.248)  ( 0.01,  0.06,  0.09)
162:     torsion ( -0.001,   0.027,  -0.095)  (  0.000,   0.028,  -0.091)  ( 0.00,  0.00,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.001, -20.602,  11.189)  (  0.000, -20.601,  11.189)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  4       (280.385, -79.182, -45.579)  (280.423, -79.148, -45.561)  ( 0.01,  0.04,  0.04)
162:     bond    (269.764, -65.145, -61.045)  (269.793, -65.121, -61.035)  ( 0.01,  0.04,  0.02)
162:     angle   ( -0.386,  -0.189,  -0.097)  ( -0.379,  -0.180,  -0.092)  ( 0.28,  0.16,  0.05)
162:     torsion ( -0.078,  -0.079,   0.128)  ( -0.077,  -0.078,   0.131)  ( 0.01,  0.01,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 11.087, -13.769,  15.435)  ( 11.087, -13.769,  15.435)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  5       (-127.758, 175.179, -201.805)  (-127.730, 175.217, -201.780)  ( 0.02,  0.02,  0.01)
162:     bond    (-105.528, 167.839, -204.493)  (-105.508, 167.867, -204.477)  ( 0.02,  0.02,  0.01)
162:     angle   ( -0.037,   0.417,   0.081)  ( -0.030,   0.425,   0.086)  ( 0.03,  0.36,  0.04)
162:     torsion (  0.072,   0.059,  -0.086)  (  0.074,   0.061,  -0.083)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-22.266,   6.864,   2.694)  (-22.266,   6.864,   2.694)  ( 0.00,  0.01,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  6       (-127.758, -175.256, -201.805)  (-127.730, -175.217, -201.780)  ( 0.02,  0.02,  0.01)
162:     bond    (-105.528, -167.895, -204.493)  (-105.508, -167.867, -204.477)  ( 0.02,  0.02,  0.01)
162:     angle   ( -0.037,  -0.434,   0.081)  ( -0.030,  -0.425,   0.086)  ( 0.03,  0.38,  0.04)
162:     torsion (  0.072,  -0.062,  -0.086)  (  0.074,  -0.061,  -0.083)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-22.266,  -6.865,   2.694)  (-22.266,  -6.864,   2.694)  ( 0.00,  0.01,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  7       (-280.461,  79.113, -45.579)  (-280.423,  79.148, -45.561)  ( 0.01,  0.04,  0.04)
162:     bond    (-269.822,  65.096, -61.045)  (-269.793,  65.121, -61.035)  ( 0.01,  0.04,  0.02)
162:     angle   (  0.372,   0.172,  -0.097)  (  0.379,   0.180,  -0.092)  ( 0.27,  0.15,  0.05)
162:     torsion (  0.076,   0.077,   0.128)  (  0.077,   0.078,   0.131)  ( 0.01,  0.01,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-11.087,  13.768,  15.435)  (-11.087,  13.769,  15.435)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  8       (-280.461, -79.182, -45.579)  (-280.423, -79.148, -45.561)  ( 0.01,  0.04,  0.04)
162:     bond    (-269.822, -65.145, -61.045)  (-269.793, -65.121, -61.035)  ( 0.01,  0.04,  0.02)
162:     angle   (  0.372,  -0.189,  -0.097)  (  0.379,  -0.180,  -0.092)  ( 0.27,  0.16,  0.05)
162:     torsion (  0.076,  -0.079,   0.128)  (  0.077,  -0.078,   0.131)  ( 0.01,  0.01,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-11.087, -13.769,  15.435)  (-11.087, -13.769,  15.435)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:  9       (175.179, 201.756, 127.701)  (175.217, 201.780, 127.730)  ( 0.02,  0.01,  0.02)
162:     bond    (167.839, 204.461, 105.488)  (167.867, 204.477, 105.508)  ( 0.02,  0.01,  0.02)
162:     angle   (  0.417,  -0.092,   0.023)  (  0.425,  -0.086,   0.030)  ( 0.36,  0.05,  0.02)
162:     torsion (  0.059,   0.081,  -0.075)  (  0.061,   0.083,  -0.074)  ( 0.01,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.864,  -2.694,  22.265)  (  6.864,  -2.694,  22.266)  ( 0.01,  0.01,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 10       ( 45.542, 280.385,  79.113)  ( 45.561, 280.423,  79.148)  ( 0.04,  0.01,  0.04)
162:     bond    ( 61.024, 269.764,  65.096)  ( 61.035, 269.793,  65.121)  ( 0.02,  0.01,  0.04)
162:     angle   (  0.087,  -0.386,   0.172)  (  0.092,  -0.379,   0.180)  ( 0.05,  0.28,  0.15)
162:     torsion ( -0.134,  -0.078,   0.077)  ( -0.131,  -0.077,   0.078)  ( 0.04,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-15.435,  11.087,  13.768)  (-15.435,  11.087,  13.769)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pjc_343.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pjl_047.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pjt_347.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pnc_clu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pnr_red.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pnu_enm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pp1_llh.sdf
158: ok 888 # number of heavy atoms match
158: ok 889 # number of heavy atoms match
158: ok 890 # number of heavy atoms match
158: ok 891 # number of heavy atoms match
158: ok 892 # number of heavy atoms match
158: ok 893 # number of heavy atoms match
158: ok 894 # number of heavy atoms match
158: ok 895 # number of heavy atoms match
158: ok 896 # number of heavy atoms match
158: ok 897 # number of heavy atoms match
158: ok 898 # number of heavy atoms match
158: ok 899 # number of heavy atoms match
158: ok 900 # number of heavy atoms match
158: ok 901 # number of heavy atoms match
158: ok 902 # number of heavy atoms match
158: ok 903 # number of heavy atoms match
158: ok 904 # number of heavy atoms match
158: ok 905 # number of heavy atoms match
158: ok 906 # number of heavy atoms match
158: ok 907 # number of heavy atoms match
158: ok 908 # number of heavy atoms match
158: ok 909 # number of heavy atoms match
158: ok 910 # number of heavy atoms match
158: ok 911 # number of heavy atoms match
158: ok 912 # number of heavy atoms match
158: ok 913 # number of heavy atoms match
158: ok 914 # number of heavy atoms match
158: ok 915 # number of heavy atoms match
158: ok 916 # number of heavy atoms match
158: ok 917 # number of heavy atoms match
158: ok 918 # number of heavy atoms match
158: ok 919 # number of heavy atoms match
158: ok 920 # number of heavy atoms match
158: ok 921 # number of heavy atoms match
158: ok 922 # number of heavy atoms match
158: ok 923 # number of heavy atoms match
158: ok 924 # number of heavy atoms match
158: ok 925 # number of heavy atoms match
158: ok 926 # number of heavy atoms match
158: ok 927 # number of heavy atoms match
158: ok 928 # number of heavy atoms match
158: ok 929 # number of heavy atoms match
158: ok 930 # number of heavy atoms match
158: ok 931 # number of heavy atoms match
158: ok 932 # number of heavy atoms match
158: ok 933 # number of heavy atoms match
158: ok 934 # number of heavy atoms match
158: ok 935 # number of heavy atoms match
158: ok 936 # number of heavy atoms match
158: ok 937 # number of heavy atoms match
158: ok 938 # number of heavy atoms match
158: ok 939 # number of heavy atoms match
158: ok 940 # number of heavy atoms match
158: ok 941 # number of heavy atoms match
158: ok 942 # number of heavy atoms match
158: ok 943 # number of heavy atoms match
158: ok 944 # number of heavy atoms match
158: ok 945 # number of heavy atoms match
158: ok 946 # number of heavy atoms match
158: ok 947 # number of heavy atoms match
158: ok 948 # number of heavy atoms match
158: ok 949 # number of heavy atoms match
158: ok 950 # number of heavy atoms match
158: ok 951 # number of heavy atoms match
158: ok 952 # number of heavy atoms match
158: ok 953 # number of heavy atoms match
158: ok 954 # number of heavy atoms match
158: ok 955 # number of heavy atoms match
158: ok 956 # number of heavy atoms match
158: ok 957 # number of heavy atoms match
158: ok 958 # number of heavy atoms match
158: ok 959 # number of heavy atoms match
158: ok 960 # number of heavy atoms match
158: ok 961 # number of heavy atoms match
158: ok 962 # number of heavy atoms match
158: ok 963 # number of heavy atoms match
158: ok 964 # number of heavy atoms match
158: ok 965 # number of heavy atoms match
158: ok 966 # number of heavy atoms match
158: ok 967 # number of heavy atoms match
158: ok 968 # number of heavy atoms match
158: ok 969 # number of heavy atoms match
158: ok 970 # number of heavy atoms match
158: ok 971 # number of heavy atoms match
158: ok 972 # number of heavy atoms match
158: ok 973 # number of heavy atoms match
158: ok 974 # number of heavy atoms match
158: ok 975 # number of heavy atoms match
158: ok 976 # number of heavy atoms match
158: ok 977 # number of heavy atoms match
158: ok 978 # number of heavy atoms match
158: ok 979 # number of heavy atoms match
158: ok 980 # number of heavy atoms match
158: ok 981 # number of heavy atoms match
158: ok 982 # number of heavy atoms match
158: ok 983 # number of heavy atoms match
158: ok 984 # number of heavy atoms match
158: ok 985 # number of heavy atoms match
158: ok 986 # number of heavy atoms match
158: ok 987 # number of heavy atoms match
158: ok 988 # number of heavy atoms match
158: ok 989 # number of heavy atoms match
158: ok 990 # number of heavy atoms match
158: ok 991 # number of heavy atoms match
158: ok 992 # number of heavy atoms match
158: ok 993 # number of heavy atoms match
158: ok 994 # number of heavy atoms match
158: ok 995 # number of heavy atoms match
158: ok 996 # number of heavy atoms match
158: ok 997 # number of heavy atoms match
158: ok 998 # number of heavy atoms match
158: ok 999 # number of heavy atoms match
158: ok 1000 # number of heavy atoms match
158: ok 1001 # number of heavy atoms match
158: ok 1002 # number of heavy atoms match
158: ok 1003 # number of heavy atoms match
158: ok 1004 # number of heavy atoms match
158: ok 1005 # number of heavy atoms match
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pp3_lgt.sdf
157/208 Test #158: test_cansmi_1 ....................   Passed    0.62 sec
test 165
        Start 165: test_ffmmff94_2
165: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "ffmmff94" "2"
165: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
165: Environment variables: 
165:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
165:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
165: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pq9_gg9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pqz_g0g.sdf
164:     angle   ( 12.507,   0.572,   0.600)  ( 12.509,   0.573,   0.602)  ( 0.02,  0.10,  0.10)
164:     strbnd  (  0.608,  -3.802,   1.723)  (  0.607,  -3.803,   1.722)  ( 0.05,  0.02,  0.03)
164:     torsion ( -1.338,   1.223,  -0.733)  ( -1.338,   1.223,  -0.733)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.970,   7.085,  -4.139)  ( -1.970,   7.085,  -4.139)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 24       (  0.006,  -0.005,   0.058)  (  0.012,   0.000,   0.060)  ( 0.00,  0.00,  0.02)
164:     bond    ( -0.866, -18.509,   3.882)  ( -0.862, -18.505,   3.887)  ( 0.40,  0.02,  0.12)
164:     angle   (  5.959,  26.024,  -8.109)  (  5.962,  26.026,  -8.108)  ( 0.04,  0.01,  0.02)
164:     strbnd  (-10.525,  -2.634,   0.562)  (-10.527,  -2.635,   0.562)  ( 0.02,  0.03,  0.02)
164:     torsion ( -0.876,  -1.089,   1.253)  ( -0.876,  -1.089,   1.253)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.001,   0.002,   0.014)  ( -0.000,   0.002,   0.010)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.349,  -4.597,   0.926)  (  2.349,  -4.597,   0.926)  ( 0.01,  0.00,  0.00)
164:     electro (  3.966,   0.797,   1.529)  (  3.966,   0.797,   1.529)  ( 0.00,  0.00,  0.00)
164: 25       ( -0.014,  -0.101,  -0.165)  ( -0.009,  -0.095,  -0.159)  ( 0.01,  0.06,  0.10)
164:     bond    ( -3.870,  12.275,  -0.924)  ( -3.866,  12.279,  -0.920)  ( 0.10,  0.03,  0.41)
164:     angle   ( -5.572, -18.333,   5.423)  ( -5.570, -18.330,   5.425)  ( 0.04,  0.01,  0.03)
164:     strbnd  ( -1.114,  -2.631,  -0.165)  ( -1.115,  -2.631,  -0.166)  ( 0.10,  0.02,  0.00)
164:     torsion (  3.318,  -0.490,  -3.647)  (  3.318,  -0.490,  -3.647)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  7.225,   9.078,  -0.852)  (  7.225,   9.078,  -0.852)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 26       ( -0.228,   0.018,   0.143)  ( -0.223,   0.024,   0.149)  ( 0.11,  0.01,  0.08)
164:     bond    (  4.426, -15.861,  -0.954)  (  4.429, -15.857,  -0.949)  ( 0.08,  0.03,  0.45)
164:     angle   ( -8.266,  12.873,  -7.689)  ( -8.264,  12.875,  -7.687)  ( 0.02,  0.02,  0.03)
164:     strbnd  (  1.193,   5.294,   4.137)  (  1.192,   5.293,   4.136)  ( 0.07,  0.01,  0.03)
164:     torsion ( -0.164,  -0.701,   3.652)  ( -0.164,  -0.701,   3.652)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.542,  -1.377,   0.272)  ( -0.542,  -1.377,   0.272)  ( 0.01,  0.00,  0.00)
164:     electro (  3.125,  -0.209,   0.725)  (  3.125,  -0.209,   0.725)  ( 0.00,  0.00,  0.00)
164: 27       ( -0.131,   0.200,   0.315)  ( -0.126,   0.205,   0.322)  ( 0.06,  0.11,  0.19)
164:     bond    ( -1.243,  14.723,   1.076)  ( -1.239,  14.727,   1.080)  ( 0.30,  0.03,  0.41)
164:     angle   ( -2.830, -11.271,   1.923)  ( -2.828, -11.269,   1.924)  ( 0.07,  0.02,  0.10)
164:     strbnd  (  1.105,  -0.095,   0.631)  (  1.104,  -0.095,   0.630)  ( 0.10,  0.01,  0.02)
164:     torsion (  1.263,  -4.544,  -4.977)  (  1.263,  -4.544,  -4.977)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.574,   1.387,   1.663)  (  1.574,   1.387,   1.663)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 28       ( -0.164,   0.308,   0.056)  ( -0.159,   0.314,   0.060)  ( 0.08,  0.19,  0.03)
164:     bond    ( -2.953, -11.140,   2.764)  ( -2.949, -11.136,   2.768)  ( 0.12,  0.04,  0.15)
164:     angle   ( -6.707,  11.635,   3.591)  ( -6.705,  11.637,   3.594)  ( 0.03,  0.02,  0.06)
164:     strbnd  (  1.933,  -1.383,  -4.721)  (  1.932,  -1.383,  -4.722)  ( 0.05,  0.02,  0.03)
164:     torsion ( -0.767,   1.045,   0.680)  ( -0.767,   1.045,   0.680)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.685,  -1.579,   0.134)  ( -1.684,  -1.579,   0.134)  ( 0.01,  0.00,  0.00)
164:     electro ( 10.015,   1.730,  -2.393)  ( 10.015,   1.730,  -2.393)  ( 0.00,  0.00,  0.00)
164: 29       ( -0.089,   0.132,  -0.028)  ( -0.179,   0.268,   0.043)  ( 0.80,  1.80,  0.20)
164:     bond    ( -3.268,   7.249,   5.605)  ( -3.264,   7.254,   5.609)  ( 0.11,  0.06,  0.08)
164:     angle   (  1.228,  -5.262,  -5.708)  (  1.229,  -5.261,  -5.706)  ( 0.14,  0.03,  0.04)
164:     strbnd  ( -1.075,   1.910,   2.578)  ( -1.075,   1.910,   2.578)  ( 0.06,  0.02,  0.02)
164:     torsion ( -1.983,  -2.819,  -0.108)  ( -1.983,  -2.819,  -0.108)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.919,  -1.262,  -0.629)  (  0.825,  -1.132,  -0.564)  ( 8.72, 10.33,  4.10)
164:     vdw     (  3.898,  -0.356,  -3.193)  (  3.898,  -0.356,  -3.193)  ( 0.00,  0.00,  0.00)
164:     electro (  0.191,   0.672,   1.426)  (  0.191,   0.672,   1.426)  ( 0.00,  0.00,  0.00)
164: 30       ( -1.041,   1.402,   0.516)  ( -0.321,   0.483,   0.053)  (69.21, 65.53, 23.86)
164:     bond    ( -1.273,  -3.810,   6.037)  ( -1.269,  -3.807,   6.047)  ( 0.30,  0.07,  0.16)
164:     angle   (  1.224,   1.913,   5.350)  (  1.225,   1.914,   5.352)  ( 0.15,  0.07,  0.03)
164:     strbnd  ( -1.468,   0.550,  -3.069)  ( -1.469,   0.549,  -3.071)  ( 0.07,  0.04,  0.07)
164:     torsion ( -0.091,   0.173,   0.599)  ( -0.091,   0.173,   0.599)  ( 0.00,  0.00,  0.00)
164:     oop     ( -3.638,   4.815,   2.435)  ( -2.922,   3.893,   1.963)  (19.69, 19.15, 19.39)
164:     vdw     (  6.948,  -1.148,  -6.767)  (  6.948,  -1.148,  -6.767)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.744,  -1.090,  -4.069)  ( -2.744,  -1.090,  -4.069)  ( 0.00,  0.00,  0.00)
164: 31       (  0.881,  -1.368,  -1.069)  (  0.567,  -0.962,  -0.854)  (27.76, 29.71, 20.14)
164:     bond    (  0.058,   0.328,  -0.551)  (  0.058,   0.330,  -0.546)  ( 0.00,  0.06,  0.28)
164:     angle   ( -2.127,  -1.116,  -0.901)  ( -2.127,  -1.116,  -0.901)  ( 0.03,  0.02,  0.01)
164:     strbnd  ( -0.372,  -0.811,   1.064)  ( -0.372,  -0.811,   1.064)  ( 0.00,  0.01,  0.01)
164:     torsion (  0.357,  -0.491,  -0.258)  (  0.357,  -0.491,  -0.258)  ( 0.00,  0.00,  0.00)
164:     oop     (  1.362,  -1.784,  -0.930)  (  1.047,  -1.380,  -0.720)  (23.18, 22.66, 19.55)
164:     vdw     (  3.653,   3.015,  -1.101)  (  3.653,   3.015,  -1.101)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.050,  -0.510,   1.609)  ( -2.050,  -0.510,   1.609)  ( 0.00,  0.00,  0.00)
164: 32       ( -0.790,   1.265,   0.167)  ( -1.091,   1.654,   0.369)  (23.83, 30.79,  3.37)
164:     bond    ( -3.495,  -0.110,  -5.185)  ( -3.493,  -0.110,  -5.181)  ( 0.06,  0.00,  0.09)
164:     angle   (  0.338,   0.315,  -0.235)  (  0.339,   0.316,  -0.235)  ( 0.01,  0.02,  0.00)
164:     strbnd  (  0.426,  -0.497,   1.754)  (  0.426,  -0.497,   1.754)  ( 0.01,  0.00,  0.01)
164:     torsion ( -0.160,   0.219,   0.103)  ( -0.160,   0.219,   0.103)  ( 0.00,  0.00,  0.00)
164:     oop     (  1.355,  -1.770,  -0.876)  (  1.050,  -1.382,  -0.679)  (22.48, 21.97, 17.28)
164:     vdw     (  8.930,   2.395,  -1.527)  (  8.930,   2.395,  -1.527)  ( 0.00,  0.00,  0.00)
164:     electro ( -8.183,   0.713,   6.132)  ( -8.183,   0.713,   6.132)  ( 0.00,  0.00,  0.00)
164: 33       ( -0.924,   0.360,  -0.139)  ( -0.923,   0.367,  -0.135)  ( 0.06,  0.24,  0.05)
164:     bond    ( -0.019,  -1.678,  -1.610)  ( -0.019,  -1.671,  -1.608)  ( 0.00,  0.37,  0.18)
164:     angle   (  8.749,  -2.680,   5.549)  (  8.750,  -2.680,   5.550)  ( 0.01,  0.01,  0.02)
164:     strbnd  (  0.282,  -2.395,  -3.567)  (  0.282,  -2.395,  -3.567)  ( 0.00,  0.00,  0.01)
164:     torsion ( -0.756,   0.926,  -0.619)  ( -0.756,   0.926,  -0.619)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.059,   4.362,   2.702)  (  2.059,   4.362,   2.702)  ( 0.01,  0.00,  0.00)
164:     electro (-11.239,   1.825,  -2.594)  (-11.239,   1.825,  -2.594)  ( 0.00,  0.00,  0.00)
164: 34       (  0.039,   0.551,   0.057)  (  0.045,   0.552,   0.061)  ( 0.02,  0.04,  0.02)
164:     bond    ( 13.740,   3.045, -11.264)  ( 13.745,   3.046, -11.261)  ( 0.04,  0.01,  0.03)
164:     angle   (  3.434,  -0.862,  -3.531)  (  3.435,  -0.861,  -3.530)  ( 0.02,  0.04,  0.03)
164:     strbnd  ( -0.868,  -0.657,   2.046)  ( -0.868,  -0.658,   2.046)  ( 0.01,  0.00,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pr2_dg1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2prh_238.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2prl_ddq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2prl_r2c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ps1_oro.sdf
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 11       ( 45.542, -280.461,  79.113)  ( 45.561, -280.423,  79.148)  ( 0.04,  0.01,  0.04)
162:     bond    ( 61.024, -269.822,  65.096)  ( 61.035, -269.793,  65.121)  ( 0.02,  0.01,  0.04)
162:     angle   (  0.087,   0.372,   0.172)  (  0.092,   0.379,   0.180)  ( 0.05,  0.27,  0.15)
162:     torsion ( -0.134,   0.076,   0.077)  ( -0.131,   0.077,   0.078)  ( 0.04,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-15.435, -11.087,  13.768)  (-15.435, -11.087,  13.769)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 12       (175.179, -201.805, 127.701)  (175.217, -201.780, 127.730)  ( 0.02,  0.01,  0.02)
162:     bond    (167.839, -204.493, 105.488)  (167.867, -204.477, 105.508)  ( 0.02,  0.01,  0.02)
162:     angle   (  0.417,   0.081,   0.023)  (  0.425,   0.086,   0.030)  ( 0.36,  0.04,  0.02)
162:     torsion (  0.059,  -0.086,  -0.075)  (  0.061,  -0.083,  -0.074)  ( 0.01,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.864,   2.694,  22.265)  (  6.864,   2.694,  22.266)  ( 0.01,  0.01,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 13       (201.756, -127.758, -175.256)  (201.780, -127.730, -175.217)  ( 0.01,  0.02,  0.02)
162:     bond    (204.461, -105.528, -167.895)  (204.477, -105.508, -167.867)  ( 0.01,  0.02,  0.02)
162:     angle   ( -0.092,  -0.037,  -0.434)  ( -0.086,  -0.030,  -0.425)  ( 0.05,  0.03,  0.38)
162:     torsion (  0.081,   0.072,  -0.062)  (  0.083,   0.074,  -0.061)  ( 0.02,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.694, -22.266,  -6.865)  ( -2.694, -22.266,  -6.864)  ( 0.01,  0.00,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 14       (-79.182,  45.542, -280.461)  (-79.148,  45.561, -280.423)  ( 0.04,  0.04,  0.01)
162:     bond    (-65.145,  61.024, -269.822)  (-65.121,  61.035, -269.793)  ( 0.04,  0.02,  0.01)
162:     angle   ( -0.189,   0.087,   0.372)  ( -0.180,   0.092,   0.379)  ( 0.16,  0.05,  0.27)
162:     torsion ( -0.079,  -0.134,   0.076)  ( -0.078,  -0.131,   0.077)  ( 0.01,  0.04,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-13.769, -15.435, -11.087)  (-13.769, -15.435, -11.087)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 15       (201.756, -127.758, 175.179)  (201.780, -127.730, 175.217)  ( 0.01,  0.02,  0.02)
162:     bond    (204.461, -105.528, 167.839)  (204.477, -105.508, 167.867)  ( 0.01,  0.02,  0.02)
162:     angle   ( -0.092,  -0.037,   0.417)  ( -0.086,  -0.030,   0.425)  ( 0.05,  0.03,  0.36)
162:     torsion (  0.081,   0.072,   0.059)  (  0.083,   0.074,   0.061)  ( 0.02,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.694, -22.266,   6.864)  ( -2.694, -22.266,   6.864)  ( 0.01,  0.00,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 16       (-252.054, 153.584,  -0.039)  (-252.014, 153.597,   0.000)  ( 0.02,  0.01,  0.15)
162:     bond    (-231.402, 164.441,  -0.027)  (-231.370, 164.446,   0.000)  ( 0.01,  0.00,  0.07)
162:     angle   ( -0.078,   0.245,  -0.010)  ( -0.070,   0.248,   0.000)  ( 0.06,  0.08,  0.01)
162:     torsion (  0.027,   0.087,  -0.001)  (  0.028,   0.091,  -0.000)  ( 0.00,  0.03,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-20.602, -11.189,  -0.001)  (-20.601, -11.189,  -0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 17       (127.701, -175.256, -201.805)  (127.730, -175.217, -201.780)  ( 0.02,  0.02,  0.01)
162:     bond    (105.488, -167.895, -204.493)  (105.508, -167.867, -204.477)  ( 0.02,  0.02,  0.01)
162:     angle   (  0.023,  -0.434,   0.081)  (  0.030,  -0.425,   0.086)  ( 0.02,  0.38,  0.04)
162:     torsion ( -0.075,  -0.062,  -0.086)  ( -0.074,  -0.061,  -0.083)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 22.265,  -6.865,   2.694)  ( 22.266,  -6.864,   2.694)  ( 0.00,  0.01,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 18       (-175.256, 201.756, 127.701)  (-175.217, 201.780, 127.730)  ( 0.02,  0.01,  0.02)
162:     bond    (-167.895, 204.461, 105.488)  (-167.867, 204.477, 105.508)  ( 0.02,  0.01,  0.02)
162:     angle   ( -0.434,  -0.092,   0.023)  ( -0.425,  -0.086,   0.030)  ( 0.38,  0.05,  0.02)
162:     torsion ( -0.062,   0.081,  -0.075)  ( -0.061,   0.083,  -0.074)  ( 0.01,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.865,  -2.694,  22.265)  ( -6.864,  -2.694,  22.266)  ( 0.01,  0.01,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 19       (-79.182,  45.542, 280.385)  (-79.148,  45.561, 280.423)  ( 0.04,  0.04,  0.01)
162:     bond    (-65.145,  61.024, 269.764)  (-65.121,  61.035, 269.793)  ( 0.04,  0.02,  0.01)
162:     angle   ( -0.189,   0.087,  -0.386)  ( -0.180,   0.092,  -0.379)  ( 0.16,  0.05,  0.28)
162:     torsion ( -0.079,  -0.134,  -0.078)  ( -0.078,  -0.131,  -0.077)  ( 0.01,  0.04,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-13.769, -15.435,  11.087)  (-13.769, -15.435,  11.087)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 20       ( 79.113,  45.542, -280.461)  ( 79.148,  45.561, -280.423)  ( 0.04,  0.04,  0.01)
162:     bond    ( 65.096,  61.024, -269.822)  ( 65.121,  61.035, -269.793)  ( 0.04,  0.02,  0.01)
162:     angle   (  0.172,   0.087,   0.372)  (  0.180,   0.092,   0.379)  ( 0.15,  0.05,  0.27)
162:     torsion (  0.077,  -0.134,   0.076)  (  0.078,  -0.131,   0.077)  ( 0.01,  0.04,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.768, -15.435, -11.087)  ( 13.769, -15.435, -11.087)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 21       (127.701, 175.179, -201.805)  (127.730, 175.217, -201.780)  ( 0.02,  0.02,  0.01)
162:     bond    (105.488, 167.839, -204.493)  (105.508, 167.867, -204.477)  ( 0.02,  0.02,  0.01)
162:     angle   (  0.023,   0.417,   0.081)  (  0.030,   0.425,   0.086)  ( 0.02,  0.36,  0.04)
162:     torsion ( -0.075,   0.059,  -0.086)  ( -0.074,   0.061,  -0.083)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 22.265,   6.864,   2.694)  ( 22.266,   6.864,   2.694)  ( 0.00,  0.01,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 22       (153.584,  -0.039, 251.973)  (153.597,   0.000, 252.014)  ( 0.01,  0.15,  0.02)
162:     bond    (164.441,  -0.027, 231.339)  (164.446,   0.000, 231.370)  ( 0.00,  0.07,  0.01)
162:     angle   (  0.245,  -0.010,   0.062)  (  0.248,  -0.000,   0.070)  ( 0.08,  0.01,  0.05)
162:     torsion (  0.087,  -0.001,  -0.029)  (  0.091,   0.000,  -0.028)  ( 0.03,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-11.189,  -0.001,  20.601)  (-11.189,   0.000,  20.601)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 23       (201.756, 127.701, -175.256)  (201.780, 127.730, -175.217)  ( 0.01,  0.02,  0.02)
162:     bond    (204.461, 105.488, -167.895)  (204.477, 105.508, -167.867)  ( 0.01,  0.02,  0.02)
162:     angle   ( -0.092,   0.023,  -0.434)  ( -0.086,   0.030,  -0.425)  ( 0.05,  0.02,  0.38)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2psj_cei.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2psu_muu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2psv_muv.sdf
165: # Testing MMFF94 Force Field...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pu2_dk2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2puj_hpz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pun_sr1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2put_f6r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2puv_m6r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2puz_nig.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pvh_p19.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pvj_p44.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pvk_p45.sdf
164:     torsion ( -0.397,   0.278,   0.129)  ( -0.397,   0.278,   0.129)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.894,   2.781,   6.709)  ( -1.894,   2.781,   6.709)  ( 0.01,  0.00,  0.00)
164:     electro (-13.976,  -4.035,   5.969)  (-13.976,  -4.035,   5.969)  ( 0.00,  0.00,  0.00)
164: 35       (  0.215,  -0.454,  -0.523)  (  0.219,  -0.455,  -0.518)  ( 0.09,  0.03,  0.24)
164:     bond    (  2.204,  -0.030,  -0.236)  (  2.207,  -0.030,  -0.236)  ( 0.17,  0.00,  0.00)
164:     angle   ( -0.031,  -0.619,  -0.215)  ( -0.031,  -0.619,  -0.215)  ( 0.00,  0.04,  0.00)
164:     strbnd  ( -0.630,  -0.117,   0.028)  ( -0.630,  -0.117,   0.028)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.041,   0.142,  -0.401)  ( -0.041,   0.142,  -0.401)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.003,   0.009,  -0.025)  ( -0.002,   0.007,  -0.021)  ( 0.00,  0.00,  0.01)
164:     vdw     ( -0.755,   0.010,   0.078)  ( -0.755,   0.010,   0.078)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.529,   0.151,   0.248)  ( -0.529,   0.151,   0.248)  ( 0.00,  0.00,  0.00)
164: 36       (  0.007,  -0.633,   0.684)  (  0.009,  -0.633,   0.694)  ( 0.00,  0.02,  0.66)
164:     bond    (  1.008,  -1.858,  -0.711)  (  1.009,  -1.855,  -0.710)  ( 0.08,  0.14,  0.03)
164:     angle   ( -0.810,  -0.409,  -0.083)  ( -0.810,  -0.408,  -0.083)  ( 0.04,  0.01,  0.00)
164:     strbnd  ( -0.164,   0.654,   0.244)  ( -0.164,   0.654,   0.244)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.047,  -0.195,   0.576)  (  0.047,  -0.195,   0.577)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.004,   0.018,  -0.054)  ( -0.003,   0.015,  -0.045)  ( 0.00,  0.01,  0.05)
164:     vdw     ( -0.412,   0.629,   0.244)  ( -0.412,   0.629,   0.244)  ( 0.00,  0.00,  0.00)
164:     electro (  0.342,   0.528,   0.467)  (  0.342,   0.528,   0.467)  ( 0.00,  0.00,  0.00)
164: 37       (  0.096,  -0.359,   0.906)  (  0.097,  -0.351,   0.890)  ( 0.00,  0.30,  1.47)
164:     bond    ( -1.065,  -1.705,  -0.491)  ( -1.064,  -1.702,  -0.491)  ( 0.09,  0.15,  0.01)
164:     angle   (  2.772,  -1.525,  -0.719)  (  2.772,  -1.525,  -0.719)  ( 0.02,  0.01,  0.00)
164:     strbnd  (  0.823,   1.075,   0.277)  (  0.823,   1.075,   0.277)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.096,  -0.361,   1.046)  (  0.096,  -0.361,   1.046)  ( 0.00,  0.00,  0.03)
164:     oop     (  0.009,  -0.035,   0.104)  (  0.007,  -0.030,   0.087)  ( 0.00,  0.02,  0.17)
164:     vdw     ( -4.611,   3.272,  -0.769)  ( -4.611,   3.272,  -0.769)  ( 0.00,  0.00,  0.00)
164:     electro (  2.074,  -1.079,   1.460)  (  2.074,  -1.079,   1.460)  ( 0.00,  0.00,  0.00)
164: 38       (  0.416,   0.331,  -1.341)  (  0.421,   0.315,  -1.283)  ( 0.22,  0.54,  4.33)
164:     bond    ( -0.610,   1.154,   0.431)  ( -0.609,   1.156,   0.432)  ( 0.05,  0.23,  0.02)
164:     angle   (  2.171,   1.091,   0.140)  (  2.172,   1.091,   0.140)  ( 0.03,  0.01,  0.00)
164:     strbnd  (  0.292,  -0.874,  -0.249)  (  0.292,  -0.874,  -0.249)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.070,   0.364,  -1.074)  ( -0.070,   0.364,  -1.074)  ( 0.00,  0.00,  0.03)
164:     oop     ( -0.025,   0.116,  -0.346)  ( -0.021,   0.097,  -0.289)  ( 0.01,  0.22,  1.99)
164:     vdw     ( -0.968,  -2.087,  -0.646)  ( -0.967,  -2.087,  -0.646)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.374,   0.569,   0.403)  ( -0.374,   0.569,   0.403)  ( 0.00,  0.00,  0.00)
164: 39       (  0.380,   0.037,  -1.541)  (  0.383,   0.036,  -1.529)  ( 0.11,  0.00,  0.79)
164:     bond    (  1.161,   1.766,   0.453)  (  1.162,   1.769,   0.453)  ( 0.09,  0.14,  0.01)
164:     angle   (  0.496,  -0.284,  -0.165)  (  0.497,  -0.284,  -0.165)  ( 0.02,  0.00,  0.00)
164:     strbnd  ( -0.428,  -0.962,  -0.256)  ( -0.428,  -0.962,  -0.256)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.154,   0.452,  -1.372)  ( -0.154,   0.452,  -1.372)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.008,   0.023,  -0.071)  ( -0.007,   0.019,  -0.059)  ( 0.00,  0.01,  0.08)
164:     vdw     ( -0.423,  -0.628,  -0.165)  ( -0.423,  -0.628,  -0.165)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.264,  -0.330,   0.035)  ( -0.264,  -0.330,   0.035)  ( 0.00,  0.00,  0.00)
164: 40       ( -0.101,   0.325,   0.544)  ( -0.076,   0.526,   0.340)  ( 0.26,  6.53, 11.09)
164:     bond    (  1.250,  -2.067,  -1.848)  (  1.251,  -2.065,  -1.846)  ( 0.07,  0.11,  0.10)
164:     angle   ( -6.227,  -1.125,  -2.962)  ( -6.226,  -1.124,  -2.961)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -0.245,  -0.553,  -0.380)  ( -0.245,  -0.553,  -0.380)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.954,  -0.617,   2.015)  (  1.954,  -0.617,   2.015)  ( 0.00,  0.01,  0.00)
164:     oop     ( -0.207,  -1.458,   1.491)  ( -0.183,  -1.260,   1.285)  ( 0.50, 13.62, 13.81)
164:     vdw     ( -0.907,   0.415,  -2.870)  ( -0.907,   0.416,  -2.870)  ( 0.01,  0.00,  0.00)
164:     electro (  4.281,   5.730,   5.098)  (  4.281,   5.730,   5.098)  ( 0.00,  0.00,  0.00)
164: 41       (  0.150,  -0.326,  -1.122)  (  0.156,  -0.330,  -1.156)  ( 0.09,  0.11,  3.09)
164:     bond    (  1.745,  -1.007,   0.287)  (  1.748,  -1.006,   0.287)  ( 0.17,  0.10,  0.00)
164:     angle   (  0.464,   0.801,  -0.015)  (  0.464,   0.801,  -0.015)  ( 0.01,  0.05,  0.00)
164:     strbnd  (  0.646,   0.353,  -0.007)  (  0.646,   0.352,  -0.007)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.413,  -0.701,  -4.980)  (  0.413,  -0.701,  -4.980)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.012,   0.022,   0.147)  ( -0.009,   0.017,   0.112)  ( 0.00,  0.01,  0.51)
164:     vdw     ( -2.888,  -0.070,   2.547)  ( -2.888,  -0.069,   2.547)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.219,   0.276,   0.899)  ( -0.219,   0.276,   0.899)  ( 0.00,  0.00,  0.00)
164: 42       ( -0.022,   0.418,   1.179)  ( -0.018,   0.419,   1.187)  ( 0.01,  0.04,  0.61)
164:     bond    ( -1.375,   0.917,   0.310)  ( -1.372,   0.918,   0.310)  ( 0.19,  0.11,  0.00)
164:     angle   (  3.321,   4.944,   0.058)  (  3.321,   4.944,   0.059)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -1.480,   0.664,   0.304)  ( -1.480,   0.664,   0.304)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.662,   0.518,  -4.465)  ( -0.662,   0.518,  -4.465)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.006,   0.005,  -0.042)  ( -0.005,   0.004,  -0.035)  ( 0.00,  0.00,  0.03)
164:     vdw     ( -0.590,  -7.239,   3.112)  ( -0.590,  -7.239,   3.112)  ( 0.00,  0.00,  0.00)
164:     electro (  0.772,   0.610,   1.902)  (  0.772,   0.610,   1.902)  ( 0.00,  0.00,  0.00)
164: 43       ( -0.711,   0.449,   1.668)  ( -0.708,   0.450,   1.671)  ( 0.25,  0.04,  0.19)
164:     bond    (  1.870,   0.804,  -0.109)  (  1.873,   0.804,  -0.109)  ( 0.17,  0.05,  0.00)
164:     angle   ( -0.221,   0.524,   0.072)  ( -0.221,   0.524,   0.072)  ( 0.00,  0.03,  0.00)
164:     strbnd  ( -1.440,  -0.145,   0.136)  ( -1.440,  -0.145,   0.136)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.118,  -0.120,   1.139)  (  0.118,  -0.120,   1.139)  ( 0.00,  0.00,  0.03)
164:     oop     ( -0.002,   0.002,  -0.018)  ( -0.002,   0.002,  -0.015)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.750,  -0.350,   0.003)  ( -0.750,  -0.350,   0.003)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.286,  -0.265,   0.445)  ( -0.286,  -0.265,   0.445)  ( 0.00,  0.00,  0.00)
164: 44       ( -1.146,   0.069,   0.778)  ( -1.144,   0.072,   0.786)  ( 0.13,  0.02,  0.61)
164:     bond    (  0.202,   1.622,   0.146)  (  0.202,   1.625,   0.146)  ( 0.00,  0.23,  0.00)
164:     angle   ( -1.147,   0.132,   0.122)  ( -1.147,   0.132,   0.122)  ( 0.06,  0.00,  0.00)
164:     strbnd  ( -0.299,  -0.281,   0.005)  ( -0.299,  -0.281,   0.005)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.051,  -0.056,   0.548)  (  0.051,  -0.056,   0.549)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.004,   0.004,  -0.044)  ( -0.004,   0.004,  -0.036)  ( 0.00,  0.00,  0.03)
164:     vdw     ( -0.104,  -0.746,  -0.073)  ( -0.104,  -0.746,  -0.073)  ( 0.00,  0.00,  0.00)
164:     electro (  0.156,  -0.607,   0.072)  (  0.156,  -0.607,   0.072)  ( 0.00,  0.00,  0.00)
164: 45       ( -0.998,  -0.419,  -0.572)  ( -0.996,  -0.416,  -0.587)  ( 0.13,  0.13,  0.80)
164:     bond    ( -2.026,   1.473,   0.312)  ( -2.024,   1.474,   0.312)  ( 0.12,  0.09,  0.00)
164:     angle   ( -0.884,  -1.211,  -0.011)  ( -0.883,  -1.211,  -0.011)  ( 0.02,  0.04,  0.00)
164:     strbnd  (  0.669,   0.039,  -0.071)  (  0.669,   0.039,  -0.071)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.083,   0.075,  -0.891)  ( -0.083,   0.075,  -0.891)  ( 0.00,  0.00,  0.03)
163:     torsion ( -0.000,   0.007,  -0.004)  ( -0.000,   0.007,  -0.004)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.616,   6.610,   3.772)  ( -0.616,   6.610,   3.772)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (-82.674, 109.685, -169.760)  (-82.667, 109.695, -169.740)  ( 0.01,  0.01,  0.01)
163:     bond    (-73.962, 104.530, -181.062)  (-73.958, 104.537, -181.043)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.196,   0.175,   0.020)  (  0.200,   0.178,   0.021)  ( 0.06,  0.05,  0.00)
163:     torsion ( -0.007,  -0.005,   0.000)  ( -0.007,  -0.005,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -8.901,   4.984,  11.282)  ( -8.901,   4.984,  11.282)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 13       (-82.951, -203.270,   2.440)  (-82.943, -203.245,   2.444)  ( 0.01,  0.01,  0.17)
163:     bond    (-73.956, -209.192,   0.116)  (-73.952, -209.167,   0.117)  ( 0.01,  0.01,  0.01)
163:     angle   (  0.236,  -0.085,   0.219)  (  0.240,  -0.085,   0.222)  ( 0.08,  0.00,  0.07)
163:     torsion (  0.012,  -0.004,   0.007)  (  0.012,  -0.004,   0.007)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -9.243,   6.011,   2.098)  ( -9.243,   6.012,   2.098)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 12 # gradients 
163: ok 13 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (-37.135, -25.583,  -5.155)  (-37.065, -25.493,  -5.141)  ( 0.19,  0.35,  0.27)
163:     bond    (-39.393, -37.584,  -9.117)  (-39.335, -37.506,  -9.108)  ( 0.15,  0.21,  0.11)
163:     angle   (  7.381,  12.289,   3.318)  (  7.394,  12.300,   3.319)  ( 0.17,  0.09,  0.04)
163:     torsion (  0.061,  -0.144,   0.321)  (  0.061,  -0.144,   0.324)  ( 0.00,  0.00,  0.09)
163:     vdw     ( -5.824,   0.116,   0.584)  ( -5.824,   0.116,   0.584)  ( 0.00,  0.00,  0.00)
163:     electro (  0.639,  -0.259,  -0.260)  (  0.639,  -0.259,  -0.260)  ( 0.00,  0.00,  0.00)
163:  2       ( 38.411,  37.278,   9.927)  ( 38.505,  37.348,   9.938)  ( 0.24,  0.19,  0.11)
163:     bond    ( 31.945,  49.472,  14.218)  ( 32.026,  49.531,  14.224)  ( 0.25,  0.12,  0.04)
163:     angle   (  8.741, -16.613,  -6.348)  (  8.754, -16.602,  -6.347)  ( 0.14,  0.07,  0.02)
163:     torsion ( -0.021,  -0.066,   0.306)  ( -0.021,  -0.066,   0.309)  ( 0.00,  0.00,  0.09)
163:     vdw     ( -2.211,   5.417,   2.288)  ( -2.211,   5.417,   2.288)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.043,  -0.931,  -0.537)  ( -0.043,  -0.931,  -0.537)  ( 0.00,  0.00,  0.00)
163:  3       ( 37.676,   9.956,  11.493)  ( 37.770,  10.028,  11.506)  ( 0.25,  0.72,  0.11)
163:     bond    ( 22.225, -39.741, -16.148)  ( 22.304, -39.682, -16.140)  ( 0.36,  0.15,  0.05)
163:     angle   ( 15.646,  49.327,  16.801)  ( 15.661,  49.339,  16.803)  ( 0.09,  0.02,  0.01)
163:     torsion (  0.640,  -4.608,  12.311)  (  0.640,  -4.608,  12.314)  ( 0.00,  0.01,  0.02)
163:     vdw     ( -0.175,   6.511,  -0.244)  ( -0.175,   6.511,  -0.244)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.660,  -1.533,  -1.228)  ( -0.660,  -1.533,  -1.228)  ( 0.00,  0.00,  0.00)
163:  4       (-82.568,   2.725,  38.198)  (-82.476,   2.823,  38.217)  ( 0.11,  3.60,  0.05)
163:     bond    (-63.591,  43.917,  19.919)  (-63.515,  43.994,  19.930)  ( 0.12,  0.18,  0.05)
163:     angle   (-24.738, -39.856,  21.223)  (-24.722, -39.835,  21.228)  ( 0.07,  0.05,  0.03)
163:     torsion ( -0.219,  -0.406,  -1.055)  ( -0.219,  -0.405,  -1.052)  ( 0.00,  0.03,  0.30)
163:     vdw     (  5.980,  -0.930,  -1.889)  (  5.980,  -0.930,  -1.889)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (-79.362, -10.491,   1.322)  (-79.266, -10.421,   1.335)  ( 0.12,  0.67,  0.93)
163:     bond    (-52.026,   2.020,   6.986)  (-51.946,   2.079,   6.994)  ( 0.16,  2.88,  0.11)
163:     angle   (-28.249,  -8.322,  -0.594)  (-28.234,  -8.310,  -0.592)  ( 0.05,  0.14,  0.10)
163:     torsion (  0.098,   1.325,  -3.983)  (  0.099,   1.325,  -3.980)  ( 0.00,  0.03,  0.07)
163:     vdw     ( -0.161,  -6.107,  -1.169)  ( -0.161,  -6.107,  -1.169)  ( 0.00,  0.00,  0.00)
163:     electro (  0.976,   0.593,   0.083)  (  0.976,   0.593,   0.083)  ( 0.00,  0.00,  0.00)
163:  6       ( 36.692, -14.717,  -9.327)  ( 36.783, -14.646,  -9.314)  ( 0.25,  0.48,  0.14)
163:     bond    ( 53.347, -12.349,  -9.653)  ( 53.426, -12.289,  -9.645)  ( 0.15,  0.48,  0.09)
163:     angle   (-14.012,   2.744,   2.305)  (-13.999,   2.755,   2.306)  ( 0.09,  0.41,  0.06)
163:     torsion ( -0.010,   0.362,  -0.308)  ( -0.010,   0.362,  -0.305)  ( 0.00,  0.01,  0.09)
163:     vdw     ( -3.247,  -5.827,  -1.669)  ( -3.247,  -5.827,  -1.669)  ( 0.00,  0.00,  0.00)
163:     electro (  0.614,   0.354,  -0.001)  (  0.614,   0.354,  -0.001)  ( 0.00,  0.00,  0.00)
163:  7       (200.889,   4.865, 180.344)  (200.967,   4.901, 180.385)  ( 0.04,  0.75,  0.02)
163:     bond    (222.352,  66.628, 140.599)  (222.417,  66.649, 140.627)  ( 0.03,  0.03,  0.02)
163:     angle   (  5.358,   8.587, -17.210)  (  5.370,   8.600, -17.200)  ( 0.22,  0.14,  0.06)
163:     torsion (-24.205, -77.836,  59.395)  (-24.204, -77.834,  59.396)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.040,   8.269,  -3.213)  ( -0.040,   8.269,  -3.213)  ( 0.00,  0.00,  0.00)
163:     electro ( -2.577,  -0.783,   0.775)  ( -2.577,  -0.783,   0.775)  ( 0.00,  0.00,  0.00)
163:  8       (-737.337, -58.076, -13.799)  (-737.247, -58.047, -13.726)  ( 0.01,  0.05,  0.52)
163:     bond    (-746.916,   5.571,  66.213)  (-746.841,   5.590,  66.276)  ( 0.01,  0.34,  0.10)
163:     angle   (  0.733, -57.566, -37.981)  (  0.748, -57.560, -37.972)  ( 1.06,  0.01,  0.02)
163:     torsion (  2.354,   5.244, -42.997)  (  2.354,   5.247, -42.997)  ( 0.01,  0.06,  0.00)
163:     vdw     (  5.596, -11.059,   1.056)  (  5.596, -11.058,   1.056)  ( 0.00,  0.01,  0.00)
163:     electro (  0.896,  -0.266,  -0.089)  (  0.896,  -0.266,  -0.089)  ( 0.00,  0.00,  0.00)
163:  9       ( 53.979, -50.957, -165.826)  ( 53.991, -50.942, -165.779)  ( 0.02,  0.03,  0.03)
163:     bond    ( 56.519, -79.843, -150.792)  ( 56.526, -79.830, -150.746)  ( 0.01,  0.02,  0.03)
163:     angle   (-10.922,  -2.355,  -2.847)  (-10.917,  -2.355,  -2.846)  ( 0.04,  0.01,  0.01)
163:     torsion ( -3.071,  52.160, -28.774)  ( -3.071,  52.160, -28.774)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 11.731, -21.333,  17.254)  ( 11.732, -21.332,  17.254)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.278,   0.414,  -0.667)  ( -0.278,   0.414,  -0.667)  ( 0.00,  0.00,  0.00)
163: 10       (902.852, -191.252, -156.971)  (902.958, -191.166, -156.961)  ( 0.01,  0.05,  0.01)
163:     bond    (1009.544, -205.757, -159.927)  (1009.639, -205.682, -159.922)  ( 0.01,  0.04,  0.00)
163:     angle   (-118.889,  28.667, -37.671)  (-118.878,  28.678, -37.668)  ( 0.01,  0.04,  0.01)
163:     torsion (  5.313, -17.875,  36.215)  (  5.313, -17.874,  36.217)  ( 0.00,  0.00,  0.00)
163:     vdw     (  6.885,   3.712,   4.412)  (  6.885,   3.712,   4.412)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       (319.105, -323.366, 188.016)  (319.191, -323.286, 188.027)  ( 0.03,  0.02,  0.01)
163:     bond    (249.730, -328.174,  79.290)  (249.802, -328.108,  79.298)  ( 0.03,  0.02,  0.01)
163:     angle   ( 68.513,  15.709, 114.859)  ( 68.526,  15.722, 114.861)  ( 0.02,  0.08,  0.00)
163:     torsion (  2.045,  -6.876,  -5.315)  (  2.045,  -6.876,  -5.314)  ( 0.00,  0.00,  0.03)
163:     vdw     ( -1.183,  -4.025,  -0.819)  ( -1.183,  -4.025,  -0.819)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (792.462, 567.885, -81.270)  (792.541, 567.969, -81.256)  ( 0.01,  0.01,  0.02)
163:     bond    (843.893, 675.743, -78.173)  (843.959, 675.813, -78.163)  ( 0.01,  0.01,  0.01)
163:     angle   (-49.137, -108.267,  -6.420)  (-49.125, -108.254,  -6.418)  ( 0.03,  0.01,  0.04)
163:     torsion ( -0.622,   0.403,   3.289)  ( -0.622,   0.403,   3.291)  ( 0.00,  0.00,  0.07)
163:     vdw     ( -1.673,   0.006,   0.034)  ( -1.673,   0.006,   0.034)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pvl_p55.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pvm_p29.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pvn_p63.sdf
162:     torsion (  0.081,  -0.075,  -0.062)  (  0.083,  -0.074,  -0.061)  ( 0.02,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.694,  22.265,  -6.865)  ( -2.694,  22.266,  -6.864)  ( 0.01,  0.00,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 24       (-45.579, -280.461,  79.113)  (-45.561, -280.423,  79.148)  ( 0.04,  0.01,  0.04)
162:     bond    (-61.045, -269.822,  65.096)  (-61.035, -269.793,  65.121)  ( 0.02,  0.01,  0.04)
162:     angle   ( -0.097,   0.372,   0.172)  ( -0.092,   0.379,   0.180)  ( 0.05,  0.27,  0.15)
162:     torsion (  0.128,   0.076,   0.077)  (  0.131,   0.077,   0.078)  ( 0.04,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 15.435, -11.087,  13.768)  ( 15.435, -11.087,  13.769)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 25       (-79.182, -45.579, -280.461)  (-79.148, -45.561, -280.423)  ( 0.04,  0.04,  0.01)
162:     bond    (-65.145, -61.045, -269.822)  (-65.121, -61.035, -269.793)  ( 0.04,  0.02,  0.01)
162:     angle   ( -0.189,  -0.097,   0.372)  ( -0.180,  -0.092,   0.379)  ( 0.16,  0.05,  0.27)
162:     torsion ( -0.079,   0.128,   0.076)  ( -0.078,   0.131,   0.077)  ( 0.01,  0.04,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-13.769,  15.435, -11.087)  (-13.769,  15.435, -11.087)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 26       (-175.256, -201.805, 127.701)  (-175.217, -201.780, 127.730)  ( 0.02,  0.01,  0.02)
162:     bond    (-167.895, -204.493, 105.488)  (-167.867, -204.477, 105.508)  ( 0.02,  0.01,  0.02)
162:     angle   ( -0.434,   0.081,   0.023)  ( -0.425,   0.086,   0.030)  ( 0.38,  0.04,  0.02)
162:     torsion ( -0.062,  -0.086,  -0.075)  ( -0.061,  -0.083,  -0.074)  ( 0.01,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.865,   2.694,  22.265)  ( -6.864,   2.694,  22.266)  ( 0.01,  0.01,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 27       (201.756, 127.701, 175.179)  (201.780, 127.730, 175.217)  ( 0.01,  0.02,  0.02)
162:     bond    (204.461, 105.488, 167.839)  (204.477, 105.508, 167.867)  ( 0.01,  0.02,  0.02)
162:     angle   ( -0.092,   0.023,   0.417)  ( -0.086,   0.030,   0.425)  ( 0.05,  0.02,  0.36)
162:     torsion (  0.081,  -0.075,   0.059)  (  0.083,  -0.074,   0.061)  ( 0.02,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.694,  22.265,   6.864)  ( -2.694,  22.266,   6.864)  ( 0.01,  0.00,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 28       (-252.054, -153.609,  -0.039)  (-252.014, -153.597,   0.000)  ( 0.02,  0.01,  0.15)
162:     bond    (-231.402, -164.452,  -0.027)  (-231.370, -164.446,   0.000)  ( 0.01,  0.00,  0.07)
162:     angle   ( -0.078,  -0.251,  -0.010)  ( -0.070,  -0.248,   0.000)  ( 0.06,  0.09,  0.01)
162:     torsion (  0.027,  -0.095,  -0.001)  (  0.028,  -0.091,   0.000)  ( 0.00,  0.03,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-20.602,  11.189,  -0.001)  (-20.601,  11.189,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 29       ( 79.113, -45.579, -280.461)  ( 79.148, -45.561, -280.423)  ( 0.04,  0.04,  0.01)
162:     bond    ( 65.096, -61.045, -269.822)  ( 65.121, -61.035, -269.793)  ( 0.04,  0.02,  0.01)
162:     angle   (  0.172,  -0.097,   0.372)  (  0.180,  -0.092,   0.379)  ( 0.15,  0.05,  0.27)
162:     torsion (  0.077,   0.128,   0.076)  (  0.078,   0.131,   0.077)  ( 0.01,  0.04,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.768,  15.435, -11.087)  ( 13.769,  15.435, -11.087)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 30       (251.973, 153.584,  -0.039)  (252.014, 153.597,   0.000)  ( 0.02,  0.01,  0.15)
162:     bond    (231.339, 164.441,  -0.027)  (231.370, 164.446,   0.000)  ( 0.01,  0.00,  0.07)
162:     angle   (  0.062,   0.245,  -0.010)  (  0.070,   0.248,   0.000)  ( 0.05,  0.08,  0.01)
162:     torsion ( -0.029,   0.087,  -0.001)  ( -0.028,   0.091,   0.000)  ( 0.00,  0.03,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 20.601, -11.189,  -0.001)  ( 20.601, -11.189,  -0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 31       (153.584,  -0.039, -252.054)  (153.597,  -0.000, -252.014)  ( 0.01,  0.15,  0.02)
162:     bond    (164.441,  -0.027, -231.402)  (164.446,   0.000, -231.370)  ( 0.00,  0.07,  0.01)
162:     angle   (  0.245,  -0.010,  -0.078)  (  0.248,   0.000,  -0.070)  ( 0.08,  0.01,  0.06)
162:     torsion (  0.087,  -0.001,   0.027)  (  0.091,  -0.000,   0.028)  ( 0.03,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-11.189,  -0.001, -20.602)  (-11.189,  -0.000, -20.601)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 32       (-45.579, 280.385,  79.113)  (-45.561, 280.423,  79.148)  ( 0.04,  0.01,  0.04)
162:     bond    (-61.045, 269.764,  65.096)  (-61.035, 269.793,  65.121)  ( 0.02,  0.01,  0.04)
162:     angle   ( -0.097,  -0.386,   0.172)  ( -0.092,  -0.379,   0.180)  ( 0.05,  0.28,  0.15)
162:     torsion (  0.128,  -0.078,   0.077)  (  0.131,  -0.077,   0.078)  ( 0.04,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 15.435,  11.087,  13.768)  ( 15.435,  11.087,  13.769)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 33       (-79.182, -45.579, 280.385)  (-79.148, -45.561, 280.423)  ( 0.04,  0.04,  0.01)
162:     bond    (-65.145, -61.045, 269.764)  (-65.121, -61.035, 269.793)  ( 0.04,  0.02,  0.01)
162:     angle   ( -0.189,  -0.097,  -0.386)  ( -0.180,  -0.092,  -0.379)  ( 0.16,  0.05,  0.28)
162:     torsion ( -0.079,   0.128,  -0.078)  ( -0.078,   0.131,  -0.077)  ( 0.01,  0.04,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-13.769,  15.435,  11.087)  (-13.769,  15.435,  11.087)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 34       (251.973, -153.609,  -0.039)  (252.014, -153.597,  -0.000)  ( 0.02,  0.01,  0.15)
162:     bond    (231.339, -164.452,  -0.027)  (231.370, -164.446,   0.000)  ( 0.01,  0.00,  0.07)
162:     angle   (  0.062,  -0.251,  -0.010)  (  0.070,  -0.248,   0.000)  ( 0.05,  0.09,  0.01)
162:     torsion ( -0.029,  -0.095,  -0.001)  ( -0.028,  -0.091,  -0.000)  ( 0.00,  0.03,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 20.601,  11.189,  -0.001)  ( 20.601,  11.189,  -0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 35       (-201.805, 127.701, -175.256)  (-201.780, 127.730, -175.217)  ( 0.01,  0.02,  0.02)
162:     bond    (-204.493, 105.488, -167.895)  (-204.477, 105.508, -167.867)  ( 0.01,  0.02,  0.02)
162:     angle   (  0.081,   0.023,  -0.434)  (  0.086,   0.030,  -0.425)  ( 0.04,  0.02,  0.38)
162:     torsion ( -0.086,  -0.075,  -0.062)  ( -0.083,  -0.074,  -0.061)  ( 0.02,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.694,  22.265,  -6.865)  (  2.694,  22.266,  -6.864)  ( 0.01,  0.00,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 36       (-201.805, 127.701, 175.179)  (-201.780, 127.730, 175.217)  ( 0.01,  0.02,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pvv_ose.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pvw_g88.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pw0_trc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pwa_b2a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2px1_rip.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pxh_bp5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pxi_gfh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pyz_au4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pzi_axx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2pzy_b18.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q09_di6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q1l_882.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q2n_h01.sdf
164:     oop     (  0.008,  -0.007,   0.085)  (  0.007,  -0.006,   0.071)  ( 0.00,  0.00,  0.12)
164:     vdw     (  0.563,  -0.681,  -0.091)  (  0.563,  -0.681,  -0.091)  ( 0.00,  0.00,  0.00)
164:     electro (  0.755,  -0.106,   0.094)  (  0.755,  -0.106,   0.094)  ( 0.00,  0.00,  0.00)
164: 46       ( -0.462,  -0.436,  -1.022)  ( -0.460,  -0.433,  -1.035)  ( 0.08,  0.10,  1.34)
164:     bond    ( -1.548,  -0.548,   0.144)  ( -1.545,  -0.547,   0.145)  ( 0.21,  0.02,  0.00)
164:     angle   ( -2.690,   7.839,   0.924)  ( -2.690,   7.840,   0.924)  ( 0.00,  0.01,  0.00)
164:     strbnd  (  2.263,   1.431,  -0.188)  (  2.263,   1.431,  -0.188)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.041,   0.010,  -0.399)  ( -0.041,   0.010,  -0.398)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.011,  -0.007,   0.092)  (  0.009,  -0.006,   0.078)  ( 0.00,  0.00,  0.13)
164:     vdw     (  2.373, -10.506,  -1.864)  (  2.373, -10.506,  -1.864)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.829,   1.345,   0.268)  ( -0.829,   1.345,   0.268)  ( 0.00,  0.00,  0.00)
164: 47       ( -0.364,   0.001,   0.224)  ( -0.363,   0.002,   0.227)  ( 0.04,  0.00,  0.06)
164:     bond    (  2.065,   0.651,   4.277)  (  2.066,   0.651,   4.280)  ( 0.03,  0.01,  0.06)
164:     angle   ( -1.189,   0.877,   0.440)  ( -1.189,   0.878,   0.440)  ( 0.04,  0.06,  0.01)
164:     strbnd  ( -1.004,  -2.559,  -2.464)  ( -1.004,  -2.559,  -2.464)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.081,   1.012,  -0.193)  (  0.081,   1.012,  -0.193)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.317,   0.020,  -1.836)  ( -0.317,   0.020,  -1.835)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 48       (  0.158,   0.208,   0.381)  (  0.161,   0.209,   0.382)  ( 0.05,  0.03,  0.02)
164:     bond    ( -1.345,  -0.662,  -0.174)  ( -1.342,  -0.661,  -0.174)  ( 0.21,  0.04,  0.00)
164:     angle   (  2.482,  -5.347,   1.171)  (  2.482,  -5.347,   1.171)  ( 0.00,  0.01,  0.04)
164:     strbnd  ( -0.569,  -0.838,  -0.623)  ( -0.569,  -0.838,  -0.623)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.479,  -1.375,   1.531)  (  0.479,  -1.375,   1.531)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.889,   8.429,  -1.524)  ( -0.889,   8.429,  -1.524)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 49       (  0.370,  -0.684,   0.437)  (  0.371,  -0.684,   0.441)  ( 0.03,  0.03,  0.14)
164:     bond    ( -0.186,   0.025,  -0.685)  ( -0.186,   0.025,  -0.682)  ( 0.00,  0.00,  0.22)
164:     angle   (  1.336,  -2.129,  -0.442)  (  1.336,  -2.128,  -0.442)  ( 0.04,  0.02,  0.00)
164:     strbnd  (  0.611,  -0.262,  -0.310)  (  0.611,  -0.262,  -0.310)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.104,  -0.201,   0.021)  ( -0.104,  -0.201,   0.021)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.287,   1.882,   1.854)  ( -1.287,   1.882,   1.854)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 50       (  0.588,   0.088,   1.012)  (  0.589,   0.092,   1.013)  ( 0.04,  0.03,  0.07)
164:     bond    (  0.403,  -2.471,   0.627)  (  0.403,  -2.468,   0.627)  ( 0.00,  0.12,  0.01)
164:     angle   (  5.516,   0.699,  -0.794)  (  5.517,   0.699,  -0.793)  ( 0.01,  0.00,  0.04)
164:     strbnd  (  0.314,   1.208,  -0.817)  (  0.314,   1.208,  -0.817)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.531,  -0.207,  -0.474)  ( -0.531,  -0.207,  -0.474)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.114,   0.860,   2.470)  ( -5.114,   0.860,   2.470)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 51       ( -0.316,  -0.193,  -0.505)  ( -0.315,  -0.192,  -0.503)  ( 0.06,  0.02,  0.10)
164:     bond    (  0.716,  -0.298,  -0.826)  (  0.717,  -0.297,  -0.824)  ( 0.10,  0.01,  0.15)
164:     angle   (  1.189,  -5.329,   2.958)  (  1.189,  -5.328,   2.959)  ( 0.03,  0.01,  0.01)
164:     strbnd  ( -0.047,  -0.589,  -0.422)  ( -0.047,  -0.589,  -0.422)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.936,  -0.735,   1.080)  (  0.936,  -0.735,   1.080)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.110,   6.758,  -3.296)  ( -3.110,   6.758,  -3.296)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 52       ( -0.101,  -0.092,  -0.176)  ( -0.100,  -0.090,  -0.175)  ( 0.01,  0.02,  0.01)
164:     bond    (  1.134,  -2.431,   0.852)  (  1.134,  -2.428,   0.852)  ( 0.05,  0.10,  0.03)
164:     angle   ( -3.696,  -1.139,   1.674)  ( -3.696,  -1.138,   1.675)  ( 0.01,  0.01,  0.03)
164:     strbnd  ( -1.209,   1.211,  -0.450)  ( -1.209,   1.211,  -0.450)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.018,   0.060,   0.194)  ( -0.018,   0.060,   0.194)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.689,   2.206,  -2.447)  (  3.689,   2.206,  -2.447)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 53       (  0.304,  -0.091,  -0.474)  (  0.305,  -0.090,  -0.471)  ( 0.04,  0.01,  0.12)
164:     bond    ( -0.341,  -0.134,  -0.569)  ( -0.341,  -0.134,  -0.567)  ( 0.03,  0.00,  0.14)
164:     angle   (  0.912,  -4.148,   0.434)  (  0.913,  -4.147,   0.434)  ( 0.03,  0.01,  0.01)
164:     strbnd  ( -0.362,  -0.327,   0.331)  ( -0.362,  -0.327,   0.331)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.427,  -0.471,  -0.145)  (  0.427,  -0.471,  -0.145)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.333,   4.990,  -0.524)  ( -0.333,   4.990,  -0.524)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 54       (  0.047,   0.327,   0.213)  (  0.048,   0.328,   0.216)  ( 0.00,  0.04,  0.06)
164:     bond    (  0.044,   0.448,  -1.022)  (  0.044,   0.449,  -1.019)  ( 0.00,  0.02,  0.28)
164:     angle   ( -5.073,   4.709,   1.855)  ( -5.072,   4.710,   1.855)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -0.688,  -1.108,  -0.508)  ( -0.688,  -1.108,  -0.508)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.301,   0.513,   0.239)  (  0.301,   0.513,   0.239)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  5.463,  -4.236,  -0.352)  (  5.463,  -4.236,  -0.352)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 55       ( -0.139,  -0.301,   0.325)  ( -0.139,  -0.299,   0.327)  ( 0.01,  0.06,  0.06)
164:     bond    (  0.004,  -0.058,  -0.057)  (  0.004,  -0.056,  -0.056)  ( 0.00,  0.01,  0.01)
164:     angle   ( -0.993,   1.847,  -1.929)  ( -0.992,   1.847,  -1.929)  ( 0.07,  0.01,  0.01)
164:     strbnd  ( -0.720,  -1.271,   0.377)  ( -0.720,  -1.271,   0.377)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.101,   0.125,  -0.120)  (  0.101,   0.125,  -0.120)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.469,  -0.945,   2.055)  (  1.469,  -0.944,   2.055)  ( 0.01,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 56       ( -0.037,  -0.300,  -0.241)  ( -0.036,  -0.299,  -0.238)  ( 0.00,  0.04,  0.06)
164:     bond    (  0.176,   1.777,  -3.219)  (  0.177,   1.777,  -3.216)  ( 0.00,  0.04,  0.08)
164:     angle   ( -1.373,  -1.962,  -1.160)  ( -1.373,  -1.962,  -1.159)  ( 0.05,  0.02,  0.01)
164:     strbnd  ( -0.304,   0.067,   1.171)  ( -0.304,   0.067,   1.171)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.378,   0.531,   0.218)  ( -1.378,   0.532,   0.218)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.841,  -0.714,   2.749)  (  2.842,  -0.714,   2.749)  ( 0.01,  0.00,  0.00)
162:     bond    (-204.493, 105.488, 167.839)  (-204.477, 105.508, 167.867)  ( 0.01,  0.02,  0.02)
162:     angle   (  0.081,   0.023,   0.417)  (  0.086,   0.030,   0.425)  ( 0.04,  0.02,  0.36)
162:     torsion ( -0.086,  -0.075,   0.059)  ( -0.083,  -0.074,   0.061)  ( 0.02,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.694,  22.265,   6.864)  (  2.694,  22.266,   6.864)  ( 0.01,  0.00,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 37       (-153.609,  -0.039, 251.973)  (-153.597,  -0.000, 252.014)  ( 0.01,  0.15,  0.02)
162:     bond    (-164.452,  -0.027, 231.339)  (-164.446,   0.000, 231.370)  ( 0.00,  0.07,  0.01)
162:     angle   ( -0.251,  -0.010,   0.062)  ( -0.248,   0.000,   0.070)  ( 0.09,  0.01,  0.05)
162:     torsion ( -0.095,  -0.001,  -0.029)  ( -0.091,  -0.000,  -0.028)  ( 0.03,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 11.189,  -0.001,  20.601)  ( 11.189,  -0.000,  20.601)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 38       (-201.805, -127.758, -175.256)  (-201.780, -127.730, -175.217)  ( 0.01,  0.02,  0.02)
162:     bond    (-204.493, -105.528, -167.895)  (-204.477, -105.508, -167.867)  ( 0.01,  0.02,  0.02)
162:     angle   (  0.081,  -0.037,  -0.434)  (  0.086,  -0.030,  -0.425)  ( 0.04,  0.03,  0.38)
162:     torsion ( -0.086,   0.072,  -0.062)  ( -0.083,   0.074,  -0.061)  ( 0.02,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.694, -22.266,  -6.865)  (  2.694, -22.266,  -6.864)  ( 0.01,  0.00,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 39       (-201.805, -127.758, 175.179)  (-201.780, -127.730, 175.217)  ( 0.01,  0.02,  0.02)
162:     bond    (-204.493, -105.528, 167.839)  (-204.477, -105.508, 167.867)  ( 0.01,  0.02,  0.02)
162:     angle   (  0.081,  -0.037,   0.417)  (  0.086,  -0.030,   0.425)  ( 0.04,  0.03,  0.36)
162:     torsion ( -0.086,   0.072,   0.059)  ( -0.083,   0.074,   0.061)  ( 0.02,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.694, -22.266,   6.864)  (  2.694, -22.266,   6.864)  ( 0.01,  0.00,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 40       ( 79.113, -45.579, 280.385)  ( 79.148, -45.561, 280.423)  ( 0.04,  0.04,  0.01)
162:     bond    ( 65.096, -61.045, 269.764)  ( 65.121, -61.035, 269.793)  ( 0.04,  0.02,  0.01)
162:     angle   (  0.172,  -0.097,  -0.386)  (  0.180,  -0.092,  -0.379)  ( 0.15,  0.05,  0.28)
162:     torsion (  0.077,   0.128,  -0.078)  (  0.078,   0.131,  -0.077)  ( 0.01,  0.04,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.768,  15.435,  11.087)  ( 13.769,  15.435,  11.087)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 41       (-175.256, -201.805, -127.758)  (-175.217, -201.780, -127.730)  ( 0.02,  0.01,  0.02)
162:     bond    (-167.895, -204.493, -105.528)  (-167.867, -204.477, -105.508)  ( 0.02,  0.01,  0.02)
162:     angle   ( -0.434,   0.081,  -0.037)  ( -0.425,   0.086,  -0.030)  ( 0.38,  0.04,  0.03)
162:     torsion ( -0.062,  -0.086,   0.072)  ( -0.061,  -0.083,   0.074)  ( 0.01,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.865,   2.694, -22.266)  ( -6.864,   2.694, -22.266)  ( 0.01,  0.01,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 42       (-280.461,  79.113,  45.542)  (-280.423,  79.148,  45.561)  ( 0.01,  0.04,  0.04)
162:     bond    (-269.822,  65.096,  61.024)  (-269.793,  65.121,  61.035)  ( 0.01,  0.04,  0.02)
162:     angle   (  0.372,   0.172,   0.087)  (  0.379,   0.180,   0.092)  ( 0.27,  0.15,  0.05)
162:     torsion (  0.076,   0.077,  -0.134)  (  0.077,   0.078,  -0.131)  ( 0.01,  0.01,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-11.087,  13.768, -15.435)  (-11.087,  13.769, -15.435)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 43       (175.179, -201.805, -127.758)  (175.217, -201.780, -127.730)  ( 0.02,  0.01,  0.02)
162:     bond    (167.839, -204.493, -105.528)  (167.867, -204.477, -105.508)  ( 0.02,  0.01,  0.02)
162:     angle   (  0.417,   0.081,  -0.037)  (  0.425,   0.086,  -0.030)  ( 0.36,  0.04,  0.03)
162:     torsion (  0.059,  -0.086,   0.072)  (  0.061,  -0.083,   0.074)  ( 0.01,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.864,   2.694, -22.266)  (  6.864,   2.694, -22.266)  ( 0.01,  0.01,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 44       ( 45.542, 280.385, -79.182)  ( 45.561, 280.423, -79.148)  ( 0.04,  0.01,  0.04)
162:     bond    ( 61.024, 269.764, -65.145)  ( 61.035, 269.793, -65.121)  ( 0.02,  0.01,  0.04)
162:     angle   (  0.087,  -0.386,  -0.189)  (  0.092,  -0.379,  -0.180)  ( 0.05,  0.28,  0.16)
162:     torsion ( -0.134,  -0.078,  -0.079)  ( -0.131,  -0.077,  -0.078)  ( 0.04,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-15.435,  11.087, -13.769)  (-15.435,  11.087, -13.769)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 45       (-45.579, 280.385, -79.182)  (-45.561, 280.423, -79.148)  ( 0.04,  0.01,  0.04)
162:     bond    (-61.045, 269.764, -65.145)  (-61.035, 269.793, -65.121)  ( 0.02,  0.01,  0.04)
162:     angle   ( -0.097,  -0.386,  -0.189)  ( -0.092,  -0.379,  -0.180)  ( 0.05,  0.28,  0.16)
162:     torsion (  0.128,  -0.078,  -0.079)  (  0.131,  -0.077,  -0.078)  ( 0.04,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 15.435,  11.087, -13.769)  ( 15.435,  11.087, -13.769)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 46       ( 45.542, -280.461, -79.182)  ( 45.561, -280.423, -79.148)  ( 0.04,  0.01,  0.04)
162:     bond    ( 61.024, -269.822, -65.145)  ( 61.035, -269.793, -65.121)  ( 0.02,  0.01,  0.04)
162:     angle   (  0.087,   0.372,  -0.189)  (  0.092,   0.379,  -0.180)  ( 0.05,  0.27,  0.16)
162:     torsion ( -0.134,   0.076,  -0.079)  ( -0.131,   0.077,  -0.078)  ( 0.04,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-15.435, -11.087, -13.769)  (-15.435, -11.087, -13.769)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 47       (-127.758, -175.256, 201.756)  (-127.730, -175.217, 201.780)  ( 0.02,  0.02,  0.01)
162:     bond    (-105.528, -167.895, 204.461)  (-105.508, -167.867, 204.477)  ( 0.02,  0.02,  0.01)
162:     angle   ( -0.037,  -0.434,  -0.092)  ( -0.030,  -0.425,  -0.086)  ( 0.03,  0.38,  0.05)
162:     torsion (  0.072,  -0.062,   0.081)  (  0.074,  -0.061,   0.083)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-22.266,  -6.865,  -2.694)  (-22.266,  -6.864,  -2.694)  ( 0.00,  0.01,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 48       (-153.609,  -0.039, -252.054)  (-153.597,   0.000, -252.014)  ( 0.01,  0.15,  0.02)
162:     bond    (-164.452,  -0.027, -231.402)  (-164.446,   0.000, -231.370)  ( 0.00,  0.07,  0.01)
162:     angle   ( -0.251,  -0.010,  -0.078)  ( -0.248,   0.000,  -0.070)  ( 0.09,  0.01,  0.06)
162:     torsion ( -0.095,  -0.001,   0.027)  ( -0.091,   0.000,   0.028)  ( 0.03,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 11.189,  -0.001, -20.602)  ( 11.189,   0.000, -20.601)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q2y_mkr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q2z_mkk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q3j_h02.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q59_240.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q5a_16p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q5g_1fa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q5l_s1t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q5p_241.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q5q_kpv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q5s_nza.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q61_sf1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q6b_hr2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q6c_hr1.sdf
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 13       (312.993, 491.095, -75.433)  (313.079, 491.177, -75.428)  ( 0.03,  0.02,  0.01)
163:     bond    (182.102, 361.399, -39.998)  (182.175, 361.465, -39.996)  ( 0.04,  0.02,  0.00)
163:     angle   (145.132, 114.986, -32.807)  (145.144, 115.001, -32.807)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.088,   1.470,  -3.367)  ( -0.088,   1.470,  -3.364)  ( 0.00,  0.01,  0.08)
163:     vdw     (-14.461,  14.403,   1.413)  (-14.460,  14.404,   1.413)  ( 0.00,  0.00,  0.00)
163:     electro (  0.308,  -1.163,  -0.673)  (  0.308,  -1.163,  -0.673)  ( 0.00,  0.00,  0.00)
163: 14       (-285.814, 354.520,  45.351)  (-285.728, 354.617,  45.355)  ( 0.03,  0.03,  0.01)
163:     bond    (-505.028, 338.173, -11.705)  (-504.956, 338.260, -11.704)  ( 0.01,  0.03,  0.01)
163:     angle   (220.011,  15.873,  61.540)  (220.025,  15.883,  61.539)  ( 0.01,  0.06,  0.00)
163:     torsion ( -1.857,  -2.686,  -4.718)  ( -1.857,  -2.686,  -4.715)  ( 0.00,  0.00,  0.07)
163:     vdw     (  1.060,   3.160,   0.234)  (  1.060,   3.160,   0.234)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 15       ( 24.507, -209.022, -22.911)  ( 24.604, -208.936, -22.906)  ( 0.39,  0.04,  0.02)
163:     bond    (156.762, -155.422, -28.130)  (156.846, -155.348, -28.128)  ( 0.05,  0.05,  0.01)
163:     angle   (-129.413, -58.792,  -1.964)  (-129.401, -58.781,  -1.965)  ( 0.01,  0.02,  0.02)
163:     torsion ( -1.764,  -0.172,   6.998)  ( -1.763,  -0.172,   7.001)  ( 0.00,  0.00,  0.05)
163:     vdw     ( -1.078,   5.364,   0.186)  ( -1.078,   5.364,   0.186)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 16       (-51.881, -107.783,  -4.907)  (-51.801, -107.693,  -4.901)  ( 0.16,  0.08,  0.12)
163:     bond    ( 22.023, -118.566, -16.321)  ( 22.092, -118.490, -16.319)  ( 0.31,  0.06,  0.01)
163:     angle   (-70.752,   8.239,   6.612)  (-70.740,   8.252,   6.613)  ( 0.02,  0.15,  0.00)
163:     torsion (  0.535,  -0.313,   3.768)  (  0.535,  -0.313,   3.771)  ( 0.00,  0.00,  0.08)
163:     vdw     ( -4.438,   2.873,   2.399)  ( -4.437,   2.873,   2.399)  ( 0.00,  0.01,  0.00)
163:     electro (  0.749,  -0.015,  -1.365)  (  0.749,  -0.015,  -1.365)  ( 0.00,  0.00,  0.00)
163: 17       (-18.930, 107.515,  14.333)  (-18.855, 107.610,  14.339)  ( 0.39,  0.09,  0.04)
163:     bond    (-22.609, 136.062,  16.568)  (-22.547, 136.145,  16.570)  ( 0.27,  0.06,  0.01)
163:     angle   ( 10.531, -26.073,  -5.363)  ( 10.544, -26.061,  -5.363)  ( 0.12,  0.05,  0.01)
163:     torsion (  0.544,  -0.373,   3.400)  (  0.544,  -0.373,   3.403)  ( 0.00,  0.00,  0.09)
163:     vdw     ( -7.858,  -2.132,   0.339)  ( -7.858,  -2.132,   0.339)  ( 0.00,  0.00,  0.00)
163:     electro (  0.462,   0.030,  -0.611)  (  0.462,   0.030,  -0.611)  ( 0.00,  0.00,  0.00)
163: 18       (-65.774, -68.811,  -0.702)  (-65.676, -68.740,  -0.697)  ( 0.15,  0.10,  0.31)
163:     bond    (-91.259, -79.239,   0.226)  (-91.173, -79.180,   0.227)  ( 0.09,  0.07,  0.02)
163:     angle   ( 26.073,  13.883,  -0.908)  ( 26.086,  13.895,  -0.908)  ( 0.05,  0.09,  0.02)
163:     torsion (  0.013,  -0.002,   0.509)  (  0.013,  -0.002,   0.512)  ( 0.00,  0.00,  0.16)
163:     vdw     ( -0.640,  -4.484,  -0.380)  ( -0.640,  -4.484,  -0.380)  ( 0.00,  0.00,  0.00)
163:     electro (  0.039,   1.031,  -0.148)  (  0.039,   1.031,  -0.148)  ( 0.00,  0.00,  0.00)
163: 19       ( 85.150,  81.337,   1.290)  ( 85.231,  81.426,   1.294)  ( 0.10,  0.11,  0.30)
163:     bond    (131.843,  64.348,  -6.215)  (131.912,  64.425,  -6.214)  ( 0.05,  0.12,  0.01)
163:     angle   (-51.578,  20.309,   7.548)  (-51.566,  20.321,   7.548)  ( 0.02,  0.06,  0.00)
163:     torsion (  0.198,  -0.086,   0.969)  (  0.198,  -0.086,   0.972)  ( 0.00,  0.00,  0.30)
163:     vdw     (  5.356,  -3.308,  -0.917)  (  5.356,  -3.308,  -0.917)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.670,   0.074,  -0.094)  ( -0.670,   0.074,  -0.094)  ( 0.00,  0.00,  0.00)
163: 20       (-68.176,  83.937,  12.040)  (-68.102,  84.034,  12.046)  ( 0.11,  0.12,  0.05)
163:     bond    (-174.589, 125.582,  27.601)  (-174.527, 125.666,  27.603)  ( 0.04,  0.07,  0.01)
163:     angle   (103.136, -36.313, -15.162)  (103.148, -36.301, -15.162)  ( 0.01,  0.03,  0.00)
163:     torsion (  0.377,   0.326,   1.382)  (  0.377,   0.326,   1.386)  ( 0.00,  0.00,  0.23)
163:     vdw     (  3.373,  -6.111,  -1.706)  (  3.373,  -6.111,  -1.706)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.473,   0.454,  -0.075)  ( -0.473,   0.454,  -0.075)  ( 0.00,  0.00,  0.00)
163: 21       (-59.411, -82.492, -73.756)  (-59.364, -82.442, -73.714)  ( 0.08,  0.06,  0.06)
163:     bond    ( 12.624, -154.571,  15.639)  ( 12.658, -154.531,  15.674)  ( 0.27,  0.03,  0.22)
163:     angle   (-67.098,  69.417, -105.866)  (-67.085,  69.427, -105.858)  ( 0.02,  0.01,  0.01)
163:     torsion ( -4.653,   3.381,  16.257)  ( -4.653,   3.382,  16.258)  ( 0.01,  0.01,  0.00)
163:     vdw     ( -0.284,  -0.720,   0.213)  ( -0.284,  -0.720,   0.213)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 22       (-89.330,  45.460,  51.211)  (-89.280,  45.507,  51.260)  ( 0.05,  0.10,  0.10)
163:     bond    ( 12.839,  22.573,   0.989)  ( 12.876,  22.608,   1.026)  ( 0.29,  0.15,  3.63)
163:     angle   (-100.179,  23.945,  45.961)  (-100.167,  23.957,  45.974)  ( 0.01,  0.05,  0.03)
163:     torsion (  1.924,  -0.079,   2.304)  (  1.924,  -0.078,   2.305)  ( 0.01,  0.00,  0.01)
163:     vdw     ( -3.913,  -0.979,   1.956)  ( -3.913,  -0.979,   1.956)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 23       ( 89.639,  97.728, -21.522)  ( 89.689,  97.776, -21.473)  ( 0.06,  0.05,  0.23)
163:     bond    (  2.818,  34.692,   2.637)  (  2.854,  34.728,   2.674)  ( 1.27,  0.10,  1.40)
163:     angle   ( 88.780,  56.032, -24.887)  ( 88.794,  56.044, -24.875)  ( 0.02,  0.02,  0.04)
163:     torsion (  2.091,  -0.939,   5.736)  (  2.091,  -0.939,   5.736)  ( 0.01,  0.02,  0.01)
163:     vdw     ( -4.050,   7.943,  -5.008)  ( -4.050,   7.943,  -5.008)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 24       (-1361.064, -716.503,  54.666)  (-1361.020, -716.452,  54.716)  ( 0.00,  0.01,  0.09)
163:     bond    (-1327.632, -815.920,  90.720)  (-1327.597, -815.884,  90.763)  ( 0.00,  0.00,  0.05)
163:     angle   (-37.784, 107.786, -38.227)  (-37.775, 107.801, -38.220)  ( 0.02,  0.01,  0.02)
163:     torsion ( -0.124,  -0.490,  -1.187)  ( -0.124,  -0.490,  -1.187)  ( 0.00,  0.01,  0.07)
163:     vdw     (  4.476,  -7.879,   3.360)  (  4.476,  -7.878,   3.360)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 25       (-43.642, -107.862,  17.641)  (-43.595, -107.812,  17.687)  ( 0.11,  0.05,  0.26)
163:     bond    (-40.433, -20.011,   4.163)  (-40.396, -19.976,   4.199)  ( 0.09,  0.17,  0.87)
163:     angle   (-20.506, -107.609,  15.774)  (-20.497, -107.595,  15.782)  ( 0.05,  0.01,  0.05)
163:     torsion (  1.314,  -4.542,   0.958)  (  1.314,  -4.542,   0.959)  ( 0.01,  0.01,  0.07)
163:     vdw     ( 15.984,  24.300,  -3.254)  ( 15.984,  24.300,  -3.254)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 26       ( 21.669,  39.887,  -4.938)  ( 21.712,  39.934,  -4.892)  ( 0.20,  0.12,  0.92)
163:     bond    ( 55.866, -14.525, -25.232)  ( 55.900, -14.489, -25.196)  ( 0.06,  0.25,  0.14)
163:     angle   (-35.142,  55.332,  11.882)  (-35.133,  55.344,  11.892)  ( 0.03,  0.02,  0.08)
163:     torsion (  2.117,   1.420,   7.814)  (  2.117,   1.421,   7.814)  ( 0.01,  0.01,  0.01)
163:     vdw     ( -1.173,  -2.341,   0.598)  ( -1.172,  -2.341,   0.598)  ( 0.02,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 27       (-47.756, -72.759,  -8.387)  (-47.708, -72.711,  -8.342)  ( 0.10,  0.07,  0.54)
163:     bond    (-26.888,  10.352,  -0.511)  (-26.850,  10.387,  -0.476)  ( 0.14,  0.34,  1.83)
163:     angle   (-20.883, -88.530, -20.258)  (-20.873, -88.517, -20.249)  ( 0.05,  0.02,  0.04)
163:     torsion ( -3.007,   3.318,   9.853)  ( -3.006,   3.319,   9.853)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q6j_a48.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q6m_p34.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q6n_1ci.sdf
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 57       (  0.041,   0.148,  -0.296)  (  0.041,   0.150,  -0.294)  ( 0.00,  0.03,  0.06)
164:     bond    ( -0.135,   2.007,   2.146)  ( -0.135,   2.009,   2.147)  ( 0.00,  0.08,  0.08)
164:     angle   (  0.451,  -0.692,   0.675)  (  0.452,  -0.692,   0.675)  ( 0.03,  0.02,  0.02)
164:     strbnd  ( -0.177,  -0.030,  -0.939)  ( -0.177,  -0.030,  -0.939)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.075,  -0.300,   0.213)  ( -1.075,  -0.300,   0.213)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.976,  -0.838,  -2.392)  (  0.976,  -0.838,  -2.392)  ( 0.02,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 58       ( -0.254,   0.017,  -0.064)  ( -0.254,   0.019,  -0.062)  ( 0.02,  0.00,  0.02)
164:     bond    ( -0.040,  -1.500,   1.928)  ( -0.040,  -1.499,   1.930)  ( 0.00,  0.08,  0.11)
164:     angle   ( -1.136,   1.312,   0.995)  ( -1.135,   1.312,   0.995)  ( 0.05,  0.03,  0.02)
164:     strbnd  (  0.280,  -0.457,  -0.574)  (  0.280,  -0.457,  -0.574)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.158,   0.214,   0.170)  (  0.158,   0.214,   0.170)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.484,   0.449,  -2.583)  (  0.484,   0.449,  -2.583)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 59       ( -0.039,   0.371,   0.524)  ( -0.039,   0.373,   0.526)  ( 0.00,  0.07,  0.11)
164:     bond    (  0.250,   2.246,  -2.453)  (  0.250,   2.247,  -2.451)  ( 0.00,  0.07,  0.07)
164:     angle   ( -0.227,   0.092,   0.062)  ( -0.226,   0.092,   0.062)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( -0.193,  -0.135,   1.231)  ( -0.193,  -0.135,   1.231)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.564,   2.085,   1.969)  (  0.564,   2.085,   1.969)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.433,  -3.917,  -0.285)  ( -0.433,  -3.917,  -0.285)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 60       ( -0.063,  -0.072,   0.504)  ( -0.062,  -0.071,   0.506)  ( 0.01,  0.01,  0.13)
164:     bond    (  0.260,   1.745,   3.031)  (  0.260,   1.746,   3.033)  ( 0.00,  0.05,  0.08)
164:     angle   (  3.751,  -1.603,   0.601)  (  3.752,  -1.603,   0.601)  ( 0.02,  0.02,  0.01)
164:     strbnd  ( -0.199,  -0.015,  -1.540)  ( -0.199,  -0.015,  -1.540)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.382,   1.853,  -0.948)  ( -1.382,   1.853,  -0.948)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.493,  -2.052,  -0.640)  ( -2.493,  -2.052,  -0.640)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 61       ( -0.281,   0.189,  -0.034)  ( -0.280,   0.192,  -0.033)  ( 0.02,  0.06,  0.00)
164:     bond    (  0.133,  -2.004,   0.580)  (  0.133,  -2.001,   0.581)  ( 0.00,  0.15,  0.02)
164:     angle   (  0.076,  -0.444,  -1.547)  (  0.077,  -0.444,  -1.546)  ( 0.00,  0.00,  0.04)
164:     strbnd  ( -0.121,  -0.013,   0.295)  ( -0.121,  -0.013,   0.295)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.940,   0.033,  -0.103)  (  0.940,   0.033,  -0.103)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.309,   2.616,   0.740)  ( -1.309,   2.616,   0.740)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 62       ( -0.037,   0.359,   0.037)  ( -0.037,   0.362,   0.038)  ( 0.00,  0.10,  0.00)
164:     bond    ( -0.580,   1.889,  -0.905)  ( -0.580,   1.891,  -0.905)  ( 0.01,  0.13,  0.05)
164:     angle   ( -0.273,   0.763,   1.769)  ( -0.273,   0.763,   1.769)  ( 0.01,  0.01,  0.02)
164:     strbnd  ( -0.325,   0.488,   0.279)  ( -0.325,   0.488,   0.279)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.294,   0.792,   0.827)  (  1.294,   0.792,   0.827)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.153,  -3.573,  -1.933)  ( -0.153,  -3.573,  -1.933)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 63       ( -0.297,   0.195,   0.097)  ( -0.296,   0.196,   0.100)  ( 0.03,  0.01,  0.03)
164:     bond    (  0.610,   0.315,   1.633)  (  0.610,   0.315,   1.636)  ( 0.02,  0.00,  0.18)
164:     angle   ( -1.418,   1.386,   0.261)  ( -1.418,   1.387,   0.261)  ( 0.03,  0.03,  0.00)
164:     strbnd  ( -0.282,   0.382,   0.365)  ( -0.282,   0.382,   0.365)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.426,   0.990,  -0.350)  (  0.426,   0.990,  -0.350)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.367,  -2.878,  -1.812)  (  0.367,  -2.878,  -1.812)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 64       (  5.704,  -0.249,   0.138)  (  5.704,  -0.244,   0.139)  ( 0.00,  0.13,  0.01)
164:     bond    (  0.052,   0.524,  -0.141)  (  0.052,   0.529,  -0.141)  ( 0.00,  0.27,  0.01)
164:     angle   (  0.150,  -0.836,  -3.088)  (  0.150,  -0.836,  -3.088)  ( 0.00,  0.00,  0.02)
164:     strbnd  ( -0.049,  -0.575,   0.050)  ( -0.049,  -0.575,   0.050)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.430,  -0.034,   0.030)  (  0.430,  -0.034,   0.030)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.052,   1.173,   1.899)  (  0.052,   1.173,   1.900)  ( 0.00,  0.00,  0.00)
164:     electro (  5.069,  -0.500,   1.387)  (  5.069,  -0.500,   1.387)  ( 0.00,  0.00,  0.00)
164: 65       ( -0.114,   0.570,  -0.149)  ( -0.109,   0.571,  -0.148)  ( 0.06,  0.02,  0.01)
164:     bond    (-17.085,  -2.760,   0.383)  (-17.080,  -2.760,   0.384)  ( 0.03,  0.01,  0.00)
164:     angle   (  0.082,  -0.169,   2.424)  (  0.082,  -0.169,   2.425)  ( 0.00,  0.00,  0.02)
164:     strbnd  (  0.390,   0.135,  -0.958)  (  0.390,   0.135,  -0.958)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.084,   0.524,   0.039)  ( -0.084,   0.524,   0.039)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.216,   1.133,   7.265)  ( -1.216,   1.133,   7.265)  ( 0.00,  0.00,  0.00)
164:     electro ( 17.799,   1.709,  -9.304)  ( 17.799,   1.709,  -9.304)  ( 0.00,  0.00,  0.00)
164: ok 14 # gradients 
164: ok 15 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q6r_sf2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q7q_c2b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q85_973.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q8g_azx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q8i_rdc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q8m_fbp.sdf
164:  1       ( -1.689,  29.086,  12.210)  ( -1.711,  29.002,  12.363)  ( 1.27,  0.29,  1.25)
164:     bond    (-17.707,   8.335,   2.191)  (-17.700,   8.340,   2.193)  ( 0.04,  0.06,  0.09)
164:     angle   ( 17.323,  25.618,  18.944)  ( 17.325,  25.620,  18.945)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -1.493,  -7.945,  -5.133)  ( -1.494,  -7.946,  -5.134)  ( 0.06,  0.01,  0.00)
164:     torsion (  0.601,   2.014,  -3.362)  (  0.601,   2.014,  -3.362)  ( 0.00,  0.01,  0.02)
164:     oop     (  0.117,   0.376,  -0.635)  (  0.088,   0.286,  -0.485)  ( 0.35,  3.38,  9.52)
164:     vdw     ( -0.601,  -0.190,  -0.199)  ( -0.601,  -0.190,  -0.199)  ( 0.00,  0.00,  0.00)
164:     electro (  0.071,   0.878,   0.403)  (  0.071,   0.878,   0.403)  ( 0.00,  0.00,  0.00)
164:  2       (-43.130,  -3.367,  -5.439)  (-43.097,  -3.287,  -5.559)  ( 0.08,  2.36,  2.20)
164:     bond    (-26.717,  -2.707,  -7.585)  (-26.711,  -2.702,  -7.583)  ( 0.02,  0.19,  0.02)
164:     angle   (-14.462,  -4.144,  -5.035)  (-14.460,  -4.143,  -5.035)  ( 0.01,  0.04,  0.01)
164:     strbnd  (  0.308,   7.811,   4.693)  (  0.308,   7.811,   4.693)  ( 0.01,  0.01,  0.01)
164:     torsion ( -0.735,  -2.026,   3.413)  ( -0.735,  -2.026,   3.414)  ( 0.00,  0.02,  0.03)
164:     oop     ( -0.154,  -0.448,   0.744)  ( -0.128,  -0.375,   0.621)  ( 0.40,  3.28,  9.11)
164:     vdw     ( -1.663,  -1.307,  -1.215)  ( -1.663,  -1.307,  -1.215)  ( 0.00,  0.00,  0.00)
164:     electro (  0.292,  -0.546,  -0.454)  (  0.292,  -0.546,  -0.454)  ( 0.00,  0.00,  0.00)
164:  3       ( 26.796,  24.803,  13.755)  ( 26.767,  24.702,  13.933)  ( 0.11,  0.40,  1.30)
164:     bond    ( 32.244,   7.181,  11.384)  ( 32.249,   7.186,  11.386)  ( 0.02,  0.06,  0.02)
164:     angle   ( -9.397,   6.895,   4.311)  ( -9.395,   6.897,   4.311)  ( 0.02,  0.02,  0.02)
164:     strbnd  (  5.047,   6.760,   5.135)  (  5.046,   6.759,   5.135)  ( 0.01,  0.01,  0.00)
164:     torsion (  1.173,   3.527,  -5.707)  (  1.173,   3.527,  -5.706)  ( 0.00,  0.01,  0.01)
164:     oop     (  0.194,   0.561,  -0.910)  (  0.158,   0.454,  -0.735)  ( 0.69,  5.96, 15.93)
164:     vdw     ( -2.822,   0.795,   0.719)  ( -2.822,   0.795,   0.719)  ( 0.00,  0.00,  0.00)
164:     electro (  0.358,  -0.916,  -1.176)  (  0.358,  -0.916,  -1.176)  ( 0.00,  0.00,  0.00)
164:  4       ( 30.208,   3.073,   6.213)  ( 30.219,   3.104,   6.463)  ( 0.04,  1.02,  4.03)
164:     bond    ( 44.923,   3.054,  10.850)  ( 44.929,   3.058,  10.852)  ( 0.01,  0.15,  0.02)
164:     angle   (-11.137,   3.853,   1.631)  (-11.135,   3.855,   1.632)  ( 0.02,  0.05,  0.04)
164:     strbnd  ( -0.803,  -4.122,  -2.305)  ( -0.804,  -4.123,  -2.306)  ( 0.08,  0.01,  0.01)
164:     torsion ( -0.049,  -0.229,  -1.535)  ( -0.049,  -0.229,  -1.535)  ( 0.00,  0.01,  0.05)
164:     oop     ( -0.023,  -0.118,  -0.821)  ( -0.020,  -0.093,  -0.574)  ( 0.01,  0.29, 20.32)
164:     vdw     ( -2.511,   0.309,  -1.489)  ( -2.511,   0.309,  -1.489)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.191,   0.327,  -0.117)  ( -0.191,   0.327,  -0.117)  ( 0.00,  0.00,  0.00)
164:  5       ( -7.948, -76.115, -41.479)  ( -7.959, -76.157, -41.393)  ( 0.13,  0.05,  0.21)
164:     bond    (  8.045, -42.089, -24.804)  (  8.052, -42.083, -24.802)  ( 0.09,  0.01,  0.01)
164:     angle   (-16.828, -30.092, -21.409)  (-16.826, -30.090, -21.409)  ( 0.01,  0.01,  0.00)
164:     strbnd  (  5.512,  -1.560,   0.571)  (  5.511,  -1.560,   0.570)  ( 0.02,  0.01,  0.01)
164:     torsion ( -1.167,  -3.866,   6.122)  ( -1.167,  -3.866,   6.123)  ( 0.00,  0.01,  0.01)
164:     oop     (  0.067,   0.201,  -0.328)  (  0.049,   0.152,  -0.246)  ( 0.12,  0.98,  2.70)
164:     vdw     ( -3.591,   1.489,  -1.515)  ( -3.591,   1.489,  -1.515)  ( 0.00,  0.00,  0.00)
164:     electro (  0.014,  -0.198,  -0.115)  (  0.014,  -0.198,  -0.115)  ( 0.00,  0.00,  0.00)
164:  6       (-30.115,  -5.188,  10.096)  (-30.111,  -5.194,   9.573)  ( 0.01,  0.12,  5.18)
164:     bond    (-46.066,  -5.896,   0.687)  (-46.059,  -5.889,   0.688)  ( 0.01,  0.11,  0.01)
164:     angle   ( 11.582,  -5.904,   1.352)  ( 11.584,  -5.902,   1.352)  ( 0.02,  0.04,  0.01)
164:     strbnd  (  1.321,   5.298,   0.111)  (  1.319,   5.297,   0.111)  ( 0.08,  0.01,  0.00)
164:     torsion (  0.044,   1.140,   6.540)  (  0.044,   1.140,   6.541)  ( 0.00,  0.01,  0.02)
164:     oop     ( -0.012,   0.131,   2.561)  ( -0.015,   0.116,   2.037)  ( 0.00,  0.19, 20.47)
164:     vdw     (  2.802,   0.309,  -0.945)  (  2.802,   0.309,  -0.945)  ( 0.00,  0.00,  0.00)
164:     electro (  0.213,  -0.266,  -0.210)  (  0.213,  -0.266,  -0.210)  ( 0.00,  0.00,  0.00)
164:  7       ( 12.679,  86.994, -19.032)  ( 12.700,  86.952, -19.301)  ( 0.17,  0.05,  1.42)
164:     bond    ( -5.030,  48.598,  -6.009)  ( -5.023,  48.605,  -6.009)  ( 0.14,  0.01,  0.00)
164:     angle   ( 20.610,  38.351,  -5.278)  ( 20.612,  38.353,  -5.277)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -7.020,   1.621,  -1.168)  ( -7.021,   1.621,  -1.168)  ( 0.02,  0.02,  0.01)
164:     torsion (  0.098,  -1.110,  -6.501)  (  0.098,  -1.110,  -6.500)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.002,   0.211,   1.179)  (  0.015,   0.160,   0.909)  ( 0.00,  1.08, 22.95)
164:     vdw     (  4.021,  -0.905,  -1.238)  (  4.021,  -0.905,  -1.238)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.002,   0.227,  -0.017)  ( -0.002,   0.227,  -0.017)  ( 0.00,  0.00,  0.00)
164:  8       ( -0.374, -32.479,   6.496)  ( -0.364, -32.472,   6.450)  ( 0.39,  0.02,  0.71)
164:     bond    ( 17.320,  -9.193,   0.193)  ( 17.327,  -9.187,   0.193)  ( 0.04,  0.07,  0.00)
164:     angle   (-21.343, -31.556,   3.930)  (-21.342, -31.553,   3.930)  ( 0.01,  0.01,  0.00)
164:     strbnd  (  3.117,   8.773,  -0.540)  (  3.116,   8.771,  -0.540)  ( 0.03,  0.01,  0.00)
164:     torsion (  0.062,   0.254,   3.026)  (  0.062,   0.254,   3.027)  ( 0.00,  0.00,  0.04)
164:     oop     ( -0.019,  -0.027,  -0.085)  ( -0.016,  -0.028,  -0.132)  ( 0.00,  0.00,  0.40)
164:     vdw     (  0.599,   0.238,  -0.003)  (  0.599,   0.238,  -0.003)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.111,  -0.968,  -0.025)  ( -0.111,  -0.968,  -0.025)  ( 0.00,  0.00,  0.00)
164:  9       ( 44.803,   3.914,   2.819)  ( 44.806,   3.913,   2.731)  ( 0.01,  0.03,  3.12)
164:     bond    ( 27.504,   4.642,  -1.536)  ( 27.511,   4.648,  -1.536)  ( 0.02,  0.14,  0.00)
164:     angle   ( 15.991,   5.308,  -0.805)  ( 15.993,   5.309,  -0.804)  ( 0.01,  0.04,  0.01)
164:     strbnd  ( -0.547,  -8.870,   0.817)  ( -0.547,  -8.870,   0.817)  ( 0.03,  0.01,  0.00)
164:     torsion (  0.167,   0.437,   4.249)  (  0.167,   0.437,   4.250)  ( 0.00,  0.00,  0.03)
164:     oop     (  0.027,   0.073,   0.647)  (  0.022,   0.064,   0.558)  ( 0.01,  0.07,  5.77)
164:     vdw     (  1.899,   1.622,  -0.325)  (  1.899,   1.622,  -0.325)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.238,   0.703,  -0.227)  ( -0.238,   0.703,  -0.227)  ( 0.00,  0.00,  0.00)
164: 10       (-30.928, -25.769,  -2.929)  (-30.914, -25.703,  -2.397)  ( 0.04,  0.25, 18.16)
164:     bond    (-33.338, -10.219,   2.044)  (-33.333, -10.213,   2.044)  ( 0.02,  0.06,  0.00)
164:     angle   (  5.728,  -6.663,   4.844)  (  5.730,  -6.662,   4.844)  ( 0.04,  0.03,  0.01)
164:     strbnd  ( -5.454,  -7.832,   0.921)  ( -5.455,  -7.833,   0.921)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.215,  -0.970,  -8.075)  ( -0.215,  -0.970,  -8.074)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.036,  -0.302,  -2.716)  ( -0.029,  -0.244,  -2.185)  ( 0.02,  1.75, 19.54)
164:     vdw     (  2.593,  -1.118,   0.786)  (  2.593,  -1.118,   0.786)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.206,   1.335,  -0.734)  ( -0.206,   1.335,  -0.734)  ( 0.00,  0.00,  0.00)
164: 11       (-26.673, -22.301,   4.179)  (-26.670, -22.313,   4.011)  ( 0.01,  0.05,  4.01)
164:     bond    ( -1.917,  -0.727,  -0.074)  ( -1.913,  -0.722,  -0.070)  ( 0.20,  0.32,  0.03)
164:     angle   (-29.136, -26.052,   2.735)  (-29.134, -26.050,   2.736)  ( 0.01,  0.01,  0.05)
164:     strbnd  (  4.010,   7.688,  -1.200)  (  4.009,   7.687,  -1.200)  ( 0.01,  0.02,  0.04)
164:     torsion (  0.015,   0.059,   0.642)  (  0.015,   0.059,   0.642)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.009,   0.064,   0.656)  (  0.007,   0.046,   0.483)  ( 0.00,  0.11, 11.35)
164:     vdw     (  0.354,  -2.969,   0.608)  (  0.354,  -2.969,   0.608)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.008,  -0.365,   0.812)  ( -0.008,  -0.365,   0.812)  ( 0.00,  0.00,  0.00)
164: 12       ( -2.353,   3.616,  -2.204)  ( -2.349,   3.623,  -2.134)  ( 0.16,  0.19,  3.21)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 49       ( 79.113,  45.542, 280.385)  ( 79.148,  45.561, 280.423)  ( 0.04,  0.04,  0.01)
162:     bond    ( 65.096,  61.024, 269.764)  ( 65.121,  61.035, 269.793)  ( 0.04,  0.02,  0.01)
162:     angle   (  0.172,   0.087,  -0.386)  (  0.180,   0.092,  -0.379)  ( 0.15,  0.05,  0.28)
162:     torsion (  0.077,  -0.134,  -0.078)  (  0.078,  -0.131,  -0.077)  ( 0.01,  0.04,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.768, -15.435,  11.087)  ( 13.769, -15.435,  11.087)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 50       (-175.256, 201.756, -127.758)  (-175.217, 201.780, -127.730)  ( 0.02,  0.01,  0.02)
162:     bond    (-167.895, 204.461, -105.528)  (-167.867, 204.477, -105.508)  ( 0.02,  0.01,  0.02)
162:     angle   ( -0.434,  -0.092,  -0.037)  ( -0.425,  -0.086,  -0.030)  ( 0.38,  0.05,  0.03)
162:     torsion ( -0.062,   0.081,   0.072)  ( -0.061,   0.083,   0.074)  ( 0.01,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.865,  -2.694, -22.266)  ( -6.864,  -2.694, -22.266)  ( 0.01,  0.01,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 51       (-45.579, -280.461, -79.182)  (-45.561, -280.423, -79.148)  ( 0.04,  0.01,  0.04)
162:     bond    (-61.045, -269.822, -65.145)  (-61.035, -269.793, -65.121)  ( 0.02,  0.01,  0.04)
162:     angle   ( -0.097,   0.372,  -0.189)  ( -0.092,   0.379,  -0.180)  ( 0.05,  0.27,  0.16)
162:     torsion (  0.128,   0.076,  -0.079)  (  0.131,   0.077,  -0.078)  ( 0.04,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 15.435, -11.087, -13.769)  ( 15.435, -11.087, -13.769)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 52       (127.701, -175.256, 201.756)  (127.730, -175.217, 201.780)  ( 0.02,  0.02,  0.01)
162:     bond    (105.488, -167.895, 204.461)  (105.508, -167.867, 204.477)  ( 0.02,  0.02,  0.01)
162:     angle   (  0.023,  -0.434,  -0.092)  (  0.030,  -0.425,  -0.086)  ( 0.02,  0.38,  0.05)
162:     torsion ( -0.075,  -0.062,   0.081)  ( -0.074,  -0.061,   0.083)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 22.265,  -6.865,  -2.694)  ( 22.266,  -6.864,  -2.694)  ( 0.00,  0.01,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 53       (280.385,  79.113,  45.542)  (280.423,  79.148,  45.561)  ( 0.01,  0.04,  0.04)
162:     bond    (269.764,  65.096,  61.024)  (269.793,  65.121,  61.035)  ( 0.01,  0.04,  0.02)
162:     angle   ( -0.386,   0.172,   0.087)  ( -0.379,   0.180,   0.092)  ( 0.28,  0.15,  0.05)
162:     torsion ( -0.078,   0.077,  -0.134)  ( -0.077,   0.078,  -0.131)  ( 0.01,  0.01,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 11.087,  13.768, -15.435)  ( 11.087,  13.769, -15.435)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 54       ( -0.039, 251.973, 153.584)  (  0.000, 252.014, 153.597)  ( 0.15,  0.02,  0.01)
162:     bond    ( -0.027, 231.339, 164.441)  (  0.000, 231.370, 164.446)  ( 0.07,  0.01,  0.00)
162:     angle   ( -0.010,   0.062,   0.245)  (  0.000,   0.070,   0.248)  ( 0.01,  0.05,  0.08)
162:     torsion ( -0.001,  -0.029,   0.087)  (  0.000,  -0.028,   0.091)  ( 0.00,  0.00,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.001,  20.601, -11.189)  ( -0.000,  20.601, -11.189)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 55       (127.701, 175.179, 201.756)  (127.730, 175.217, 201.780)  ( 0.02,  0.02,  0.01)
162:     bond    (105.488, 167.839, 204.461)  (105.508, 167.867, 204.477)  ( 0.02,  0.02,  0.01)
162:     angle   (  0.023,   0.417,  -0.092)  (  0.030,   0.425,  -0.086)  ( 0.02,  0.36,  0.05)
162:     torsion ( -0.075,   0.059,   0.081)  ( -0.074,   0.061,   0.083)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 22.265,   6.864,  -2.694)  ( 22.266,   6.864,  -2.694)  ( 0.00,  0.01,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 56       (-127.758, 175.179, 201.756)  (-127.730, 175.217, 201.780)  ( 0.02,  0.02,  0.01)
162:     bond    (-105.528, 167.839, 204.461)  (-105.508, 167.867, 204.477)  ( 0.02,  0.02,  0.01)
162:     angle   ( -0.037,   0.417,  -0.092)  ( -0.030,   0.425,  -0.086)  ( 0.03,  0.36,  0.05)
162:     torsion (  0.072,   0.059,   0.081)  (  0.074,   0.061,   0.083)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-22.266,   6.864,  -2.694)  (-22.266,   6.864,  -2.694)  ( 0.00,  0.01,  0.01)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 57       (175.179, 201.756, -127.758)  (175.217, 201.780, -127.730)  ( 0.02,  0.01,  0.02)
162:     bond    (167.839, 204.461, -105.528)  (167.867, 204.477, -105.508)  ( 0.02,  0.01,  0.02)
162:     angle   (  0.417,  -0.092,  -0.037)  (  0.425,  -0.086,  -0.030)  ( 0.36,  0.05,  0.03)
162:     torsion (  0.059,   0.081,   0.072)  (  0.061,   0.083,   0.074)  ( 0.01,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.864,  -2.694, -22.266)  (  6.864,  -2.694, -22.266)  ( 0.01,  0.01,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 58       (-280.461, -79.182,  45.542)  (-280.423, -79.148,  45.561)  ( 0.01,  0.04,  0.04)
162:     bond    (-269.822, -65.145,  61.024)  (-269.793, -65.121,  61.035)  ( 0.01,  0.04,  0.02)
162:     angle   (  0.372,  -0.189,   0.087)  (  0.379,  -0.180,   0.092)  ( 0.27,  0.16,  0.05)
162:     torsion (  0.076,  -0.079,  -0.134)  (  0.077,  -0.078,  -0.131)  ( 0.01,  0.01,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-11.087, -13.769, -15.435)  (-11.087, -13.769, -15.435)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 59       (280.385, -79.182,  45.542)  (280.423, -79.148,  45.561)  ( 0.01,  0.04,  0.04)
162:     bond    (269.764, -65.145,  61.024)  (269.793, -65.121,  61.035)  ( 0.01,  0.04,  0.02)
162:     angle   ( -0.386,  -0.189,   0.087)  ( -0.379,  -0.180,   0.092)  ( 0.28,  0.16,  0.05)
162:     torsion ( -0.078,  -0.079,  -0.134)  ( -0.077,  -0.078,  -0.131)  ( 0.01,  0.01,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 11.087, -13.769, -15.435)  ( 11.087, -13.769, -15.435)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: 60       ( -0.039, -252.054, 153.584)  ( -0.000, -252.014, 153.597)  ( 0.15,  0.02,  0.01)
162:     bond    ( -0.027, -231.402, 164.441)  (  0.000, -231.370, 164.446)  ( 0.07,  0.01,  0.00)
162:     angle   ( -0.010,  -0.078,   0.245)  (  0.000,  -0.070,   0.248)  ( 0.01,  0.06,  0.08)
162:     torsion ( -0.001,   0.027,   0.087)  ( -0.000,   0.028,   0.091)  ( 0.00,  0.00,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.001, -20.602, -11.189)  (  0.000, -20.601, -11.189)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162: ok 18 # gradients 
162: ok 19 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (128.296, -35.573,  -1.888)  (128.330, -35.535,  -1.883)  ( 0.03,  0.11,  0.29)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q8s_l92.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q92_b23.sdf
162:     bond    (218.773, -102.594,   0.838)  (218.799, -102.565,   0.837)  ( 0.01,  0.03,  0.06)
162:     angle   (-68.683, 105.729,   0.647)  (-68.676, 105.737,   0.647)  ( 0.01,  0.01,  0.02)
162:     torsion (  0.038,   0.040,  -3.549)  (  0.038,   0.040,  -3.543)  ( 0.00,  0.00,  0.17)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-20.813, -37.299,   0.127)  (-20.813, -37.298,   0.126)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.019,  -1.448,   0.050)  ( -1.019,  -1.448,   0.050)  ( 0.00,  0.00,  0.00)
162:  2       (281.068, -1188.291, -17.634)  (281.102, -1188.250, -17.626)  ( 0.01,  0.00,  0.04)
162:     bond    (199.175, -1090.331, -15.615)  (199.206, -1090.299, -15.611)  ( 0.02,  0.00,  0.02)
162:     angle   ( 69.460, -67.272,   0.308)  ( 69.464, -67.264,   0.307)  ( 0.00,  0.01,  0.01)
162:     torsion ( -0.023,   0.021,  -1.836)  ( -0.023,   0.021,  -1.832)  ( 0.00,  0.00,  0.22)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 15.333, -37.494,  -0.530)  ( 15.333, -37.493,  -0.530)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.877,   6.785,   0.040)  ( -2.877,   6.785,   0.040)  ( 0.00,  0.00,  0.00)
162:  3       (-95.225,  97.149,   0.483)  (-95.191,  97.186,   0.488)  ( 0.04,  0.04,  0.23)
162:     bond    ( 63.762, 122.448,  -0.384)  ( 63.785, 122.476,  -0.384)  ( 0.04,  0.02,  0.01)
162:     angle   (-186.520, -27.262,   1.747)  (-186.510, -27.252,   1.749)  ( 0.01,  0.03,  0.10)
162:     torsion (  0.007,  -0.009,  -0.836)  (  0.007,  -0.009,  -0.832)  ( 0.00,  0.00,  0.27)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 29.633,   0.508,  -0.018)  ( 29.634,   0.508,  -0.018)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.107,   1.463,  -0.026)  ( -2.107,   1.463,  -0.026)  ( 0.00,  0.00,  0.00)
162:  4       ( 94.737, 157.424,  -0.489)  ( 94.780, 157.473,  -0.485)  ( 0.05,  0.03,  0.19)
162:     bond    (-46.361, -63.712,   0.736)  (-46.328, -63.677,   0.736)  ( 0.07,  0.06,  0.01)
162:     angle   (123.050, 192.290,  -1.188)  (123.061, 192.303,  -1.188)  ( 0.01,  0.01,  0.00)
162:     torsion ( -0.003,  -0.009,   1.181)  ( -0.003,  -0.009,   1.185)  ( 0.00,  0.00,  0.33)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 22.661,  34.033,  -1.182)  ( 22.662,  34.034,  -1.182)  ( 0.00,  0.00,  0.01)
162:     electro ( -4.612,  -5.178,  -0.035)  ( -4.612,  -5.178,  -0.035)  ( 0.00,  0.00,  0.00)
162:  5       ( 50.085,  46.745,  -5.713)  ( 50.097,  46.767,  -5.713)  ( 0.02,  0.05,  0.01)
162:     bond    ( 19.816,  34.187,  -0.459)  ( 19.823,  34.207,  -0.459)  ( 0.03,  0.06,  0.01)
162:     angle   ( -3.956,   2.291,   0.156)  ( -3.952,   2.292,   0.156)  ( 0.08,  0.05,  0.00)
162:     torsion (  0.006,   0.008,   0.847)  (  0.006,   0.008,   0.847)  ( 0.00,  0.00,  0.06)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 36.360,  13.815,  -6.604)  ( 36.362,  13.816,  -6.604)  ( 0.01,  0.01,  0.00)
162:     electro ( -2.141,  -3.556,   0.346)  ( -2.141,  -3.556,   0.346)  ( 0.00,  0.00,  0.00)
162:  6       ( 41.005, -127.450,  -1.432)  ( 41.044, -127.413,  -1.426)  ( 0.10,  0.03,  0.42)
162:     bond    ( 11.187,  -3.409,  -0.560)  ( 11.216,  -3.383,  -0.559)  ( 0.26,  0.74,  0.02)
162:     angle   ( 48.460, -158.897,   1.836)  ( 48.470, -158.886,   1.838)  ( 0.02,  0.01,  0.12)
162:     torsion ( -0.002,  -0.007,  -2.722)  ( -0.002,  -0.007,  -2.718)  ( 0.00,  0.00,  0.13)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-21.313,  35.607,   0.035)  (-21.313,  35.608,   0.035)  ( 0.00,  0.00,  0.00)
162:     electro (  2.674,  -0.745,  -0.021)  (  2.674,  -0.745,  -0.021)  ( 0.00,  0.00,  0.00)
162:  7       (-172.336, 176.366,   1.808)  (-172.289, 176.402,   1.812)  ( 0.03,  0.02,  0.22)
162:     bond    (-39.092, 208.455,   0.645)  (-39.056, 208.480,   0.644)  ( 0.09,  0.01,  0.05)
162:     angle   (-117.591, -37.558,  -0.021)  (-117.580, -37.549,  -0.021)  ( 0.01,  0.03,  0.00)
162:     torsion ( -0.015,  -0.016,   1.697)  ( -0.015,  -0.016,   1.702)  ( 0.00,  0.00,  0.27)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-26.856,   1.037,  -0.590)  (-26.855,   1.037,  -0.590)  ( 0.00,  0.02,  0.00)
162:     electro ( 11.217,   4.449,   0.077)  ( 11.217,   4.449,   0.078)  ( 0.00,  0.00,  0.00)
162:  8       (-71.877,  25.255,  -1.766)  (-71.850,  25.261,  -1.766)  ( 0.04,  0.02,  0.04)
162:     bond    (-48.136,   0.639,  -0.319)  (-48.109,   0.639,  -0.319)  ( 0.06,  0.01,  0.01)
162:     angle   (  0.447,  33.751,   0.218)  (  0.447,  33.755,   0.219)  ( 0.00,  0.01,  0.00)
162:     torsion ( -0.002,   0.001,   0.249)  ( -0.002,   0.001,   0.250)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-18.882, -13.305,  -1.995)  (-18.882, -13.304,  -1.995)  ( 0.00,  0.01,  0.00)
162:     electro ( -5.304,   4.169,   0.081)  ( -5.304,   4.169,   0.081)  ( 0.00,  0.00,  0.00)
162:  9       (107.964,  16.302,   0.120)  (107.998,  16.335,   0.125)  ( 0.03,  0.21,  0.06)
162:     bond    (-114.432, -52.818,  -1.214)  (-114.405, -52.794,  -1.215)  ( 0.02,  0.05,  0.03)
162:     angle   (213.876,  81.450,   1.116)  (213.883,  81.460,   1.118)  ( 0.00,  0.01,  0.23)
162:     torsion ( -0.007,   0.012,   0.300)  ( -0.007,   0.012,   0.303)  ( 0.00,  0.00,  0.09)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.635,  -6.803,  -0.038)  (  4.635,  -6.803,  -0.038)  ( 0.00,  0.00,  0.00)
162:     electro (  3.892,  -5.540,  -0.044)  (  3.892,  -5.540,  -0.044)  ( 0.00,  0.00,  0.00)
162: 10       (-1232.123, 378.660,   7.823)  (-1232.101, 378.688,   7.832)  ( 0.00,  0.01,  0.11)
162:     bond    (-1219.073, 393.320,   6.949)  (-1219.052, 393.348,   6.957)  ( 0.00,  0.01,  0.11)
162:     angle   (  0.014,   0.007,  -0.000)  (  0.014,   0.007,  -0.000)  ( 0.00,  0.00,  0.00)
162:     torsion (  0.013,  -0.025,   1.906)  (  0.013,  -0.025,   1.907)  ( 0.00,  0.00,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-15.447, -14.655,  -1.091)  (-15.447, -14.655,  -1.091)  ( 0.00,  0.00,  0.00)
162:     electro (  2.370,   0.013,   0.059)  (  2.370,   0.013,   0.059)  ( 0.00,  0.00,  0.00)
162: 11       (868.110, 416.293,   5.883)  (868.142, 416.327,   5.888)  ( 0.00,  0.01,  0.09)
162:     bond    (931.068, 534.771,   7.333)  (931.096, 534.801,   7.337)  ( 0.00,  0.01,  0.05)
162:     angle   (-66.254, -120.686,  -1.778)  (-66.250, -120.682,  -1.778)  ( 0.01,  0.00,  0.01)
162:     torsion ( -0.003,  -0.008,   0.240)  ( -0.003,  -0.008,   0.242)  ( 0.00,  0.00,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.363,   1.247,   0.074)  (  3.363,   1.247,   0.074)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.064,   0.969,   0.013)  ( -0.064,   0.969,   0.013)  ( 0.00,  0.00,  0.00)
162: 12       ( 38.119,  -4.461,   4.327)  ( 38.147,  -4.433,   4.353)  ( 0.07,  0.64,  0.60)
162:     bond    ( 43.122,  15.663,   2.939)  ( 43.141,  15.682,   2.958)  ( 0.04,  0.12,  0.64)
162:     angle   ( -3.080,  -2.207,   0.710)  ( -3.071,  -2.198,   0.717)  ( 0.27,  0.41,  0.47)
162:     torsion ( -0.010,  -0.019,   0.925)  ( -0.010,  -0.019,   0.926)  ( 0.00,  0.00,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.869, -18.372,  -0.253)  ( -1.869, -18.372,  -0.253)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.044,   0.475,   0.006)  ( -0.044,   0.475,   0.006)  ( 0.00,  0.00,  0.00)
162: 13       ( -3.814, -21.443,  -0.726)  ( -3.787, -21.414,  -0.700)  ( 0.71,  0.13,  1.87)
162:     bond    (-37.132,  -0.822,  -0.015)  (-37.114,  -0.803,   0.004)  ( 0.05,  1.54,  0.03)
162:     angle   (  8.038,  -2.248,  -1.177)  (  8.046,  -2.239,  -1.170)  ( 0.10,  0.41,  0.57)
162:     torsion (  0.005,   0.002,   0.437)  (  0.005,   0.002,   0.438)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 25.611, -18.535,   0.028)  ( 25.611, -18.535,   0.028)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.336,   0.160,   0.000)  ( -0.336,   0.160,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q93_b21.sdf
164:     bond    ( -1.203,  -0.681,   0.064)  ( -1.200,  -0.680,   0.064)  ( 0.25,  0.07,  0.00)
164:     angle   ( -3.337,   5.858,  -0.289)  ( -3.337,   5.858,  -0.289)  ( 0.00,  0.01,  0.00)
164:     strbnd  (  0.884,  -1.534,   0.070)  (  0.884,  -1.534,   0.070)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.026,  -0.127,  -1.856)  ( -0.026,  -0.127,  -1.856)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.003,  -0.017,  -0.242)  ( -0.002,  -0.012,  -0.171)  ( 0.00,  0.01,  1.70)
164:     vdw     (  0.644,   0.265,  -0.021)  (  0.644,   0.265,  -0.021)  ( 0.00,  0.00,  0.00)
164:     electro (  0.688,  -0.147,   0.070)  (  0.688,  -0.147,   0.070)  ( 0.00,  0.00,  0.00)
164: 13       ( -2.636,  -4.315,  -0.527)  ( -2.633,  -4.310,  -0.502)  ( 0.12,  0.11,  1.28)
164:     bond    ( -1.376,   1.267,  -0.103)  ( -1.374,   1.269,  -0.103)  ( 0.15,  0.14,  0.00)
164:     angle   ( -4.815,  -5.170,   0.545)  ( -4.815,  -5.170,   0.545)  ( 0.01,  0.01,  0.00)
164:     strbnd  (  1.880,   0.883,  -0.174)  (  1.880,   0.883,  -0.174)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.019,  -0.089,  -0.837)  ( -0.019,  -0.089,  -0.837)  ( 0.00,  0.00,  0.03)
164:     oop     ( -0.002,  -0.010,  -0.098)  ( -0.002,  -0.008,  -0.074)  ( 0.00,  0.00,  0.23)
164:     vdw     (  1.159,  -0.292,  -0.017)  (  1.159,  -0.292,  -0.017)  ( 0.00,  0.00,  0.00)
164:     electro (  0.537,  -0.904,   0.158)  (  0.537,  -0.904,   0.158)  ( 0.00,  0.00,  0.00)
164: 14       ( 26.387,  19.947,  15.099)  ( 26.412,  20.010,  15.009)  ( 0.09,  0.32,  0.60)
164:     bond    (  2.000,   0.807,   0.393)  (  2.004,   0.812,   0.397)  ( 0.19,  0.36,  0.17)
164:     angle   ( 29.017,  24.625,  15.667)  ( 29.019,  24.627,  15.669)  ( 0.01,  0.01,  0.01)
164:     strbnd  ( -3.684,  -7.464,  -4.429)  ( -3.685,  -7.465,  -4.430)  ( 0.02,  0.01,  0.02)
164:     torsion ( -0.089,  -0.284,   0.463)  ( -0.089,  -0.284,   0.463)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.074,  -0.220,   0.362)  ( -0.055,  -0.162,   0.267)  ( 0.14,  1.28,  3.46)
164:     vdw     ( -0.663,   2.502,   1.775)  ( -0.663,   2.502,   1.775)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.120,  -0.020,   0.867)  ( -0.120,  -0.020,   0.867)  ( 0.00,  0.00,  0.00)
164: 15       (  2.734,  -4.218,  -1.241)  (  2.755,  -4.158,  -1.336)  ( 0.79,  1.41,  7.69)
164:     bond    (  1.169,   0.545,   0.557)  (  1.172,   0.545,   0.558)  ( 0.23,  0.03,  0.03)
164:     angle   (  3.953,  -5.603,  -2.827)  (  3.953,  -5.602,  -2.827)  ( 0.00,  0.01,  0.00)
164:     strbnd  ( -0.998,   1.310,   0.666)  ( -0.998,   1.310,   0.666)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.049,  -0.169,   0.268)  ( -0.049,  -0.169,   0.269)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.064,  -0.204,   0.334)  ( -0.045,  -0.145,   0.237)  ( 0.12,  1.19,  3.22)
164:     vdw     ( -0.604,  -0.224,  -0.242)  ( -0.604,  -0.224,  -0.242)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.672,   0.127,   0.003)  ( -0.672,   0.127,   0.003)  ( 0.00,  0.00,  0.00)
164: 16       (  2.391,   3.742,   2.202)  (  2.389,   3.731,   2.224)  ( 0.08,  0.30,  0.99)
164:     bond    (  1.377,  -1.119,  -0.400)  (  1.379,  -1.118,  -0.400)  ( 0.16,  0.13,  0.01)
164:     angle   (  4.447,   4.280,   3.375)  (  4.447,   4.280,   3.375)  ( 0.01,  0.01,  0.01)
164:     strbnd  ( -1.774,  -0.686,  -0.825)  ( -1.774,  -0.686,  -0.825)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.054,   0.148,  -0.229)  (  0.054,   0.148,  -0.229)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.018,   0.053,  -0.087)  (  0.013,   0.040,  -0.065)  ( 0.01,  0.07,  0.18)
164:     vdw     ( -1.150,   0.297,  -0.072)  ( -1.149,   0.297,  -0.072)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.582,   0.770,   0.440)  ( -0.582,   0.770,   0.440)  ( 0.00,  0.00,  0.00)
164: 17       ( 12.700,  29.735,  18.160)  ( 12.714,  29.776,  18.099)  ( 0.11,  0.14,  0.34)
164:     bond    ( -3.169,  26.110,  15.008)  ( -3.169,  26.113,  15.009)  ( 0.01,  0.01,  0.01)
164:     angle   ( 14.067,   0.347,   2.366)  ( 14.068,   0.347,   2.366)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( -0.226,   2.694,   1.435)  ( -0.226,   2.694,   1.435)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.187,   0.538,  -0.897)  (  0.187,   0.538,  -0.897)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.055,  -0.172,   0.287)  ( -0.042,  -0.134,   0.224)  ( 0.07,  0.65,  1.81)
164:     vdw     ( -0.563,  -0.467,  -0.562)  ( -0.563,  -0.467,  -0.562)  ( 0.00,  0.00,  0.00)
164:     electro (  2.460,   0.686,   0.523)  (  2.460,   0.686,   0.523)  ( 0.00,  0.00,  0.00)
164: 18       (-16.599, -32.980,  10.375)  (-16.606, -32.943,  10.559)  ( 0.04,  0.11,  1.78)
164:     bond    (  1.321, -29.709,   5.246)  (  1.321, -29.705,   5.247)  ( 0.01,  0.01,  0.01)
164:     angle   (-16.050,  -0.489,   1.274)  (-16.050,  -0.489,   1.274)  ( 0.01,  0.00,  0.00)
164:     strbnd  (  0.072,  -3.233,   0.861)  (  0.072,  -3.233,   0.861)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.052,   0.751,   4.265)  ( -0.052,   0.751,   4.266)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.009,  -0.150,  -0.851)  (  0.001,  -0.118,  -0.667)  ( 0.01,  0.48, 15.66)
164:     vdw     (  0.603,   0.572,  -0.221)  (  0.603,   0.572,  -0.221)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.501,  -0.722,  -0.200)  ( -2.501,  -0.722,  -0.200)  ( 0.00,  0.00,  0.00)
164: 19       ( -9.549, -16.055,  -9.499)  ( -9.547, -16.054,  -9.498)  ( 0.02,  0.01,  0.01)
164:     bond    (  6.549,  -6.489,  -5.236)  (  6.550,  -6.488,  -5.235)  ( 0.02,  0.02,  0.02)
164:     angle   (-15.891, -11.333,  -5.837)  (-15.890, -11.333,  -5.837)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( -1.046,   0.503,   0.436)  ( -1.046,   0.503,   0.436)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.839,   1.264,   1.139)  (  0.839,   1.264,   1.139)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 20       ( -6.872,  -6.628,  -8.449)  ( -6.870,  -6.627,  -8.448)  ( 0.02,  0.01,  0.02)
164:     bond    ( -7.287,   3.445,  -8.054)  ( -7.286,   3.445,  -8.052)  ( 0.02,  0.01,  0.02)
164:     angle   ( -1.156, -10.327,  -3.372)  ( -1.156, -10.326,  -3.372)  ( 0.02,  0.01,  0.01)
164:     strbnd  (  1.415,  -1.060,   1.430)  (  1.415,  -1.060,   1.430)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.156,   1.313,   1.547)  (  0.156,   1.313,   1.547)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 21       ( -5.154, -11.419,  -3.897)  ( -5.153, -11.418,  -3.895)  ( 0.02,  0.01,  0.04)
164:     bond    ( -5.951,  -7.142,   6.246)  ( -5.950,  -7.141,   6.247)  ( 0.02,  0.02,  0.02)
164:     angle   ( -0.744,  -6.990,  -8.698)  ( -0.743,  -6.990,  -8.698)  ( 0.02,  0.00,  0.01)
164:     strbnd  (  1.377,   1.441,  -1.809)  (  1.377,   1.441,  -1.809)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.163,   1.273,   0.365)  (  0.163,   1.273,   0.365)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 22       (  6.707,  14.950,  -4.095)  (  6.709,  14.951,  -4.094)  ( 0.04,  0.00,  0.03)
164:     bond    ( 10.180,   0.038,  -5.182)  ( 10.183,   0.038,  -5.181)  ( 0.02,  0.00,  0.01)
164:     angle   ( -0.643,  16.864,  -1.139)  ( -0.642,  16.864,  -1.139)  ( 0.01,  0.00,  0.03)
164:     strbnd  ( -2.565,   0.430,   1.327)  ( -2.565,   0.430,   1.327)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.266,  -2.382,   0.899)  ( -0.266,  -2.382,   0.899)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 23       (  7.712,   7.044,   4.929)  (  7.712,   7.045,   4.931)  ( 0.01,  0.01,  0.05)
164:     bond    (  2.115,   4.636,   9.930)  (  2.115,   4.637,   9.932)  ( 0.01,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q94_a04.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q95_a05.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q96_a18.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2q9f_c3s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qbp_527.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qbq_4b3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qbr_910.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qbs_024.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qc6_g12.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qcg_5bu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qcm_jw5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qct_561.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qcx_pf1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qdt_i38.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qe2_452.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qe5_617.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qg0_a94.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qh6_ode.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qhn_582.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qhx_fe1.sdf
162: 14       ( -5.268,   4.089,  -1.753)  ( -5.240,   4.116,  -1.727)  ( 0.55,  0.68,  1.47)
162:     bond    ( 18.838, -35.431,  -0.855)  ( 18.857, -35.412,  -0.837)  ( 0.10,  0.05,  1.61)
162:     angle   ( -2.977,   9.335,  -1.958)  ( -2.968,   9.344,  -1.951)  ( 0.30,  0.09,  0.34)
162:     torsion ( -0.005,   0.011,   1.087)  ( -0.005,   0.011,   1.088)  ( 0.00,  0.00,  0.05)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-21.392,  30.685,  -0.028)  (-21.391,  30.686,  -0.028)  ( 0.01,  0.00,  0.00)
162:     electro (  0.268,  -0.512,   0.001)  (  0.268,  -0.512,   0.001)  ( 0.00,  0.00,  0.00)
162: 15       (-13.220,  31.091,   0.684)  (-13.218,  31.106,   0.684)  ( 0.01,  0.05,  0.03)
162:     bond    ( -0.154,  33.589,   0.740)  ( -0.154,  33.604,   0.740)  ( 0.00,  0.04,  0.01)
162:     angle   (-15.890,  -0.071,  -0.069)  (-15.888,  -0.071,  -0.069)  ( 0.01,  0.00,  0.00)
162:     torsion ( -0.000,  -0.001,   0.039)  ( -0.000,  -0.001,   0.039)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.026,  -0.316,   0.002)  (  1.026,  -0.316,   0.002)  ( 0.00,  0.00,  0.00)
162:     electro (  1.799,  -2.110,  -0.028)  (  1.799,  -2.110,  -0.028)  ( 0.00,  0.00,  0.00)
162: 16       ( -1.881,  -8.801,  -0.757)  ( -1.878,  -8.787,  -0.755)  ( 0.13,  0.16,  0.15)
162:     bond    ( -0.134,  -8.107,  -0.342)  ( -0.134,  -8.093,  -0.342)  ( 0.00,  0.17,  0.00)
162:     angle   (  2.859,  -0.034,  -0.321)  (  2.862,  -0.034,  -0.319)  ( 0.09,  0.00,  0.07)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.279,  -0.650,  -0.070)  ( -3.279,  -0.650,  -0.070)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.328,  -0.010,  -0.024)  ( -1.328,  -0.010,  -0.024)  ( 0.00,  0.00,  0.00)
162: 17       ( -4.370,   0.985,   5.557)  ( -4.365,   0.988,   5.567)  ( 0.11,  0.32,  0.19)
162:     bond    ( -2.662,   1.728,   4.686)  ( -2.659,   1.730,   4.695)  ( 0.12,  0.07,  0.21)
162:     angle   (  0.322,   0.016,   0.176)  (  0.323,   0.018,   0.177)  ( 0.06,  0.00,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.867,  -1.505,   0.633)  ( -0.867,  -1.504,   0.633)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.161,   0.746,   0.063)  ( -1.161,   0.746,   0.063)  ( 0.00,  0.00,  0.00)
162: 18       ( -5.504,   1.672,  -8.084)  ( -5.499,   1.676,  -8.074)  ( 0.09,  0.23,  0.12)
162:     bond    ( -3.864,   3.113,  -6.665)  ( -3.861,   3.115,  -6.656)  ( 0.08,  0.06,  0.14)
162:     angle   (  0.665,  -0.087,  -0.428)  (  0.667,  -0.086,  -0.427)  ( 0.13,  0.02,  0.03)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.126,  -2.162,  -0.950)  ( -1.126,  -2.162,  -0.950)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.179,   0.809,  -0.041)  ( -1.179,   0.809,  -0.041)  ( 0.00,  0.00,  0.00)
162: 19       (  2.471,   2.206,  -8.584)  (  2.474,   2.208,  -8.571)  ( 0.15,  0.13,  0.14)
162:     bond    (  2.793,   2.223,  -8.000)  (  2.794,   2.224,  -7.988)  ( 0.05,  0.04,  0.15)
162:     angle   ( -1.138,   0.137,  -0.359)  ( -1.136,   0.139,  -0.359)  ( 0.19,  0.03,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.125,  -0.749,  -0.532)  (  1.125,  -0.748,  -0.532)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.309,   0.594,   0.307)  ( -0.309,   0.594,   0.307)  ( 0.00,  0.00,  0.00)
162: 20       ( 11.893,  -3.594,   3.602)  ( 11.897,  -3.582,   3.605)  ( 0.04,  0.34,  0.07)
162:     bond    (  3.073,  -7.944,   2.047)  (  3.075,  -7.932,   2.047)  ( 0.06,  0.15,  0.04)
162:     angle   ( -4.627,  -1.768,   0.098)  ( -4.625,  -1.767,   0.100)  ( 0.05,  0.02,  0.02)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.975,   6.517,   1.574)  ( 13.975,   6.517,   1.574)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.528,  -0.400,  -0.116)  ( -0.528,  -0.400,  -0.116)  ( 0.00,  0.00,  0.00)
162: 21       (  8.288,   3.291,   8.967)  (  8.291,   3.298,   8.975)  ( 0.05,  0.23,  0.08)
162:     bond    (  3.137,   6.237,   6.237)  (  3.139,   6.244,   6.244)  ( 0.05,  0.10,  0.10)
162:     angle   ( -2.271,   0.849,   0.289)  ( -2.268,   0.850,   0.291)  ( 0.10,  0.10,  0.03)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  8.099,  -4.775,   2.825)  (  8.099,  -4.775,   2.825)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.678,   0.980,  -0.385)  ( -0.678,   0.980,  -0.385)  ( 0.00,  0.00,  0.00)
162: 22       ( -7.209,   8.539,   9.096)  ( -7.199,   8.542,   9.103)  ( 0.13,  0.03,  0.07)
162:     bond    ( -7.592,  -0.446,   5.750)  ( -7.583,  -0.446,   5.755)  ( 0.12,  0.00,  0.09)
162:     angle   (  0.316,  -3.141,   0.173)  (  0.317,  -3.139,   0.174)  ( 0.02,  0.08,  0.02)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.310,  13.218,   3.611)  (  0.310,  13.218,   3.611)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.243,  -1.091,  -0.438)  ( -0.243,  -1.091,  -0.438)  ( 0.00,  0.00,  0.00)
162: 23       (-17.717,  21.345,   8.253)  (-17.709,  21.354,   8.256)  ( 0.04,  0.04,  0.04)
162:     bond    (  6.018,   7.206,   3.106)  (  6.023,   7.213,   3.107)  ( 0.09,  0.10,  0.04)
162:     angle   (  4.963,  -4.166,   0.043)  (  4.965,  -4.165,   0.045)  ( 0.03,  0.03,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-30.269,  18.907,   5.408)  (-30.268,  18.907,   5.408)  ( 0.00,  0.00,  0.00)
162:     electro (  1.571,  -0.601,  -0.303)  (  1.571,  -0.601,  -0.303)  ( 0.00,  0.00,  0.00)
162: 24       ( -1.980,   1.683,  -7.974)  ( -1.977,   1.686,  -7.961)  ( 0.16,  0.17,  0.16)
162:     bond    ( -2.499,   1.642,  -7.703)  ( -2.498,   1.643,  -7.690)  ( 0.05,  0.03,  0.16)
162:     angle   (  0.405,  -0.575,  -0.255)  (  0.407,  -0.573,  -0.255)  ( 0.08,  0.13,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.024,   1.037,  -0.436)  ( -0.024,   1.037,  -0.436)  ( 0.00,  0.00,  0.00)
162:     electro (  0.138,  -0.421,   0.420)  (  0.138,  -0.421,   0.420)  ( 0.00,  0.00,  0.00)
162: ok 20 # gradients 
162: ok 21 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (-22.308, -43.542, -24.843)  (-22.281, -43.516, -24.816)  ( 0.12,  0.06,  0.11)
162:     bond    (-14.531, -30.893,  -8.732)  (-14.514, -30.876,  -8.714)  ( 0.12,  0.06,  0.21)
162:     angle   (  2.512,  -2.285, -10.607)  (  2.522,  -2.276, -10.598)  ( 0.37,  0.38,  0.08)
162:     torsion ( -2.655,  -2.742,  -4.981)  ( -2.654,  -2.742,  -4.981)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -7.525,  -7.528,  -0.566)  ( -7.525,  -7.528,  -0.566)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.109,  -0.093,   0.043)  ( -0.109,  -0.093,   0.043)  ( 0.00,  0.00,  0.00)
162:  2       (-63.836,  37.192,   9.403)  (-63.808,  37.218,   9.429)  ( 0.04,  0.07,  0.28)
162:     bond    (-19.887,  31.641,  -3.832)  (-19.869,  31.659,  -3.814)  ( 0.09,  0.06,  0.46)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qhy_mz1.sdf
163:     vdw     (  3.022,   2.101,   2.529)  (  3.022,   2.101,   2.530)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 28       (-84.354,  30.361, 125.085)  (-84.308,  30.408, 125.129)  ( 0.05,  0.15,  0.04)
163:     bond    (-12.611,  17.684,  62.899)  (-12.576,  17.721,  62.933)  ( 0.28,  0.21,  0.05)
163:     angle   (-69.663,   5.775,  52.412)  (-69.652,   5.785,  52.422)  ( 0.02,  0.16,  0.02)
163:     torsion ( -1.456,   7.503,   9.639)  ( -1.456,   7.503,   9.639)  ( 0.02,  0.00,  0.00)
163:     vdw     ( -0.624,  -0.601,   0.136)  ( -0.624,  -0.601,   0.136)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 29       (178.239,  59.859, -17.444)  (178.282,  59.908, -17.395)  ( 0.02,  0.08,  0.28)
163:     bond    (128.215,  58.142, -25.742)  (128.248,  58.180, -25.705)  ( 0.03,  0.07,  0.14)
163:     angle   ( 48.331,  15.984,  17.772)  ( 48.341,  15.995,  17.783)  ( 0.02,  0.07,  0.07)
163:     torsion ( -3.523,  -9.583,   6.545)  ( -3.523,  -9.583,   6.545)  ( 0.00,  0.00,  0.00)
163:     vdw     (  5.216,  -4.685, -16.019)  (  5.216,  -4.685, -16.019)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 30       (-425.815,  33.516, -847.680)  (-425.779,  33.549, -847.604)  ( 0.01,  0.10,  0.01)
163:     bond    (-248.539, 199.821, -757.719)  (-248.512, 199.849, -757.651)  ( 0.01,  0.01,  0.01)
163:     angle   (-200.524, -157.469, -57.618)  (-200.516, -157.463, -57.611)  ( 0.00,  0.00,  0.01)
163:     torsion (  5.066,  -6.424,   2.469)  (  5.066,  -6.424,   2.469)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 17.443,  -2.235, -30.948)  ( 17.444,  -2.235, -30.947)  ( 0.00,  0.00,  0.00)
163:     electro (  0.739,  -0.178,  -3.864)  (  0.739,  -0.178,  -3.864)  ( 0.00,  0.00,  0.00)
163: 31       ( 89.548, -195.391, 508.761)  ( 89.554, -195.371, 508.809)  ( 0.01,  0.01,  0.01)
163:     bond    (-48.172, -271.651, 450.146)  (-48.169, -271.632, 450.194)  ( 0.01,  0.01,  0.01)
163:     angle   (132.809,  73.117,  58.328)  (132.813,  73.118,  58.328)  ( 0.00,  0.00,  0.00)
163:     torsion (  0.761,  -1.047,  -0.550)  (  0.761,  -1.047,  -0.550)  ( 0.00,  0.00,  0.00)
163:     vdw     (  3.864,   4.131,   0.125)  (  3.864,   4.131,   0.125)  ( 0.00,  0.00,  0.00)
163:     electro (  0.286,   0.059,   0.714)  (  0.286,   0.059,   0.714)  ( 0.00,  0.00,  0.00)
163: 32       (488.893, 102.091,  99.940)  (488.908, 102.091,  99.964)  ( 0.00,  0.00,  0.02)
163:     bond    (211.229,   6.631, 313.253)  (211.237,   6.629, 313.272)  ( 0.00,  0.02,  0.01)
163:     angle   ( 68.266,  79.408, -47.714)  ( 68.268,  79.410, -47.713)  ( 0.00,  0.00,  0.00)
163:     torsion ( -3.055,   4.182,   1.971)  ( -3.055,   4.182,   1.971)  ( 0.00,  0.00,  0.00)
163:     vdw     (212.452,  11.871, -167.570)  (212.458,  11.870, -167.567)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 33       ( 45.088, 208.770, -23.706)  ( 45.090, 208.818, -23.678)  ( 0.01,  0.02,  0.12)
163:     bond    ( 16.304, 200.345,  -7.007)  ( 16.306, 200.392,  -6.985)  ( 0.01,  0.02,  0.31)
163:     angle   ( 41.809,   0.611, -15.434)  ( 41.811,   0.613, -15.429)  ( 0.01,  0.10,  0.04)
163:     torsion (-15.671,   2.926,  -2.202)  (-15.672,   2.926,  -2.202)  ( 0.01,  0.00,  0.00)
163:     vdw     (  5.020,   3.888,   1.339)  (  5.021,   3.888,   1.339)  ( 0.00,  0.00,  0.00)
163:     electro ( -2.375,   0.999,  -0.401)  ( -2.375,   0.999,  -0.401)  ( 0.00,  0.00,  0.00)
163: 34       (355.299,  31.343, -78.600)  (355.346,  31.349, -78.570)  ( 0.01,  0.02,  0.04)
163:     bond    (311.200,  51.966, -29.253)  (311.243,  51.969, -29.228)  ( 0.01,  0.01,  0.09)
163:     angle   ( 33.558,   7.472, -51.143)  ( 33.561,   7.474, -51.139)  ( 0.01,  0.03,  0.01)
163:     torsion (  6.518, -34.470,  -2.904)  (  6.518, -34.469,  -2.904)  ( 0.00,  0.00,  0.00)
163:     vdw     (  1.574,   5.965,   4.845)  (  1.574,   5.965,   4.845)  ( 0.01,  0.00,  0.00)
163:     electro (  2.450,   0.409,  -0.145)  (  2.450,   0.409,  -0.145)  ( 0.00,  0.00,  0.00)
163: 35       ( 13.120,  -4.680,  -3.985)  ( 13.149,  -4.674,  -3.983)  ( 0.22,  0.11,  0.04)
163:     bond    ( 16.867,  -0.230,  -1.803)  ( 16.896,  -0.230,  -1.803)  ( 0.17,  0.00,  0.02)
163:     angle   ( -0.250,  -5.004,  -1.704)  ( -0.250,  -4.999,  -1.703)  ( 0.00,  0.10,  0.03)
163:     torsion ( -0.098,   0.340,  -0.959)  ( -0.098,   0.340,  -0.958)  ( 0.00,  0.00,  0.06)
163:     vdw     ( -2.257,   0.053,   0.249)  ( -2.257,   0.053,   0.249)  ( 0.00,  0.00,  0.00)
163:     electro ( -1.143,   0.162,   0.231)  ( -1.143,   0.162,   0.231)  ( 0.00,  0.00,  0.00)
163: 36       (  0.006, -15.359,  -3.544)  (  0.016, -15.338,  -3.540)  ( 0.01,  0.14,  0.10)
163:     bond    (  7.720, -14.222,  -5.441)  (  7.726, -14.202,  -5.438)  ( 0.08,  0.14,  0.06)
163:     angle   ( -6.523,  -3.314,  -0.610)  ( -6.519,  -3.312,  -0.610)  ( 0.07,  0.03,  0.00)
163:     torsion (  0.113,  -0.467,   1.379)  (  0.113,  -0.467,   1.380)  ( 0.00,  0.00,  0.05)
163:     vdw     ( -1.472,   1.894,   0.739)  ( -1.472,   1.894,   0.739)  ( 0.01,  0.00,  0.00)
163:     electro (  0.168,   0.749,   0.389)  (  0.168,   0.749,   0.389)  ( 0.00,  0.00,  0.00)
163: 37       ( -1.645, -23.765, -11.107)  ( -1.633, -23.744, -11.104)  ( 0.76,  0.09,  0.02)
163:     bond    ( -8.146, -13.043,  -3.758)  ( -8.138, -13.023,  -3.756)  ( 0.09,  0.15,  0.05)
163:     angle   ( 22.101, -12.124,  -5.860)  ( 22.105, -12.123,  -5.860)  ( 0.02,  0.01,  0.01)
163:     torsion (  0.229,  -0.865,   2.502)  (  0.229,  -0.865,   2.503)  ( 0.00,  0.01,  0.03)
163:     vdw     (-17.378,   2.284,  -4.976)  (-17.377,   2.284,  -4.976)  ( 0.00,  0.01,  0.00)
163:     electro (  1.549,  -0.016,   0.985)  (  1.549,  -0.016,   0.985)  ( 0.00,  0.00,  0.00)
163: 38       (  8.408,  13.534,   1.843)  (  8.418,  13.556,   1.846)  ( 0.13,  0.16,  0.20)
163:     bond    ( -4.650,   8.801,   3.291)  ( -4.644,   8.822,   3.294)  ( 0.12,  0.23,  0.09)
163:     angle   ( 17.462,   8.623,   1.530)  ( 17.466,   8.624,   1.530)  ( 0.03,  0.01,  0.00)
163:     torsion ( -0.168,   0.870,  -2.570)  ( -0.168,   0.870,  -2.569)  ( 0.00,  0.01,  0.03)
163:     vdw     ( -3.024,  -4.212,  -0.222)  ( -3.024,  -4.212,  -0.222)  ( 0.01,  0.00,  0.00)
163:     electro ( -1.211,  -0.549,  -0.187)  ( -1.211,  -0.549,  -0.187)  ( 0.00,  0.00,  0.00)
163: 39       ( 10.765,   9.918,  -1.617)  ( 10.778,   9.939,  -1.615)  ( 0.12,  0.21,  0.15)
163:     bond    (  8.882,  13.515,   3.463)  (  8.890,  13.534,   3.465)  ( 0.09,  0.14,  0.04)
163:     angle   (  3.987,  -2.305,  -1.242)  (  3.991,  -2.304,  -1.242)  ( 0.10,  0.06,  0.03)
163:     torsion ( -0.368,   1.081,  -3.282)  ( -0.368,   1.082,  -3.282)  ( 0.00,  0.01,  0.02)
163:     vdw     ( -1.312,  -1.866,  -0.453)  ( -1.312,  -1.866,  -0.453)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.425,  -0.508,  -0.102)  ( -0.425,  -0.508,  -0.102)  ( 0.00,  0.00,  0.00)
163: 40       (-19.395, 112.685, -25.588)  (-19.386, 112.700, -25.575)  ( 0.05,  0.01,  0.05)
163:     bond    (-28.621,  47.221,  42.215)  (-28.616,  47.235,  42.226)  ( 0.02,  0.03,  0.03)
163:     angle   ( -8.824,   0.753,  -6.820)  ( -8.821,   0.753,  -6.820)  ( 0.04,  0.03,  0.01)
163:     torsion ( 17.980,  42.007, -34.806)  ( 17.980,  42.007, -34.805)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.332,  20.683, -26.047)  ( -2.331,  20.683, -26.047)  ( 0.02,  0.00,  0.00)
163:     electro (  2.402,   2.022,  -0.130)  (  2.402,   2.022,  -0.130)  ( 0.00,  0.00,  0.00)
163: 41       (-69.377, -53.313,  26.652)  (-69.353, -53.296,  26.653)  ( 0.03,  0.03,  0.00)
163:     bond    ( 32.496, -18.726,   5.332)  ( 32.517, -18.719,   5.332)  ( 0.07,  0.04,  0.01)
163:     angle   (-53.205, -90.112,   8.124)  (-53.204, -90.108,   8.124)  ( 0.00,  0.01,  0.00)
163:     torsion (  1.029,  -1.765, -12.473)  (  1.029,  -1.765, -12.473)  ( 0.00,  0.00,  0.01)
163:     vdw     (-49.387,  55.775,  24.800)  (-49.386,  55.780,  24.800)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.309,   1.516,   0.870)  ( -0.309,   1.516,   0.870)  ( 0.00,  0.00,  0.00)
163: 42       ( 19.714,  21.792,  18.497)  ( 19.735,  21.805,  18.499)  ( 0.11,  0.06,  0.01)
163:     bond    (-10.363,   6.911,   2.336)  (-10.343,   6.920,   2.337)  ( 0.19,  0.12,  0.04)
163:     angle   ( 26.400,  39.285,   0.517)  ( 26.401,  39.289,   0.517)  ( 0.01,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qhz_mz2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qi0_mz3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qi1_mz4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qi3_mz5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qi4_mz6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qi5_mz7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qi6_mz8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qi7_mz9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qia_u20.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qie_8cs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qiq_cyv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qiv_u21.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qje_bad.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qjm_cs2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qjr_pzf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ql6_tiz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qlq_sr2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qmy_ad1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qn1_0as.sdf
162:     angle   (-21.218,   1.942,  26.416)  (-21.210,   1.950,  26.425)  ( 0.04,  0.44,  0.03)
162:     torsion ( -4.470,   2.457,   2.254)  ( -4.470,   2.457,   2.255)  ( 0.00,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-17.943,   1.510, -15.520)  (-17.943,   1.511, -15.520)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.317,  -0.358,   0.084)  ( -0.317,  -0.358,   0.084)  ( 0.00,  0.00,  0.00)
162:  3       ( 24.879,  35.511, -41.054)  ( 24.906,  35.538, -41.027)  ( 0.11,  0.08,  0.07)
162:     bond    ( 43.021,  -1.284,  21.164)  ( 43.039,  -1.266,  21.182)  ( 0.04,  1.41,  0.09)
162:     angle   ( -8.872,  26.134, -47.437)  ( -8.864,  26.143, -47.429)  ( 0.10,  0.03,  0.02)
162:     torsion ( -0.191,   2.872,  -3.368)  ( -0.191,   2.872,  -3.368)  ( 0.00,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -9.262,   7.953, -11.544)  ( -9.262,   7.953, -11.543)  ( 0.00,  0.01,  0.00)
162:     electro (  0.184,  -0.164,   0.131)  (  0.184,  -0.164,   0.131)  ( 0.00,  0.00,  0.00)
162:  4       (  2.828, -39.628,  46.776)  (  2.857, -39.600,  46.801)  ( 1.00,  0.07,  0.06)
162:     bond    ( 33.477,  -2.989,  17.076)  ( 33.496,  -2.970,  17.094)  ( 0.06,  0.61,  0.11)
162:     angle   (-26.689, -10.403,  39.611)  (-26.679, -10.394,  39.618)  ( 0.03,  0.09,  0.02)
162:     torsion ( -0.440,  -5.890, -14.995)  ( -0.440,  -5.890, -14.994)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.482, -20.368,   5.117)  ( -3.482, -20.368,   5.117)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.038,   0.022,  -0.034)  ( -0.038,   0.022,  -0.034)  ( 0.00,  0.00,  0.00)
162:  5       ( 73.049,   5.536, -12.631)  ( 73.088,   5.567, -12.622)  ( 0.05,  0.57,  0.07)
162:     bond    ( 36.993,  27.428,  -1.146)  ( 37.023,  27.450,  -1.144)  ( 0.08,  0.08,  0.13)
162:     angle   ( 33.662,  -7.390, -34.834)  ( 33.670,  -7.382, -34.831)  ( 0.02,  0.12,  0.01)
162:     torsion (  1.264,   4.163,  20.949)  (  1.264,   4.163,  20.953)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.115, -19.347,   2.757)  (  1.116, -19.347,   2.757)  ( 0.05,  0.00,  0.00)
162:     electro (  0.015,   0.682,  -0.357)  (  0.015,   0.682,  -0.357)  ( 0.00,  0.00,  0.00)
162:  6       (-77.127,  -1.074,   3.759)  (-77.090,  -1.042,   3.766)  ( 0.05,  2.99,  0.21)
162:     bond    (-78.710,  18.207,  -6.480)  (-78.680,  18.229,  -6.479)  ( 0.04,  0.12,  0.02)
162:     angle   ( -4.204,   3.671,   5.342)  ( -4.197,   3.680,   5.343)  ( 0.17,  0.25,  0.03)
162:     torsion ( -0.397,  -2.218,  -2.463)  ( -0.397,  -2.218,  -2.458)  ( 0.00,  0.01,  0.20)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.356, -21.178,   7.702)  (  6.356, -21.178,   7.702)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.173,   0.445,  -0.341)  ( -0.173,   0.445,  -0.341)  ( 0.00,  0.00,  0.00)
162:  7       ( 49.490, -26.176,  -7.776)  ( 49.518, -26.148,  -7.751)  ( 0.06,  0.11,  0.33)
162:     bond    ( 18.673,  16.713,   0.892)  ( 18.691,  16.732,   0.910)  ( 0.10,  0.11,  1.63)
162:     angle   ( 26.683, -27.526,  -4.329)  ( 26.692, -27.516,  -4.322)  ( 0.03,  0.03,  0.15)
162:     torsion (  0.886,  -2.319, -10.236)  (  0.886,  -2.319, -10.235)  ( 0.01,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.288, -13.122,   6.005)  (  3.289, -13.121,   6.005)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.039,   0.078,  -0.109)  ( -0.039,   0.078,  -0.109)  ( 0.00,  0.00,  0.00)
162:  8       (-35.192,  12.822,  53.744)  (-35.165,  12.849,  53.771)  ( 0.08,  0.22,  0.05)
162:     bond    (-20.989,   9.111, -28.842)  (-20.972,   9.128, -28.824)  ( 0.08,  0.19,  0.06)
162:     angle   (-25.736,  17.614,  80.518)  (-25.726,  17.623,  80.527)  ( 0.04,  0.05,  0.01)
162:     torsion ( -2.011,  -0.575,   3.948)  ( -2.011,  -0.575,   3.948)  ( 0.01,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.550, -13.548,  -1.907)  ( 13.551, -13.547,  -1.907)  ( 0.00,  0.00,  0.01)
162:     electro ( -0.006,   0.221,   0.027)  ( -0.006,   0.221,   0.027)  ( 0.00,  0.00,  0.00)
162:  9       (  9.873,  27.136, -47.477)  (  9.901,  27.163, -47.450)  ( 0.29,  0.10,  0.06)
162:     bond    (-30.658,  30.523, -29.944)  (-30.639,  30.540, -29.927)  ( 0.06,  0.06,  0.06)
162:     angle   ( 25.853,   9.550, -23.593)  ( 25.863,   9.560, -23.584)  ( 0.04,  0.10,  0.04)
162:     torsion ( -0.469,  -3.044,  -4.166)  ( -0.469,  -3.044,  -4.166)  ( 0.01,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 15.131, -10.099,  10.271)  ( 15.132, -10.099,  10.271)  ( 0.00,  0.00,  0.00)
162:     electro (  0.016,   0.206,  -0.044)  (  0.016,   0.206,  -0.044)  ( 0.00,  0.00,  0.00)
162: 10       ( 28.019, -40.005,  31.486)  ( 28.044, -39.978,  31.512)  ( 0.09,  0.07,  0.09)
162:     bond    ( 34.324,  10.400,  10.514)  ( 34.340,  10.419,  10.532)  ( 0.05,  0.18,  0.18)
162:     angle   (-23.006, -37.357,  30.359)  (-22.997, -37.349,  30.367)  ( 0.04,  0.02,  0.03)
162:     torsion (  0.490,  -3.580,  -3.486)  (  0.490,  -3.580,  -3.486)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 16.479,  -9.577,  -5.866)  ( 16.479,  -9.577,  -5.866)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.268,   0.108,  -0.035)  ( -0.268,   0.108,  -0.035)  ( 0.00,  0.00,  0.00)
162: 11       ( 42.944,  -3.551,   3.573)  ( 42.971,  -3.526,   3.600)  ( 0.06,  0.72,  0.75)
162:     bond    (-22.879,  -5.120, -14.558)  (-22.860,  -5.103, -14.539)  ( 0.08,  0.33,  0.13)
162:     angle   ( 61.432,  15.137,  19.736)  ( 61.441,  15.145,  19.744)  ( 0.01,  0.06,  0.04)
162:     torsion ( -0.381,   1.027,   1.544)  ( -0.381,   1.027,   1.544)  ( 0.00,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.982, -14.918,  -3.077)  (  4.982, -14.917,  -3.077)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.210,   0.322,  -0.072)  ( -0.210,   0.322,  -0.072)  ( 0.00,  0.00,  0.00)
162: 12       (-30.929,  -4.215, -23.764)  (-30.903,  -4.185, -23.738)  ( 0.09,  0.70,  0.11)
162:     bond    (-66.490,  82.822,  23.511)  (-66.473,  82.841,  23.529)  ( 0.03,  0.02,  0.08)
162:     angle   ( 28.483, -89.468, -54.042)  ( 28.492, -89.458, -54.035)  ( 0.03,  0.01,  0.01)
162:     torsion (  1.674,   3.980,   1.439)  (  1.674,   3.980,   1.439)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.582,  -1.625,   5.322)  (  5.582,  -1.625,   5.322)  ( 0.00,  0.01,  0.00)
162:     electro ( -0.178,   0.077,   0.006)  ( -0.178,   0.077,   0.006)  ( 0.00,  0.00,  0.00)
162: 13       (-14.876,  12.813,  29.139)  (-14.849,  12.841,  29.164)  ( 0.19,  0.21,  0.09)
162:     bond    ( 64.127, -112.790,  27.092)  ( 64.145, -112.772,  27.110)  ( 0.03,  0.02,  0.07)
162:     angle   (-82.099, 120.864,   8.835)  (-82.090, 120.873,   8.842)  ( 0.01,  0.01,  0.08)
162:     torsion ( -0.625,   3.574,  -2.102)  ( -0.625,   3.574,  -2.101)  ( 0.01,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.773,   1.285,  -4.822)  (  3.773,   1.285,  -4.822)  ( 0.00,  0.01,  0.00)
162:     electro ( -0.051,  -0.120,   0.136)  ( -0.051,  -0.120,   0.136)  ( 0.00,  0.00,  0.00)
162: 14       (  2.250, -33.695,   6.772)  (  2.278, -33.668,   6.798)  ( 1.21,  0.08,  0.39)
162:     bond    (-77.710,  60.285, -35.054)  (-77.692,  60.303, -35.036)  ( 0.02,  0.03,  0.05)
162:     angle   ( 75.670, -103.322,  38.094)  ( 75.679, -103.314,  38.101)  ( 0.01,  0.01,  0.02)
162:     torsion (  1.249,  -0.162,   1.416)  (  1.249,  -0.161,   1.417)  ( 0.01,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.027,   9.584,   2.523)  (  3.027,   9.584,   2.523)  ( 0.00,  0.00,  0.01)
162:     electro (  0.015,  -0.080,  -0.207)  (  0.015,  -0.080,  -0.207)  ( 0.00,  0.00,  0.00)
162: 15       (-39.902,  19.803,  -0.379)  (-39.875,  19.830,  -0.353)  ( 0.07,  0.14,  0.99)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qn2_0ma.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qn8_nby.sdf
163:     torsion ( -1.585,   1.240, -10.682)  ( -1.584,   1.240, -10.682)  ( 0.00,  0.00,  0.01)
163:     vdw     (  5.474, -26.880,  23.842)  (  5.474, -26.879,  23.843)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.212,   1.236,   2.483)  ( -0.212,   1.236,   2.483)  ( 0.00,  0.00,  0.00)
163: 43       (  9.715,   8.359,   2.930)  (  9.740,   8.368,   2.931)  ( 0.26,  0.11,  0.03)
163:     bond    ( 14.301,   6.147,  -0.831)  ( 14.325,   6.152,  -0.830)  ( 0.17,  0.07,  0.01)
163:     angle   ( -1.761,   4.174,   0.598)  ( -1.760,   4.179,   0.598)  ( 0.05,  0.11,  0.01)
163:     torsion (  0.282,  -0.288,   2.724)  (  0.282,  -0.288,   2.725)  ( 0.00,  0.00,  0.03)
163:     vdw     ( -2.337,  -1.262,  -0.140)  ( -2.337,  -1.262,  -0.140)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.770,  -0.413,   0.578)  ( -0.770,  -0.413,   0.578)  ( 0.00,  0.00,  0.00)
163: 44       ( -8.045,   9.666,   3.235)  ( -8.039,   9.694,   3.236)  ( 0.08,  0.29,  0.03)
163:     bond    (  1.544,  12.383,   1.114)  (  1.545,  12.412,   1.114)  ( 0.03,  0.23,  0.03)
163:     angle   ( -9.291,   1.062,   1.043)  ( -9.286,   1.062,   1.043)  ( 0.06,  0.01,  0.00)
163:     torsion (  0.121,  -0.133,   1.312)  (  0.121,  -0.133,   1.313)  ( 0.00,  0.00,  0.06)
163:     vdw     ( -0.297,  -2.246,  -0.246)  ( -0.297,  -2.246,  -0.246)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.122,  -1.401,   0.012)  ( -0.122,  -1.401,   0.012)  ( 0.00,  0.00,  0.00)
163: 45       (-20.489,  -1.793,  -0.197)  (-20.468,  -1.779,  -0.196)  ( 0.10,  0.77,  0.02)
163:     bond    (-15.530,  11.287,   2.391)  (-15.511,  11.296,   2.392)  ( 0.12,  0.09,  0.02)
163:     angle   ( -7.148,  -9.776,  -0.187)  ( -7.146,  -9.773,  -0.187)  ( 0.03,  0.04,  0.00)
163:     torsion ( -0.198,   0.179,  -2.132)  ( -0.198,   0.179,  -2.132)  ( 0.00,  0.00,  0.04)
163:     vdw     (  1.583,  -2.939,  -0.285)  (  1.583,  -2.939,  -0.285)  ( 0.00,  0.01,  0.00)
163:     electro (  0.804,  -0.544,   0.016)  (  0.804,  -0.544,   0.016)  ( 0.00,  0.00,  0.00)
163: 46       (-46.238, -62.524, -18.907)  (-46.212, -62.511, -18.906)  ( 0.06,  0.02,  0.01)
163:     bond    (-11.826,  -4.182,   1.104)  (-11.800,  -4.179,   1.104)  ( 0.22,  0.08,  0.03)
163:     angle   (-21.089,  61.421,   7.120)  (-21.088,  61.427,   7.120)  ( 0.00,  0.01,  0.00)
163:     torsion ( -0.097,   0.023,  -0.953)  ( -0.097,   0.023,  -0.953)  ( 0.00,  0.00,  0.07)
163:     vdw     (-12.557, -119.814, -26.018)  (-12.557, -119.810, -26.019)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.669,   0.028,  -0.158)  ( -0.669,   0.028,  -0.158)  ( 0.00,  0.00,  0.00)
163: 47       ( -5.094,   7.629,  -4.637)  ( -5.086,   7.633,  -4.614)  ( 0.15,  0.05,  0.49)
163:     bond    (  0.337,   0.107,   0.688)  (  0.343,   0.108,   0.710)  ( 0.17,  0.01,  1.52)
163:     angle   ( -5.784,   5.773,   1.912)  ( -5.782,   5.776,   1.912)  ( 0.04,  0.05,  0.03)
163:     torsion (  1.105,   8.313,  -1.798)  (  1.105,   8.313,  -1.798)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -0.752,  -6.565,  -5.438)  ( -0.752,  -6.564,  -5.438)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 48       (-12.714, -49.529,  -2.800)  (-12.692, -49.520,  -2.796)  ( 0.18,  0.02,  0.15)
163:     bond    (-45.403, -22.360,  -5.878)  (-45.381, -22.354,  -5.878)  ( 0.05,  0.02,  0.00)
163:     angle   ( 25.355, -52.296,   3.108)  ( 25.356, -52.292,   3.112)  ( 0.00,  0.01,  0.12)
163:     torsion (  2.076,  -5.961,   6.639)  (  2.076,  -5.961,   6.639)  ( 0.00,  0.00,  0.00)
163:     vdw     (  5.257,  31.087,  -6.670)  (  5.257,  31.088,  -6.669)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 49       ( 29.104, -15.468,  26.637)  ( 29.109, -15.464,  26.663)  ( 0.02,  0.02,  0.10)
163:     bond    (  8.691,  -1.170,  31.882)  (  8.693,  -1.171,  31.908)  ( 0.02,  0.01,  0.08)
163:     angle   ( 17.852, -22.195,  -5.679)  ( 17.856, -22.191,  -5.679)  ( 0.02,  0.02,  0.00)
163:     torsion (  3.717,   7.207,  -0.748)  (  3.717,   7.207,  -0.748)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -1.156,   0.690,   1.183)  ( -1.156,   0.690,   1.183)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 50       ( 17.226,  18.672,  -6.621)  ( 17.231,  18.698,  -6.616)  ( 0.03,  0.14,  0.08)
163:     bond    ( -2.772,  16.961,  -4.316)  ( -2.771,  16.986,  -4.315)  ( 0.02,  0.15,  0.04)
163:     angle   ( 54.172,   5.135, -14.584)  ( 54.176,   5.135, -14.580)  ( 0.01,  0.01,  0.02)
163:     torsion ( -5.480,  -2.138,  -4.896)  ( -5.480,  -2.138,  -4.896)  ( 0.00,  0.00,  0.00)
163:     vdw     (-28.694,  -1.286,  17.174)  (-28.693,  -1.286,  17.174)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 51       (-33.794,  24.274, -40.682)  (-33.779,  24.281, -40.666)  ( 0.04,  0.03,  0.04)
163:     bond    ( 30.352, -12.598, -34.901)  ( 30.363, -12.597, -34.887)  ( 0.04,  0.01,  0.04)
163:     angle   (  7.193, -51.789,  24.959)  (  7.196, -51.786,  24.961)  ( 0.03,  0.01,  0.01)
163:     torsion (  2.155,  -1.693,   2.487)  (  2.155,  -1.693,   2.487)  ( 0.00,  0.00,  0.00)
163:     vdw     (-73.494,  90.354, -33.227)  (-73.493,  90.357, -33.227)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 52       (-24.612,   5.524,  -7.324)  (-24.604,   5.545,  -7.317)  ( 0.03,  0.39,  0.09)
163:     bond    ( -6.378,  13.625,  -4.792)  ( -6.374,  13.645,  -4.789)  ( 0.07,  0.15,  0.05)
163:     angle   (-44.477, -15.621,  14.682)  (-44.474, -15.620,  14.686)  ( 0.01,  0.01,  0.02)
163:     torsion (  0.169,  -0.561,  -1.823)  (  0.169,  -0.560,  -1.822)  ( 0.00,  0.00,  0.01)
163:     vdw     ( 26.075,   8.080, -15.392)  ( 26.075,   8.080, -15.392)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 53       ( -3.184,  -0.113,  25.824)  ( -3.174,  -0.108,  25.845)  ( 0.33,  0.06,  0.08)
163:     bond    ( 16.833,   6.637,  27.999)  ( 16.840,   6.638,  28.018)  ( 0.04,  0.01,  0.07)
163:     angle   (  4.218, -41.377,   7.264)  (  4.221, -41.373,   7.265)  ( 0.07,  0.01,  0.02)
163:     torsion ( -0.788,   0.868,   0.268)  ( -0.788,   0.868,   0.268)  ( 0.01,  0.01,  0.00)
163:     vdw     (-23.447,  33.759,  -9.706)  (-23.447,  33.760,  -9.706)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 54       ( 81.847, -35.310,  -1.568)  ( 81.851, -35.301,  -1.545)  ( 0.01,  0.03,  1.51)
163:     bond    (  1.892,  19.246, -43.726)  (  1.892,  19.250, -43.702)  ( 0.01,  0.02,  0.05)
163:     angle   (  2.957,  31.634,  14.063)  (  2.960,  31.638,  14.064)  ( 0.10,  0.01,  0.00)
163:     torsion (  1.196,   2.026,   0.944)  (  1.196,   2.026,   0.944)  ( 0.00,  0.01,  0.00)
163:     vdw     ( 75.802, -88.217,  27.149)  ( 75.804, -88.215,  27.149)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 55       ( 40.739,  13.177,  25.000)  ( 40.743,  13.194,  25.016)  ( 0.01,  0.13,  0.06)
163:     bond    ( -1.726,  27.095,  26.826)  ( -1.726,  27.109,  26.840)  ( 0.01,  0.05,  0.05)
163:     angle   ( 22.711,  16.443, -15.151)  ( 22.714,  16.445, -15.149)  ( 0.01,  0.01,  0.01)
163:     torsion ( -1.073,  -1.363,   1.308)  ( -1.073,  -1.363,   1.308)  ( 0.00,  0.00,  0.01)
163:     vdw     ( 20.827, -28.997,  12.017)  ( 20.828, -28.996,  12.017)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 56       ( 27.462,  23.808,  27.353)  ( 27.466,  23.818,  27.375)  ( 0.02,  0.04,  0.08)
163:     bond    ( -0.412,  -4.156,   7.487)  ( -0.412,  -4.149,   7.508)  ( 0.00,  0.16,  0.28)
163:     angle   ( -6.861,   6.239,   3.072)  ( -6.858,   6.242,   3.073)  ( 0.04,  0.04,  0.03)
163:     torsion (  3.628,  -1.846,  -0.821)  (  3.628,  -1.846,  -0.821)  ( 0.00,  0.01,  0.00)
163:     vdw     ( 31.106,  23.571,  17.615)  ( 31.107,  23.572,  17.615)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 57       (  5.898,   8.179, -34.688)  (  5.902,   8.194, -34.671)  ( 0.07,  0.18,  0.05)
163:     bond    (  0.673, -10.054, -10.747)  (  0.673, -10.041, -10.733)  ( 0.00,  0.13,  0.14)
163:     angle   (  2.789,   9.500,  -8.716)  (  2.792,   9.501,  -8.714)  ( 0.10,  0.02,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qnq_qn3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qnv_cdz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qo8_3cc.sdf
162:     bond    (  3.025, -78.820,  25.958)  (  3.043, -78.802,  25.977)  ( 0.59,  0.02,  0.07)
162:     angle   (-49.068, 110.969, -36.714)  (-49.060, 110.978, -36.707)  ( 0.02,  0.01,  0.02)
162:     torsion ( -1.503,   1.058,  -0.774)  ( -1.503,   1.059,  -0.774)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  7.677, -13.640,  11.362)  (  7.677, -13.639,  11.362)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.032,   0.235,  -0.211)  ( -0.032,   0.235,  -0.211)  ( 0.00,  0.00,  0.00)
162: 16       ( 31.729, -35.552,  15.159)  ( 31.757, -35.525,  15.186)  ( 0.09,  0.07,  0.17)
162:     bond    ( -1.351,  47.387, -25.784)  ( -1.333,  47.405, -25.766)  ( 1.36,  0.04,  0.07)
162:     angle   ( 33.555, -81.751,  34.045)  ( 33.564, -81.742,  34.052)  ( 0.03,  0.01,  0.02)
162:     torsion (  1.197,  -0.589,   7.374)  (  1.197,  -0.589,   7.374)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.709,  -0.821,  -0.520)  ( -1.709,  -0.821,  -0.520)  ( 0.01,  0.01,  0.00)
162:     electro (  0.038,   0.221,   0.046)  (  0.038,   0.221,   0.046)  ( 0.00,  0.00,  0.00)
162: 17       (  6.118, -32.326, -49.852)  (  6.145, -32.298, -49.826)  ( 0.43,  0.09,  0.05)
162:     bond    (-11.675, -75.819,   2.896)  (-11.658, -75.800,   2.913)  ( 0.14,  0.02,  0.61)
162:     angle   ( 12.832,  40.812, -50.366)  ( 12.841,  40.821, -50.358)  ( 0.07,  0.02,  0.02)
162:     torsion (  1.947,   1.741,  -2.677)  (  1.947,   1.741,  -2.677)  ( 0.01,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.215,   1.061,   0.274)  (  3.216,   1.061,   0.274)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.201,  -0.121,   0.021)  ( -0.201,  -0.121,   0.021)  ( 0.00,  0.00,  0.00)
162: 18       (-33.161,  52.536,  15.536)  (-33.134,  52.563,  15.562)  ( 0.08,  0.05,  0.17)
162:     bond    (  0.939,  25.907,   0.494)  (  0.957,  25.925,   0.513)  ( 1.75,  0.07,  0.92)
162:     angle   (-36.770,  12.993,  13.369)  (-36.762,  13.000,  13.376)  ( 0.02,  0.06,  0.06)
162:     torsion (  2.724,   0.710,   3.961)  (  2.724,   0.711,   3.961)  ( 0.00,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.234,  13.366,  -2.363)  ( -0.233,  13.367,  -2.363)  ( 0.01,  0.00,  0.00)
162:     electro (  0.180,  -0.440,   0.075)  (  0.180,  -0.440,   0.075)  ( 0.00,  0.00,  0.00)
162: 19       ( 37.987,   7.123,  15.649)  ( 38.014,   7.150,  15.676)  ( 0.07,  0.38,  0.17)
162:     bond    ( -0.323,   9.038,   1.714)  ( -0.305,   9.056,   1.733)  ( 0.60,  0.21,  1.08)
162:     angle   ( 26.612,  -1.957,  20.358)  ( 26.620,  -1.949,  20.366)  ( 0.03,  0.41,  0.04)
162:     torsion (  1.649,  -0.902,  -3.804)  (  1.649,  -0.902,  -3.804)  ( 0.00,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 10.597,   0.994,  -2.622)  ( 10.597,   0.994,  -2.622)  ( 0.00,  0.02,  0.00)
162:     electro ( -0.547,  -0.050,   0.004)  ( -0.547,  -0.050,   0.004)  ( 0.00,  0.00,  0.00)
162: 20       (-10.381,  15.215, -40.486)  (-10.354,  15.243, -40.459)  ( 0.26,  0.18,  0.07)
162:     bond    ( 10.285,  -8.664,   4.027)  ( 10.303,  -8.645,   4.045)  ( 0.18,  0.21,  0.45)
162:     angle   (  0.393,  19.206, -30.998)  (  0.400,  19.214, -30.989)  ( 0.30,  0.04,  0.03)
162:     torsion ( -3.530,  -0.913,   0.087)  ( -3.530,  -0.913,   0.087)  ( 0.00,  0.02,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-17.801,   5.682, -13.790)  (-17.800,   5.683, -13.790)  ( 0.00,  0.01,  0.00)
162:     electro (  0.272,  -0.096,   0.188)  (  0.272,  -0.096,   0.188)  ( 0.00,  0.00,  0.00)
162: 21       ( 50.906, -23.098, -16.714)  ( 50.934, -23.072, -16.686)  ( 0.06,  0.11,  0.17)
162:     bond    (114.995,  -1.709, -14.139)  (115.014,  -1.693, -14.122)  ( 0.02,  0.96,  0.12)
162:     angle   (-67.309, -23.081,  -4.995)  (-67.299, -23.072,  -4.984)  ( 0.01,  0.04,  0.20)
162:     torsion ( -2.620,  -2.152,   2.914)  ( -2.620,  -2.152,   2.915)  ( 0.01,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.715,   3.885,  -0.499)  (  5.715,   3.886,  -0.499)  ( 0.00,  0.00,  0.00)
162:     electro (  0.125,  -0.041,   0.005)  (  0.125,  -0.041,   0.005)  ( 0.00,  0.00,  0.00)
162: 22       (-16.148,  23.784,  55.343)  (-16.122,  23.811,  55.371)  ( 0.17,  0.11,  0.05)
162:     bond    (  5.914, -13.650, -25.328)  (  5.932, -13.632, -25.309)  ( 0.31,  0.13,  0.07)
162:     angle   (-16.459,  16.679,  60.398)  (-16.451,  16.687,  60.406)  ( 0.05,  0.05,  0.01)
162:     torsion (  0.827,  -1.949,   1.055)  (  0.827,  -1.949,   1.055)  ( 0.02,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.533,  22.878,  19.525)  ( -6.533,  22.879,  19.525)  ( 0.01,  0.00,  0.00)
162:     electro (  0.103,  -0.174,  -0.307)  (  0.103,  -0.174,  -0.307)  ( 0.00,  0.00,  0.00)
162: 23       (  1.239,  24.267, -60.315)  (  1.266,  24.294, -60.288)  ( 2.16,  0.11,  0.04)
162:     bond    (-32.251, -19.993,   7.102)  (-32.234, -19.975,   7.120)  ( 0.06,  0.09,  0.26)
162:     angle   ( 42.431,  23.788, -56.689)  ( 42.440,  23.797, -56.680)  ( 0.02,  0.04,  0.01)
162:     torsion ( -0.297,   6.929,  -1.857)  ( -0.297,   6.929,  -1.856)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -8.931,  13.671,  -9.129)  ( -8.931,  13.672,  -9.129)  ( 0.00,  0.00,  0.00)
162:     electro (  0.288,  -0.129,   0.257)  (  0.288,  -0.129,   0.257)  ( 0.00,  0.00,  0.00)
162: 24       (-42.391,  41.088,   4.587)  (-42.363,  41.115,   4.614)  ( 0.07,  0.07,  0.57)
162:     bond    ( 38.562, -24.577, -11.848)  ( 38.580, -24.559, -11.830)  ( 0.05,  0.08,  0.15)
162:     angle   (-65.211,  51.416,  37.818)  (-65.202,  51.425,  37.826)  ( 0.01,  0.02,  0.02)
162:     torsion ( -4.487,   2.988,   1.987)  ( -4.486,   2.988,   1.988)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-11.129,  11.373, -23.582)  (-11.129,  11.373, -23.581)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.126,  -0.112,   0.211)  ( -0.126,  -0.112,   0.211)  ( 0.00,  0.00,  0.00)
162: 25       (-28.101, -61.144, -25.772)  (-28.073, -61.115, -25.745)  ( 0.10,  0.05,  0.10)
162:     bond    (-98.484, -40.750,  51.097)  (-98.467, -40.731,  51.115)  ( 0.02,  0.05,  0.04)
162:     angle   ( 73.204, -34.175, -58.194)  ( 73.213, -34.166, -58.186)  ( 0.01,  0.03,  0.01)
162:     torsion (  2.203,  -2.710, -10.758)  (  2.203,  -2.710, -10.758)  ( 0.01,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.869,  16.592,  -7.909)  ( -4.869,  16.592,  -7.909)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.154,  -0.101,  -0.008)  ( -0.154,  -0.101,  -0.008)  ( 0.00,  0.00,  0.00)
162: 26       ( 35.161, -13.615,  -7.818)  ( 35.190, -13.587,  -7.791)  ( 0.08,  0.21,  0.34)
162:     bond    (103.369,   5.170, -50.791)  (103.386,   5.189, -50.773)  ( 0.02,  0.35,  0.04)
162:     angle   (-63.196, -26.589,  42.786)  (-63.185, -26.580,  42.794)  ( 0.02,  0.03,  0.02)
162:     torsion ( -1.603,  -0.711,   1.139)  ( -1.603,  -0.710,   1.140)  ( 0.01,  0.03,  0.08)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.485,   8.521,  -0.920)  ( -3.485,   8.521,  -0.920)  ( 0.01,  0.00,  0.00)
162:     electro (  0.076,  -0.007,  -0.032)  (  0.076,  -0.007,  -0.032)  ( 0.00,  0.00,  0.00)
162: 27       (-14.837,  26.774,  43.062)  (-14.810,  26.801,  43.089)  ( 0.18,  0.10,  0.06)
162:     bond    (  4.117, -17.524, -19.432)  (  4.135, -17.505, -19.413)  ( 0.44,  0.11,  0.10)
162:     angle   (-13.628,  41.763,  43.917)  (-13.620,  41.771,  43.925)  ( 0.06,  0.02,  0.02)
162:     torsion ( -0.358,  -1.930,   0.806)  ( -0.357,  -1.930,   0.806)  ( 0.01,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -5.096,   4.534,  18.317)  ( -5.096,   4.534,  18.318)  ( 0.01,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qoe_448.sdf
164:     angle   (  6.274,   3.725,  -3.075)  (  6.274,   3.725,  -3.075)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -0.199,  -0.342,  -1.642)  ( -0.199,  -0.342,  -1.642)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.477,  -0.975,  -0.284)  ( -0.477,  -0.975,  -0.284)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 24       ( 10.798,  13.827,  -7.791)  ( 10.799,  13.829,  -7.790)  ( 0.01,  0.01,  0.02)
164:     bond    ( -5.076,   7.231,  -5.839)  ( -5.075,   7.232,  -5.838)  ( 0.01,  0.02,  0.02)
164:     angle   ( 15.920,   8.574,  -3.218)  ( 15.920,   8.575,  -3.218)  ( 0.00,  0.00,  0.01)
164:     strbnd  (  0.876,  -0.556,   0.755)  (  0.876,  -0.556,   0.755)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.922,  -1.422,   0.511)  ( -0.922,  -1.422,   0.511)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: ok 16 # gradients 
164: ok 17 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qpj_i20.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qpl_bty.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qpu_qpu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qr2_vk3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qr9_hz3.sdf
163:     torsion ( -3.331,   3.439,  -3.426)  ( -3.331,   3.439,  -3.426)  ( 0.00,  0.00,  0.00)
163:     vdw     (  5.767,   5.294, -11.798)  (  5.768,   5.295, -11.798)  ( 0.02,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 58       ( -5.885,  -8.931, -52.790)  ( -5.882,  -8.918, -52.771)  ( 0.05,  0.14,  0.04)
163:     bond    (  0.309,  11.548, -14.901)  (  0.309,  11.558, -14.884)  ( 0.00,  0.09,  0.12)
163:     angle   ( -5.702,  -5.199,  -4.155)  ( -5.699,  -5.197,  -4.154)  ( 0.05,  0.03,  0.03)
163:     torsion ( -0.002,  -2.821,  -2.191)  ( -0.002,  -2.821,  -2.191)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.490, -12.458, -31.543)  ( -0.490, -12.458, -31.542)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 59       (  9.458,  -4.008,  17.326)  (  9.462,  -3.993,  17.342)  ( 0.04,  0.36,  0.10)
163:     bond    ( -0.858,  -7.737,   8.410)  ( -0.858,  -7.725,   8.425)  ( 0.01,  0.16,  0.18)
163:     angle   (  0.951,  16.311,  15.052)  (  0.953,  16.313,  15.053)  ( 0.28,  0.01,  0.01)
163:     torsion (  6.189,  -5.933,  -4.809)  (  6.189,  -5.933,  -4.809)  ( 0.00,  0.00,  0.00)
163:     vdw     (  3.178,  -6.649,  -1.327)  (  3.178,  -6.649,  -1.327)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 60       (  1.202,   7.569, -16.604)  (  1.206,   7.579, -16.583)  ( 0.36,  0.13,  0.13)
163:     bond    ( -0.741,  -4.985,  -8.670)  ( -0.741,  -4.978,  -8.650)  ( 0.01,  0.14,  0.24)
163:     angle   ( 19.298,  11.561,  -8.309)  ( 19.301,  11.564,  -8.308)  ( 0.02,  0.02,  0.01)
163:     torsion ( -4.603,   8.550,  -4.527)  ( -4.603,   8.550,  -4.527)  ( 0.00,  0.00,  0.00)
163:     vdw     (-12.753,  -7.557,   4.902)  (-12.751,  -7.557,   4.902)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 61       (  0.222,  16.889, -44.780)  (  0.225,  16.915, -44.775)  ( 0.08,  0.15,  0.01)
163:     bond    ( -1.386,  20.860,  -6.064)  ( -1.386,  20.885,  -6.062)  ( 0.00,  0.12,  0.03)
163:     angle   ( -3.325,  -5.687, -18.836)  ( -3.322,  -5.687, -18.834)  ( 0.08,  0.00,  0.01)
163:     torsion (  7.603,  -5.139, -19.445)  (  7.603,  -5.139, -19.445)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.671,   6.856,  -0.436)  ( -2.671,   6.856,  -0.435)  ( 0.02,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 62       (-11.163, -22.804,  19.699)  (-11.158, -22.782,  19.706)  ( 0.04,  0.10,  0.04)
163:     bond    (  5.612, -18.339,   8.759)  (  5.614, -18.318,   8.764)  ( 0.03,  0.11,  0.05)
163:     angle   (-10.045,   6.500,  20.018)  (-10.042,   6.501,  20.021)  ( 0.02,  0.01,  0.02)
163:     torsion ( -6.192,  -3.697,  -3.761)  ( -6.192,  -3.697,  -3.761)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.538,  -7.268,  -5.318)  ( -0.538,  -7.268,  -5.318)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 63       ( -7.929,  12.434, -29.237)  ( -7.923,  12.439, -29.213)  ( 0.08,  0.04,  0.08)
163:     bond    ( -8.382,  -4.333, -22.492)  ( -8.379,  -4.333, -22.469)  ( 0.04,  0.02,  0.10)
163:     angle   (-19.664,  13.436,   4.740)  (-19.662,  13.440,   4.740)  ( 0.01,  0.03,  0.01)
163:     torsion (  2.869,   6.025,  -2.232)  (  2.869,   6.025,  -2.232)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 17.248,  -2.694,  -9.253)  ( 17.248,  -2.694,  -9.253)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 64       ( -4.731, -155.892,  91.597)  ( -4.731, -155.852,  91.604)  ( 0.01,  0.03,  0.01)
163:     bond    (-17.037, -174.637,  46.452)  (-17.036, -174.598,  46.456)  ( 0.01,  0.02,  0.01)
163:     angle   ( -0.653,   3.633,  13.413)  ( -0.653,   3.633,  13.415)  ( 0.00,  0.01,  0.02)
163:     torsion ( 11.026,  -0.870,   0.773)  ( 11.026,  -0.870,   0.773)  ( 0.01,  0.00,  0.00)
163:     vdw     (  0.985,  17.333,  30.587)  (  0.985,  17.333,  30.588)  ( 0.01,  0.00,  0.00)
163:     electro (  0.947,  -1.351,   0.372)  (  0.947,  -1.351,   0.372)  ( 0.00,  0.00,  0.00)
163: 65       (-537.893, -18.195, 271.533)  (-537.846, -18.192, 271.542)  ( 0.01,  0.01,  0.00)
163:     bond    (-318.057, -51.391,   7.139)  (-318.016, -51.389,   7.141)  ( 0.01,  0.01,  0.02)
163:     angle   (  1.368,  -2.834,  40.547)  (  1.369,  -2.834,  40.550)  ( 0.00,  0.00,  0.01)
163:     torsion ( -6.132,  38.351,   2.887)  ( -6.132,  38.352,   2.887)  ( 0.00,  0.00,  0.00)
163:     vdw     (-212.980,  -2.100, 217.731)  (-212.975,  -2.101, 217.735)  ( 0.00,  0.03,  0.00)
163:     electro ( -2.092,  -0.220,   3.229)  ( -2.092,  -0.220,   3.229)  ( 0.00,  0.00,  0.00)
163: ok 14 # gradients 
163: ok 15 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (166.260, -124.810, -60.501)  (166.338, -124.744, -60.475)  ( 0.05,  0.05,  0.04)
163:     bond    (-26.883, -147.726, -90.013)  (-26.816, -147.672, -89.993)  ( 0.25,  0.04,  0.02)
163:     angle   (190.780,  16.997,  38.464)  (190.792,  17.008,  38.468)  ( 0.01,  0.06,  0.01)
163:     torsion (  1.643,   5.589,  -9.269)  (  1.643,   5.590,  -9.267)  ( 0.00,  0.01,  0.02)
163:     vdw     (  1.136,   0.027,   0.420)  (  1.136,   0.027,   0.420)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.417,   0.303,  -0.103)  ( -0.417,   0.303,  -0.103)  ( 0.00,  0.00,  0.00)
163:  2       (-297.442,  96.061,  13.554)  (-297.360,  96.124,  13.580)  ( 0.03,  0.07,  0.19)
163:     bond    (-129.145, 138.142,  49.204)  (-129.074, 138.195,  49.224)  ( 0.06,  0.04,  0.04)
163:     angle   (-166.550, -33.495, -45.045)  (-166.539, -33.485, -45.042)  ( 0.01,  0.03,  0.01)
163:     torsion ( -2.365,  -6.507,  10.958)  ( -2.365,  -6.506,  10.961)  ( 0.01,  0.01,  0.02)
163:     vdw     (  0.160,  -1.116,  -0.733)  (  0.160,  -1.116,  -0.733)  ( 0.00,  0.00,  0.00)
163:     electro (  0.459,  -0.964,  -0.830)  (  0.459,  -0.964,  -0.830)  ( 0.00,  0.00,  0.00)
163:  3       ( -9.374,  44.901,  10.754)  ( -9.292,  44.960,  10.779)  ( 0.88,  0.13,  0.23)
163:     bond    ( 19.883, -14.941,   1.560)  ( 19.953, -14.890,   1.579)  ( 0.35,  0.34,  1.26)
163:     angle   (-34.122,  46.870,  31.364)  (-34.110,  46.878,  31.368)  ( 0.03,  0.02,  0.01)
163:     torsion (  4.521,  13.586, -22.108)  (  4.521,  13.587, -22.106)  ( 0.00,  0.01,  0.01)
163:     vdw     (  0.345,  -0.614,  -0.062)  (  0.345,  -0.614,  -0.062)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       (-124.051, -215.622, -108.163)  (-123.960, -215.557, -108.137)  ( 0.07,  0.03,  0.02)
163:     bond    (-57.493, -82.447, -62.641)  (-57.414, -82.393, -62.620)  ( 0.14,  0.06,  0.03)
163:     angle   (-65.102, -130.239, -41.819)  (-65.090, -130.228, -41.816)  ( 0.02,  0.01,  0.01)
163:     torsion ( -0.390,  -1.566,  -3.103)  ( -0.390,  -1.565,  -3.101)  ( 0.00,  0.06,  0.06)
163:     vdw     ( -1.066,  -1.370,  -0.600)  ( -1.066,  -1.370,  -0.600)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (-96.373, -281.104, -157.053)  (-96.286, -281.046, -157.025)  ( 0.09,  0.02,  0.02)
163:     bond    ( 35.164, -188.308, -106.187)  ( 35.239, -188.263, -106.166)  ( 0.21,  0.02,  0.02)
163:     angle   (-128.195, -84.691, -69.739)  (-128.183, -84.679, -69.735)  ( 0.01,  0.01,  0.01)
163:     torsion ( -3.475, -11.451,  18.110)  ( -3.475, -11.450,  18.112)  ( 0.00,  0.01,  0.01)
163:     vdw     (  0.841,   0.225,   0.383)  (  0.841,   0.225,   0.383)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.709,   3.122,   0.381)  ( -0.709,   3.122,   0.381)  ( 0.00,  0.00,  0.00)
163:  6       (135.392, 231.857,  41.616)  (135.485, 231.944,  41.619)  ( 0.07,  0.04,  0.01)
163:     bond    ( 63.298,  98.989, -13.836)  ( 63.378,  99.062, -13.837)  ( 0.13,  0.07,  0.00)
163:     angle   ( 70.873, 127.550,  32.227)  ( 70.885, 127.563,  32.227)  ( 0.02,  0.01,  0.00)
163:     torsion (  0.010,   3.655,  22.816)  (  0.010,   3.656,  22.819)  ( 0.00,  0.01,  0.01)
163:     vdw     (  1.212,   1.662,   0.409)  (  1.212,   1.662,   0.409)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qs1_ub1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qs2_ubf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qs3_ube.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qs4_ly5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qt0_nnr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qt9_524.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qtb_474.sdf
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  7       (123.249, 325.409, -71.352)  (123.338, 325.486, -71.347)  ( 0.07,  0.02,  0.01)
163:     bond    (-21.296, 213.826, -37.139)  (-21.219, 213.888, -37.137)  ( 0.36,  0.03,  0.01)
163:     angle   (144.375, 118.592, -11.308)  (144.387, 118.608, -11.308)  ( 0.01,  0.01,  0.01)
163:     torsion (  0.299,  -3.704, -22.297)  (  0.299,  -3.704, -22.295)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.931,  -0.274,   0.221)  ( -0.931,  -0.274,   0.221)  ( 0.00,  0.00,  0.00)
163:     electro (  0.801,  -3.032,  -0.829)  (  0.801,  -3.032,  -0.829)  ( 0.00,  0.00,  0.00)
163:  8       (-173.670, 141.930,   1.489)  (-173.590, 142.018,   1.491)  ( 0.05,  0.06,  0.11)
163:     bond    ( 35.279, 170.381, -15.404)  ( 35.347, 170.453, -15.405)  ( 0.19,  0.04,  0.00)
163:     angle   (-208.439, -28.829,   7.088)  (-208.427, -28.814,   7.087)  ( 0.01,  0.05,  0.01)
163:     torsion (  0.235,   0.811,   9.763)  (  0.235,   0.811,   9.766)  ( 0.00,  0.00,  0.03)
163:     vdw     ( -1.182,  -0.171,   0.176)  ( -1.182,  -0.171,   0.176)  ( 0.00,  0.00,  0.00)
163:     electro (  0.437,  -0.262,  -0.133)  (  0.437,  -0.262,  -0.133)  ( 0.00,  0.00,  0.00)
163:  9       (301.704, -104.522,  13.779)  (301.791, -104.438,  13.781)  ( 0.03,  0.08,  0.01)
163:     bond    (124.141, -150.653,   6.072)  (124.216, -150.583,   6.071)  ( 0.06,  0.05,  0.01)
163:     angle   (177.366,  42.267,  -6.026)  (177.378,  42.281,  -6.026)  ( 0.01,  0.03,  0.01)
163:     torsion (  0.582,   1.393,  14.392)  (  0.582,   1.393,  14.396)  ( 0.00,  0.00,  0.02)
163:     vdw     ( -0.014,   1.237,  -0.267)  ( -0.014,   1.237,  -0.267)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.371,   1.234,  -0.393)  ( -0.371,   1.234,  -0.393)  ( 0.00,  0.00,  0.00)
163: 10       ( -9.031, -36.657,  -1.954)  ( -8.947, -36.577,  -1.951)  ( 0.93,  0.22,  0.14)
163:     bond    (-21.325,  13.809,   7.460)  (-21.252,  13.878,   7.459)  ( 0.34,  0.50,  0.01)
163:     angle   ( 13.345, -47.372,  23.451)  ( 13.357, -47.361,  23.452)  ( 0.09,  0.02,  0.00)
163:     torsion ( -0.719,  -3.690, -33.032)  ( -0.719,  -3.690, -33.029)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.333,   0.596,   0.167)  ( -0.333,   0.596,   0.168)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       (-336.506, -447.392,  64.729)  (-336.459, -447.339,  64.774)  ( 0.01,  0.01,  0.07)
163:     bond    (-120.022, -230.427,  22.445)  (-119.988, -230.387,  22.481)  ( 0.03,  0.02,  0.16)
163:     angle   (-216.364, -217.710,  35.994)  (-216.351, -217.696,  36.003)  ( 0.01,  0.01,  0.02)
163:     torsion (  0.153,   0.539,   5.921)  (  0.153,   0.539,   5.921)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.273,   0.205,   0.368)  ( -0.273,   0.205,   0.368)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       ( 46.356, -46.809,   0.794)  ( 46.380, -46.798,   0.794)  ( 0.05,  0.02,  0.02)
163:     bond    ( 11.340,   6.435,  -0.602)  ( 11.362,   6.442,  -0.602)  ( 0.19,  0.11,  0.00)
163:     angle   ( 29.821, -51.986,   6.570)  ( 29.823, -51.982,   6.570)  ( 0.01,  0.01,  0.01)
163:     torsion ( -0.085,  -0.362,  -5.488)  ( -0.085,  -0.362,  -5.487)  ( 0.00,  0.00,  0.02)
163:     vdw     (  2.804,  -0.728,   0.159)  (  2.804,  -0.728,   0.159)  ( 0.00,  0.00,  0.00)
163:     electro (  2.476,  -0.168,   0.155)  (  2.476,  -0.168,   0.155)  ( 0.00,  0.00,  0.00)
163: 13       (-43.636, -62.095,   8.066)  (-43.618, -62.079,   8.066)  ( 0.04,  0.03,  0.01)
163:     bond    (  6.870,  -6.372,   0.515)  (  6.886,  -6.359,   0.515)  ( 0.23,  0.21,  0.00)
163:     angle   (-50.625, -54.068,   9.337)  (-50.623, -54.064,   9.337)  ( 0.00,  0.01,  0.00)
163:     torsion ( -0.046,  -0.212,  -2.002)  ( -0.046,  -0.212,  -2.002)  ( 0.00,  0.00,  0.04)
163:     vdw     (  0.398,  -0.320,  -0.098)  (  0.398,  -0.320,  -0.098)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.233,  -1.124,   0.314)  ( -0.233,  -1.124,   0.314)  ( 0.00,  0.00,  0.00)
163: 14       (308.284, 404.996, 275.217)  (308.332, 405.047, 275.264)  ( 0.02,  0.01,  0.02)
163:     bond    (107.886, 194.366, 137.411)  (107.920, 194.406, 137.448)  ( 0.03,  0.02,  0.03)
163:     angle   (200.875, 213.264, 133.858)  (200.889, 213.276, 133.868)  ( 0.01,  0.01,  0.01)
163:     torsion ( -0.757,  -2.266,   3.729)  ( -0.757,  -2.265,   3.730)  ( 0.00,  0.00,  0.01)
163:     vdw     (  0.279,  -0.369,   0.219)  (  0.280,  -0.369,   0.219)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 15       (-44.147,  39.860,  11.226)  (-44.125,  39.868,  11.231)  ( 0.05,  0.02,  0.05)
163:     bond    (-10.739,  -4.993,  -5.106)  (-10.719,  -4.989,  -5.102)  ( 0.19,  0.09,  0.09)
163:     angle   (-28.282,  44.652,  15.753)  (-28.281,  44.655,  15.753)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.151,  -0.525,   0.829)  ( -0.151,  -0.525,   0.830)  ( 0.00,  0.01,  0.05)
163:     vdw     ( -2.532,   0.555,  -0.056)  ( -2.532,   0.555,  -0.056)  ( 0.00,  0.00,  0.00)
163:     electro ( -2.442,   0.172,  -0.193)  ( -2.442,   0.172,  -0.193)  ( 0.00,  0.00,  0.00)
163: 16       ( 38.574,  50.678,  41.047)  ( 38.592,  50.691,  41.050)  ( 0.05,  0.03,  0.01)
163:     bond    ( -7.428,   5.996,   2.147)  ( -7.412,   6.007,   2.149)  ( 0.22,  0.18,  0.06)
163:     angle   ( 46.271,  43.224,  38.774)  ( 46.273,  43.226,  38.776)  ( 0.00,  0.01,  0.00)
163:     torsion (  0.129,   0.355,  -0.548)  (  0.129,   0.355,  -0.548)  ( 0.00,  0.01,  0.03)
163:     vdw     ( -0.555,   0.208,  -0.096)  ( -0.555,   0.208,  -0.096)  ( 0.00,  0.00,  0.00)
163:     electro (  0.157,   0.896,   0.769)  (  0.157,   0.896,   0.769)  ( 0.00,  0.00,  0.00)
163: 17       ( 71.455, 185.399, 120.770)  ( 71.462, 185.421, 120.779)  ( 0.01,  0.01,  0.01)
163:     bond    (-22.457, 185.029, 106.355)  (-22.456, 185.051, 106.363)  ( 0.01,  0.01,  0.01)
163:     angle   ( 88.062,  -0.258,  19.043)  ( 88.067,  -0.258,  19.043)  ( 0.01,  0.00,  0.00)
163:     torsion (  0.626,   1.802,  -3.004)  (  0.626,   1.802,  -3.003)  ( 0.00,  0.01,  0.02)
163:     vdw     ( -0.029,  -0.116,  -2.337)  ( -0.029,  -0.116,  -2.337)  ( 0.00,  0.00,  0.00)
163:     electro (  5.254,  -1.057,   0.713)  (  5.254,  -1.057,   0.713)  ( 0.00,  0.00,  0.00)
163: 18       (-95.247, -212.706,  45.184)  (-95.241, -212.677,  45.186)  ( 0.01,  0.01,  0.01)
163:     bond    (  9.361, -210.545,  37.181)  (  9.362, -210.516,  37.183)  ( 0.01,  0.01,  0.01)
163:     angle   (-100.474,  -5.213,  -4.217)  (-100.469,  -5.213,  -4.217)  ( 0.01,  0.00,  0.00)
163:     torsion ( -0.174,   2.516,  14.287)  ( -0.174,   2.516,  14.287)  ( 0.00,  0.00,  0.00)
163:     vdw     (  1.452,  -0.345,  -2.215)  (  1.452,  -0.345,  -2.215)  ( 0.02,  0.00,  0.00)
163:     electro ( -5.413,   0.881,   0.149)  ( -5.413,   0.881,   0.149)  ( 0.00,  0.00,  0.00)
163: 19       (-84.920, -114.935, -67.235)  (-84.906, -114.922, -67.225)  ( 0.02,  0.01,  0.01)
163:     bond    ( 31.603, -31.324, -25.273)  ( 31.614, -31.314, -25.266)  ( 0.03,  0.03,  0.03)
163:     angle   (-117.689, -84.412, -42.640)  (-117.686, -84.410, -42.637)  ( 0.00,  0.00,  0.01)
163:     torsion ( -0.008,   0.089,  -0.120)  ( -0.008,   0.089,  -0.120)  ( 0.00,  0.00,  0.00)
163:     vdw     (  1.174,   0.712,   0.799)  (  1.174,   0.712,   0.799)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 20       (-48.107, -72.235, -69.589)  (-48.093, -72.229, -69.574)  ( 0.03,  0.01,  0.02)
163:     bond    (-37.263,  17.611, -41.184)  (-37.252,  17.614, -41.170)  ( 0.03,  0.02,  0.03)
163:     angle   (-10.876, -89.876, -28.612)  (-10.874, -89.872, -28.611)  ( 0.02,  0.00,  0.01)
163:     torsion ( -0.096,  -0.011,   0.083)  ( -0.096,  -0.011,   0.083)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.129,   0.040,   0.124)  (  0.129,   0.040,   0.124)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 21       (-41.116, -95.064, -44.322)  (-41.105, -95.050, -44.310)  ( 0.03,  0.01,  0.03)
163:     bond    (-30.031, -36.047,  31.516)  (-30.023, -36.035,  31.525)  ( 0.03,  0.03,  0.03)
163:     angle   ( -8.296, -60.639, -77.213)  ( -8.293, -60.637, -77.210)  ( 0.03,  0.00,  0.00)
163:     torsion (  0.117,  -0.076,   0.025)  (  0.117,  -0.076,   0.025)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.906,   1.698,   1.350)  ( -2.905,   1.698,   1.350)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qtu_3as.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qu3_462.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qu5_276.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qu6_857.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qu9_eug.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qum_tag.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qv4_qv4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qwd_4am.sdf
162:     electro (  0.128,  -0.069,  -0.547)  (  0.128,  -0.069,  -0.547)  ( 0.00,  0.00,  0.00)
162: 28       (  8.497,  -0.257,  -5.188)  (  8.512,  -0.251,  -5.172)  ( 0.18,  0.15,  0.31)
162:     bond    ( 14.780,   7.587,   0.109)  ( 14.794,   7.591,   0.120)  ( 0.09,  0.05,  0.12)
162:     angle   ( -1.698,   5.503,  -0.586)  ( -1.696,   5.505,  -0.581)  ( 0.07,  0.03,  0.28)
162:     torsion (  3.366,  -7.648,  -0.412)  (  3.366,  -7.648,  -0.412)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -9.291,  -7.560,  -4.551)  ( -9.291,  -7.560,  -4.551)  ( 0.00,  0.00,  0.00)
162:     electro (  1.340,   1.861,   0.252)  (  1.340,   1.861,   0.252)  ( 0.00,  0.00,  0.00)
162: 29       (  1.135,   9.164,  22.858)  (  1.139,   9.169,  22.870)  ( 0.29,  0.05,  0.05)
162:     bond    ( -5.112,  12.768,  26.865)  ( -5.112,  12.770,  26.876)  ( 0.01,  0.02,  0.04)
162:     angle   ( -1.676,  -6.965,   2.989)  ( -1.674,  -6.963,   2.990)  ( 0.14,  0.03,  0.02)
162:     torsion (  5.386,   0.895,   0.599)  (  5.386,   0.895,   0.599)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.489,   2.748,  -7.812)  (  2.489,   2.748,  -7.812)  ( 0.01,  0.01,  0.00)
162:     electro (  0.049,  -0.281,   0.216)  (  0.049,  -0.281,   0.216)  ( 0.00,  0.00,  0.00)
162: 30       (  6.513,  -5.402, -14.742)  (  6.517,  -5.398, -14.729)  ( 0.06,  0.07,  0.09)
162:     bond    (  2.161,  -3.150, -10.451)  (  2.161,  -3.149, -10.438)  ( 0.03,  0.04,  0.12)
162:     angle   ( -5.037,   5.760,  -2.781)  ( -5.035,   5.763,  -2.781)  ( 0.05,  0.04,  0.01)
162:     torsion ( -3.391,   1.961,  -1.294)  ( -3.391,   1.961,  -1.294)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 12.958, -10.001,  -0.088)  ( 12.958, -10.000,  -0.088)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.177,   0.028,  -0.128)  ( -0.177,   0.028,  -0.128)  ( 0.00,  0.00,  0.00)
162: 31       ( -1.275,   8.846,  19.336)  ( -1.272,   8.850,  19.349)  ( 0.27,  0.05,  0.07)
162:     bond    ( -5.210,   9.256,  28.211)  ( -5.210,   9.257,  28.223)  ( 0.01,  0.02,  0.04)
162:     angle   ( -2.481,   7.776,  -3.009)  ( -2.479,   7.778,  -3.009)  ( 0.10,  0.03,  0.01)
162:     torsion (  3.362,   4.451,  -0.839)  (  3.362,   4.451,  -0.839)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.174, -12.636,  -4.980)  (  3.174, -12.636,  -4.979)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.120,  -0.000,  -0.047)  ( -0.120,  -0.000,  -0.047)  ( 0.00,  0.00,  0.00)
162: 32       ( 14.674,  13.014,   6.241)  ( 14.677,  13.019,   6.252)  ( 0.02,  0.04,  0.19)
162:     bond    ( -2.053,   4.526,   9.293)  ( -2.053,   4.528,   9.304)  ( 0.03,  0.06,  0.12)
162:     angle   (  8.651,   6.694,  -1.351)  (  8.653,   6.696,  -1.350)  ( 0.03,  0.03,  0.04)
162:     torsion (  6.608,   2.848,   0.072)  (  6.609,   2.848,   0.072)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.573,  -1.248,  -1.048)  ( -0.573,  -1.248,  -1.048)  ( 0.00,  0.00,  0.00)
162:     electro (  2.041,   0.195,  -0.725)  (  2.041,   0.195,  -0.725)  ( 0.00,  0.00,  0.00)
162: 33       ( 18.911,  -3.943,   2.356)  ( 18.918,  -3.940,   2.365)  ( 0.04,  0.07,  0.38)
162:     bond    ( 10.734,  -2.576,  12.310)  ( 10.740,  -2.575,  12.317)  ( 0.06,  0.02,  0.06)
162:     angle   ( 11.242,  -4.178, -10.677)  ( 11.243,  -4.176, -10.676)  ( 0.01,  0.06,  0.01)
162:     torsion ( -1.546,   0.545,   1.461)  ( -1.546,   0.545,   1.461)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.573,   2.028,  -1.039)  ( -1.573,   2.028,  -1.039)  ( 0.00,  0.00,  0.00)
162:     electro (  0.054,   0.239,   0.301)  (  0.054,   0.239,   0.301)  ( 0.00,  0.00,  0.00)
162: 34       ( 17.221,  -5.670,  -5.070)  ( 17.226,  -5.666,  -5.060)  ( 0.03,  0.08,  0.20)
162:     bond    (  6.265,  -5.629, -11.470)  (  6.267,  -5.627, -11.461)  ( 0.04,  0.04,  0.08)
162:     angle   ( 19.085,  -3.007,  11.912)  ( 19.087,  -3.005,  11.913)  ( 0.01,  0.07,  0.01)
162:     torsion (  3.429,  -0.923,   2.328)  (  3.429,  -0.923,   2.328)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-11.595,   4.208,  -8.007)  (-11.595,   4.208,  -8.007)  ( 0.00,  0.00,  0.00)
162:     electro (  0.037,  -0.319,   0.167)  (  0.037,  -0.319,   0.167)  ( 0.00,  0.00,  0.00)
162: 35       ( -0.153,   2.884,  15.147)  ( -0.149,   2.888,  15.159)  ( 0.06,  0.12,  0.08)
162:     bond    ( -5.651,   5.533,  15.742)  ( -5.650,   5.534,  15.753)  ( 0.03,  0.03,  0.07)
162:     angle   (  8.976,  -0.225,   3.298)  (  8.979,  -0.223,   3.298)  ( 0.03,  0.04,  0.01)
162:     torsion (  0.041,  -3.843,   1.365)  (  0.041,  -3.843,   1.365)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.628,   1.379,  -5.426)  ( -3.628,   1.379,  -5.426)  ( 0.01,  0.00,  0.00)
162:     electro (  0.109,   0.040,   0.169)  (  0.109,   0.040,   0.169)  ( 0.00,  0.00,  0.00)
162: 36       (  5.573, -10.443,   1.601)  (  5.576, -10.429,   1.603)  ( 0.06,  0.13,  0.16)
162:     bond    (  2.447, -12.323,   1.178)  (  2.448, -12.309,   1.178)  ( 0.02,  0.11,  0.02)
162:     angle   (  9.835,   2.579,   6.502)  (  9.837,   2.579,   6.504)  ( 0.02,  0.01,  0.03)
162:     torsion (  1.139,   0.057,  -1.770)  (  1.139,   0.057,  -1.770)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -7.878,  -0.677,  -4.353)  ( -7.878,  -0.677,  -4.353)  ( 0.00,  0.00,  0.00)
162:     electro (  0.030,  -0.079,   0.042)  (  0.030,  -0.079,   0.042)  ( 0.00,  0.00,  0.00)
162: 37       (  2.702,  11.065, -14.075)  (  2.706,  11.068, -14.063)  ( 0.15,  0.02,  0.09)
162:     bond    (  5.434,  -1.965, -15.059)  (  5.436,  -1.965, -15.047)  ( 0.03,  0.01,  0.08)
162:     angle   ( -6.922,   9.749,  -3.773)  ( -6.920,   9.751,  -3.773)  ( 0.03,  0.02,  0.01)
162:     torsion ( -1.385,   6.532,  -1.353)  ( -1.385,   6.532,  -1.353)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.021,  -3.169,   6.271)  (  6.021,  -3.169,   6.271)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.447,  -0.082,  -0.161)  ( -0.447,  -0.082,  -0.161)  ( 0.00,  0.00,  0.00)
162: 38       (  6.424,  19.193,   1.053)  (  6.427,  19.207,   1.056)  ( 0.05,  0.07,  0.22)
162:     bond    ( -3.922,  19.838,   1.549)  ( -3.921,  19.851,   1.549)  ( 0.02,  0.07,  0.01)
162:     angle   ( 18.258,   4.139,  -6.820)  ( 18.260,   4.139,  -6.818)  ( 0.01,  0.00,  0.03)
162:     torsion ( -1.009,  -0.621,   5.406)  ( -1.009,  -0.621,   5.406)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.486,  -4.338,   0.616)  ( -6.486,  -4.338,   0.616)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.416,   0.175,   0.302)  ( -0.416,   0.175,   0.302)  ( 0.00,  0.00,  0.00)
162: 39       (  2.389,  11.625,   2.946)  (  2.393,  11.639,   2.948)  ( 0.16,  0.12,  0.06)
162:     bond    ( -0.674,  12.590,  -2.228)  ( -0.674,  12.604,  -2.228)  ( 0.01,  0.11,  0.02)
162:     angle   ( -3.946,  -0.319,  -0.610)  ( -3.943,  -0.319,  -0.610)  ( 0.08,  0.00,  0.00)
162:     torsion ( -0.192,   0.884,   5.056)  ( -0.192,   0.884,   5.057)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.973,  -1.258,   0.526)  (  6.973,  -1.258,   0.526)  ( 0.00,  0.00,  0.00)
162:     electro (  0.229,  -0.271,   0.203)  (  0.229,  -0.271,   0.203)  ( 0.00,  0.00,  0.00)
162: 40       (  0.317,   6.239, -12.048)  (  0.323,   6.243, -12.038)  ( 0.18,  0.06,  0.08)
162:     bond    ( -6.745,   3.732, -10.241)  ( -6.741,   3.733, -10.232)  ( 0.06,  0.03,  0.09)
162:     angle   (  4.852,   4.160,  -1.680)  (  4.853,   4.163,  -1.679)  ( 0.03,  0.06,  0.04)
162:     torsion (  2.807,   2.075,  -1.093)  (  2.807,   2.075,  -1.093)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qwe_gna.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qwg_g28.sdf
164:  1       ( 75.919,  23.900,  -8.357)  ( 75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
164:     bond    ( 43.256,   7.487, -14.578)  ( 43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
164:     angle   ( -0.077,   0.026,  -0.013)  ( -0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( 27.650,   7.696,  -4.671)  ( 27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
164:     torsion ( -0.018,   0.018,   0.030)  ( -0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.004,   0.006,   0.012)  ( -0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     (  5.113,   8.667,  10.865)  (  5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  2       ( -0.007,  70.694, -37.613)  (  0.000,  70.701, -37.611)  ( 0.00,  0.01,  0.01)
164:     bond    ( -0.003,  34.123, -31.161)  (  0.000,  34.128, -31.160)  ( 0.00,  0.01,  0.00)
164:     angle   ( -0.002,   0.021,  -0.051)  (  0.000,   0.022,  -0.051)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( -0.001,  24.741, -15.277)  (  0.000,  24.742, -15.276)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.007,  -0.022)  (  0.000,  -0.006,  -0.021)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.005,  -0.010)  (  0.000,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.000,  11.821,   8.908)  (  0.000,  11.821,   8.908)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  3       ( -0.007, -70.710, -37.613)  (  0.000, -70.701, -37.611)  ( 0.00,  0.01,  0.01)
164:     bond    ( -0.003, -34.133, -31.161)  (  0.000, -34.128, -31.160)  ( 0.00,  0.01,  0.00)
164:     angle   ( -0.002,  -0.024,  -0.051)  (  0.000,  -0.022,  -0.051)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( -0.001, -24.743, -15.277)  (  0.000, -24.742, -15.276)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,   0.006,  -0.022)  (  0.000,   0.006,  -0.021)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,   0.005,  -0.010)  (  0.000,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.000, -11.821,   8.908)  ( -0.000, -11.821,   8.908)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  4       ( 75.919, -23.913,  -8.357)  ( 75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
164:     bond    ( 43.256,  -7.494, -14.578)  ( 43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
164:     angle   ( -0.077,  -0.029,  -0.013)  ( -0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( 27.650,  -7.698,  -4.671)  ( 27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
164:     torsion ( -0.018,  -0.018,   0.030)  ( -0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.004,  -0.006,   0.012)  ( -0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     (  5.113,  -8.667,  10.865)  (  5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  5       (-38.554,  47.292, -52.215)  (-38.549,  47.297, -52.209)  ( 0.01,  0.01,  0.01)
164:     bond    (-12.136,  26.876, -35.755)  (-12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
164:     angle   ( -0.007,   0.078,   0.012)  ( -0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
164:     strbnd  (-12.414,  17.157, -20.001)  (-12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.017,   0.014,  -0.020)  (  0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.005,   0.002,  -0.006)  (  0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (-14.019,   3.164,   3.556)  (-14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  6       (-38.554, -47.306, -52.215)  (-38.549, -47.297, -52.209)  ( 0.01,  0.02,  0.01)
164:     bond    (-12.136, -26.884, -35.755)  (-12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
164:     angle   ( -0.007,  -0.081,   0.012)  ( -0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
164:     strbnd  (-12.414, -17.160, -20.001)  (-12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.017,  -0.014,  -0.020)  (  0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.005,  -0.002,  -0.006)  (  0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (-14.019,  -3.165,   3.556)  (-14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  7       (-75.934,  23.900,  -8.357)  (-75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
164:     bond    (-43.264,   7.487, -14.578)  (-43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
164:     angle   (  0.075,   0.026,  -0.013)  (  0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
164:     strbnd  (-27.652,   7.696,  -4.671)  (-27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
164:     torsion (  0.017,   0.018,   0.030)  (  0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.004,   0.006,   0.012)  (  0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.113,   8.667,  10.865)  ( -5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  8       (-75.934, -23.913,  -8.357)  (-75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
164:     bond    (-43.264,  -7.494, -14.578)  (-43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
164:     angle   (  0.075,  -0.029,  -0.013)  (  0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
164:     strbnd  (-27.652,  -7.698,  -4.671)  (-27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
164:     torsion (  0.017,  -0.018,   0.030)  (  0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.004,  -0.006,   0.012)  (  0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.113,  -8.667,  10.865)  ( -5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  9       ( 47.292,  52.205,  38.542)  ( 47.297,  52.209,  38.549)  ( 0.01,  0.01,  0.02)
164:     bond    ( 26.876,  35.751,  12.130)  ( 26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
164:     angle   (  0.078,  -0.014,   0.005)  (  0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( 17.157,  20.000,  12.412)  ( 17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
164:     torsion (  0.014,   0.019,  -0.017)  (  0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.002,   0.006,  -0.006)  (  0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.164,  -3.556,  14.019)  (  3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 10       (  8.348,  75.919,  23.900)  (  8.353,  75.928,  23.905)  ( 0.06,  0.01,  0.02)
164:     bond    ( 14.575,  43.256,   7.487)  ( 14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
164:     angle   (  0.011,  -0.077,   0.026)  (  0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
164:     strbnd  (  4.670,  27.650,   7.696)  (  4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
164:     torsion ( -0.031,  -0.018,   0.018)  ( -0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.012,  -0.004,   0.006)  ( -0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (-10.865,   5.113,   8.667)  (-10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 11       (  8.348, -75.934,  23.900)  (  8.353, -75.928,  23.905)  ( 0.06,  0.01,  0.02)
164:     bond    ( 14.575, -43.264,   7.487)  ( 14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
164:     angle   (  0.011,   0.075,   0.026)  (  0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
164:     strbnd  (  4.670, -27.652,   7.696)  (  4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
164:     torsion ( -0.031,   0.017,   0.018)  ( -0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.012,   0.004,   0.006)  ( -0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (-10.865,  -5.113,   8.667)  (-10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 12       ( 47.292, -52.215,  38.542)  ( 47.297, -52.209,  38.549)  ( 0.01,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qwi_g20.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qx8_ml2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qyk_npv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qzr_s79.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qzs_250.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2qzz_emf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r0u_m54.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r0y_aly.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r1n_epl.sdf
165: ok 1 # energy 
165: ----------------------------------------------------------------------------------------
165:                                                                                         
165:   VALIDATE GRADIENTS : cudpas.xyz
165:                                                                                         
165:                                                                                         
165: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
165: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r1p_dpj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r2l_pb9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r2w_4pg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r3m_scx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r3n_scz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r3p_3sc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r3q_5sc.sdf
165:  1       (  0.007,  -0.034,  -0.015)  (  0.020,  -0.030,  -0.011)  ( 0.01,  0.01,  0.01)
165:     bond    ( -0.627,  15.886,  -4.916)  ( -0.627,  15.888,  -4.911)  ( 0.02,  0.01,  0.10)
165:     angle   (  0.285,  -5.925,   1.613)  (  0.285,  -5.923,   1.613)  ( 0.00,  0.03,  0.02)
165:     strbnd  (  0.281,  -0.139,   0.833)  (  0.281,  -0.139,   0.834)  ( 0.00,  0.00,  0.06)
165:     torsion (  1.474,  -0.034,  -0.301)  (  1.475,  -0.034,  -0.301)  ( 0.05,  0.00,  0.00)
165:     oop     ( -0.070,   0.000,   0.013)  ( -0.058,   0.000,   0.010)  ( 0.08,  0.00,  0.00)
165:     vdw     (  0.215,  -8.567,   1.182)  (  0.215,  -8.567,   1.182)  ( 0.00,  0.00,  0.00)
165:     electro ( -1.551,  -1.255,   1.561)  ( -1.551,  -1.255,   1.561)  ( 0.00,  0.00,  0.00)
165:  2       (  0.000,   0.058,   0.027)  (  0.024,   0.065,   0.030)  ( 0.00,  0.04,  0.01)
165:     bond    ( -2.164,  -2.951,  -9.934)  ( -2.163,  -2.945,  -9.929)  ( 0.01,  0.20,  0.05)
165:     angle   ( -0.734,   3.034,  -3.472)  ( -0.734,   3.036,  -3.470)  ( 0.01,  0.06,  0.05)
165:     strbnd  ( -0.457,   4.090,  -1.781)  ( -0.457,   4.089,  -1.781)  ( 0.00,  0.01,  0.01)
165:     torsion ( -0.364,   0.018,   0.072)  ( -0.363,   0.018,   0.072)  ( 0.04,  0.00,  0.00)
165:     oop     ( -0.132,  -0.000,   0.028)  ( -0.109,  -0.000,   0.023)  ( 0.29,  0.00,  0.01)
165:     vdw     (  2.945,  -6.240,  14.926)  (  2.945,  -6.240,  14.926)  ( 0.00,  0.00,  0.00)
165:     electro (  0.905,   2.108,   0.188)  (  0.905,   2.108,   0.188)  ( 0.00,  0.00,  0.00)
165:  3       ( -0.013,  -0.134,  -0.004)  ( -0.081,  -0.127,   0.017)  ( 0.09,  0.09,  0.01)
165:     bond    ( -2.856,   1.520, -14.141)  ( -2.856,   1.526, -14.136)  ( 0.01,  0.37,  0.04)
165:     angle   (  0.155,   3.466,   1.738)  (  0.155,   3.468,   1.740)  ( 0.00,  0.05,  0.09)
165:     strbnd  ( -0.578,  -2.580,  -2.569)  ( -0.578,  -2.580,  -2.569)  ( 0.00,  0.01,  0.00)
165:     torsion (  5.075,   0.158,  -0.979)  (  5.077,   0.158,  -0.979)  ( 0.02,  0.00,  0.00)
165:     oop     (  0.439,   0.006,  -0.089)  (  0.369,   0.005,  -0.074)  ( 3.06,  0.00,  0.13)
165:     vdw     ( -0.451,   3.238,  15.457)  ( -0.451,   3.238,  15.457)  ( 0.00,  0.01,  0.00)
165:     electro ( -1.798,  -5.942,   0.580)  ( -1.798,  -5.942,   0.580)  ( 0.00,  0.00,  0.00)
165:  4       (  0.002,   0.065,  -0.009)  (  0.146,   0.078,   0.012)  ( 0.03,  0.08,  0.02)
165:     bond    (  0.739,  -9.087,   3.961)  (  0.739,  -9.082,   3.966)  ( 0.03,  0.05,  0.13)
165:     angle   (  9.507,   2.833,   4.739)  (  9.507,   2.835,   4.740)  ( 0.00,  0.07,  0.03)
165:     strbnd  ( -2.902,   7.782,  -9.865)  ( -2.902,   7.782,  -9.865)  ( 0.01,  0.00,  0.00)
165:     torsion ( -1.466,  -0.116,   0.262)  ( -1.465,  -0.116,   0.263)  ( 0.07,  0.00,  0.00)
165:     oop     ( -0.861,  -0.029,   0.012)  ( -0.719,  -0.023,   0.026)  (12.21,  0.02,  0.02)
165:     vdw     ( -5.002,  -2.445,  -0.447)  ( -5.002,  -2.445,  -0.447)  ( 0.00,  0.01,  0.00)
165:     electro ( -0.012,   1.128,   1.328)  ( -0.012,   1.127,   1.328)  ( 0.00,  0.00,  0.00)
165:  5       (  0.005,  -0.046,   0.001)  ( -0.130,  -0.039,   0.034)  ( 0.07,  0.03,  0.00)
165:     bond    (  3.837,  -3.968,  21.878)  (  3.837,  -3.963,  21.884)  ( 0.01,  0.13,  0.03)
165:     angle   (  0.847, -10.923,   3.951)  (  0.847, -10.921,   3.952)  ( 0.01,  0.02,  0.05)
165:     strbnd  ( -1.746,  12.103, -11.050)  ( -1.746,  12.103, -11.050)  ( 0.01,  0.00,  0.01)
165:     torsion ( -3.129,  -0.067,   0.763)  ( -3.128,  -0.067,   0.763)  ( 0.04,  0.00,  0.00)
165:     oop     (  0.796,   0.002,  -0.144)  (  0.659,   0.002,  -0.119)  (10.87,  0.00,  0.36)
165:     vdw     ( -1.003,   0.572, -15.165)  ( -1.003,   0.573, -15.165)  ( 0.00,  0.01,  0.00)
165:     electro (  0.403,   2.234,  -0.231)  (  0.403,   2.234,  -0.231)  ( 0.00,  0.00,  0.00)
165:  6       ( -0.014,   0.019,  -0.059)  ( -0.034,   0.026,  -0.048)  ( 0.03,  0.01,  0.07)
165:     bond    (  2.360,   2.726,  12.251)  (  2.360,   2.732,  12.256)  ( 0.01,  0.21,  0.04)
165:     angle   ( -0.066,   1.649,  -0.869)  ( -0.066,   1.650,  -0.868)  ( 0.00,  0.11,  0.16)
165:     strbnd  (  0.208,   6.438,   1.157)  (  0.208,   6.438,   1.157)  ( 0.00,  0.01,  0.00)
165:     torsion ( -0.540,   0.017,   0.090)  ( -0.539,   0.017,   0.090)  ( 0.06,  0.00,  0.00)
165:     oop     (  0.087,  -0.000,  -0.019)  (  0.064,  -0.000,  -0.014)  ( 0.19,  0.00,  0.01)
165:     vdw     ( -2.723, -10.804, -13.580)  ( -2.723, -10.804, -13.580)  ( 0.00,  0.00,  0.00)
165:     electro (  0.661,  -0.008,   0.910)  (  0.661,  -0.008,   0.910)  ( 0.00,  0.00,  0.00)
165:  7       ( -0.000,  -0.025,   0.003)  (  0.044,  -0.019,  -0.000)  ( 0.00,  0.02,  0.00)
165:     bond    ( -0.276,   9.120,  -8.956)  ( -0.276,   9.125,  -8.952)  ( 0.01,  0.06,  0.04)
165:     angle   ( -2.902,   6.048,  -7.259)  ( -2.902,   6.049,  -7.258)  ( 0.00,  0.01,  0.01)
165:     strbnd  (  4.031,  -4.453,  22.176)  (  4.031,  -4.453,  22.175)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.760,  -0.466,  -0.265)  (  0.760,  -0.466,  -0.265)  ( 0.02,  0.00,  0.00)
165:     oop     ( -0.230,   0.002,   0.039)  ( -0.186,   0.002,   0.031)  ( 1.01,  0.00,  0.03)
165:     vdw     (  1.328,  -4.801,  -4.259)  (  1.328,  -4.800,  -4.259)  ( 0.00,  0.00,  0.00)
165:     electro ( -2.711,  -5.475,  -1.472)  ( -2.711,  -5.475,  -1.472)  ( 0.00,  0.00,  0.00)
165:  8       ( -0.053,   0.027,  -0.033)  ( -0.216,  -0.497,  -0.226)  ( 0.87,  1.39,  0.64)
165:     bond    ( -3.938,   9.942,  -2.316)  ( -3.934,   9.949,  -2.315)  ( 0.12,  0.07,  0.05)
165:     angle   ( -3.540, -17.066,  -4.696)  ( -3.538, -17.064,  -4.695)  ( 0.04,  0.01,  0.02)
165:     strbnd  (  4.437,  -1.012,   2.201)  (  4.437,  -1.013,   2.201)  ( 0.01,  0.09,  0.00)
165:     torsion (  2.311,  -0.228,  -0.758)  (  2.312,  -0.228,  -0.757)  ( 0.01,  0.00,  0.04)
165:     oop     (  1.408,   4.166,   1.238)  (  1.240,   3.633,   1.042)  (11.95, 12.78, 15.83)
165:     vdw     ( -0.128,   4.264,   1.509)  ( -0.128,   4.264,   1.509)  ( 0.00,  0.00,  0.01)
165:     electro ( -0.604,  -0.039,   2.789)  ( -0.604,  -0.039,   2.789)  ( 0.00,  0.00,  0.00)
165:  9       (  0.038,  -0.049,   0.024)  (  0.022,  -0.042,   0.070)  ( 0.06,  0.04,  0.11)
165:     bond    ( -6.811, -11.830,  -2.866)  ( -6.806, -11.826,  -2.865)  ( 0.08,  0.03,  0.04)
165:     angle   ( -5.541,  23.308,  -2.368)  ( -5.540,  23.310,  -2.368)  ( 0.01,  0.01,  0.01)
165:     strbnd  ( -9.346, -15.538,  -3.964)  ( -9.346, -15.538,  -3.964)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.130,   0.142,  -0.104)  ( -0.130,   0.142,  -0.103)  ( 0.00,  0.00,  0.01)
165:     oop     (  0.089,  -0.009,  -0.185)  (  0.068,  -0.007,  -0.140)  ( 0.19,  0.00,  0.82)
165:     vdw     (  4.010,   3.065,   1.034)  (  4.010,   3.065,   1.034)  ( 0.00,  0.00,  0.00)
165:     electro ( 17.767,   0.813,   8.478)  ( 17.767,   0.813,   8.478)  ( 0.00,  0.00,  0.00)
165: 10       ( -0.019,   0.024,  -0.011)  ( -0.016,   0.025,  -0.010)  ( 0.01,  0.00,  0.00)
165:     bond    ( -2.271,   0.707,  -0.996)  ( -2.268,   0.707,  -0.996)  ( 0.12,  0.02,  0.05)
165:     angle   ( -3.799, -14.334,  -1.531)  ( -3.799, -14.334,  -1.531)  ( 0.00,  0.00,  0.00)
165:     strbnd  ( -3.911,   0.756,  -1.713)  ( -3.911,   0.756,  -1.713)  ( 0.00,  0.01,  0.00)
165:     torsion ( -1.084,   0.022,   2.483)  ( -1.084,   0.022,   2.483)  ( 0.00,  0.00,  0.01)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( 12.753,  14.661,   1.096)  ( 12.753,  14.662,   1.096)  ( 0.00,  0.00,  0.00)
165:     electro ( -1.708,  -1.788,   0.651)  ( -1.708,  -1.788,   0.651)  ( 0.00,  0.00,  0.00)
165: 11       (  0.015,  -0.026,   0.001)  (  0.771,   2.628,   0.451)  ( 1.12,  6.89,  0.06)
165:     bond    (  3.189,  -2.270,  -2.910)  (  3.195,  -2.269,  -2.901)  ( 0.19,  0.03,  0.31)
165:     angle   (-10.982,  12.274, -10.144)  (-10.980,  12.275, -10.142)  ( 0.02,  0.01,  0.02)
165:     strbnd  (  9.932,  -4.142,   5.975)  (  9.932,  -4.142,   5.974)  ( 0.01,  0.00,  0.01)
165:     torsion (  1.366,   0.855,  -1.969)  (  1.366,   0.855,  -1.969)  ( 0.00,  0.01,  0.00)
165:     oop     ( -4.523, -15.083,  -2.694)  ( -3.775, -12.431,  -2.255)  (16.55, 17.58, 16.29)
165:     vdw     ( -4.277,   7.452,   2.371)  ( -4.277,   7.452,   2.371)  ( 0.00,  0.00,  0.00)
165:     electro (  5.310,   0.888,   9.373)  (  5.310,   0.888,   9.373)  ( 0.00,  0.00,  0.00)
165: 12       ( -0.011,   0.000,   0.007)  ( -0.290,  -1.084,  -0.175)  ( 0.29,  0.02,  0.14)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r40_20e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r4f_rie.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r59_ph0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r5n_rp5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r5q_1un.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r64_740.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r6w_llb.sdf
162:     vdw     ( -0.707,  -3.828,   0.904)  ( -0.707,  -3.828,   0.904)  ( 0.00,  0.00,  0.00)
162:     electro (  0.110,   0.099,   0.061)  (  0.110,   0.099,   0.061)  ( 0.00,  0.00,  0.00)
162: 41       ( -2.273,  10.453,   6.209)  ( -2.268,  10.457,   6.219)  ( 0.24,  0.04,  0.16)
162:     bond    ( -5.788,   3.588,   9.319)  ( -5.784,   3.590,   9.329)  ( 0.06,  0.04,  0.10)
162:     angle   (  8.488,  16.065,  -0.919)  (  8.490,  16.067,  -0.919)  ( 0.02,  0.01,  0.07)
162:     torsion ( -3.730,  -1.289,  -1.817)  ( -3.730,  -1.289,  -1.817)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.346,  -7.951,  -0.446)  ( -1.346,  -7.950,  -0.446)  ( 0.00,  0.00,  0.00)
162:     electro (  0.103,   0.039,   0.071)  (  0.103,   0.039,   0.071)  ( 0.00,  0.00,  0.00)
162: 42       ( -3.377,   4.884,  -9.057)  ( -3.374,   4.887,  -9.044)  ( 0.09,  0.05,  0.15)
162:     bond    (  1.963,   0.521, -10.197)  (  1.964,   0.521, -10.183)  ( 0.03,  0.00,  0.13)
162:     angle   ( -9.996,   8.198,  -1.508)  ( -9.994,   8.200,  -1.507)  ( 0.02,  0.03,  0.01)
162:     torsion ( -0.144,   6.172,   0.288)  ( -0.145,   6.172,   0.288)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.858,  -9.999,   2.352)  (  4.858,  -9.999,   2.352)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.058,  -0.008,   0.007)  ( -0.058,  -0.008,   0.007)  ( 0.00,  0.00,  0.00)
162: 43       ( -3.105,   8.144,  -3.972)  ( -3.101,   8.156,  -3.969)  ( 0.14,  0.14,  0.08)
162:     bond    ( -3.568,   8.130,   2.505)  ( -3.565,   8.141,   2.507)  ( 0.06,  0.14,  0.04)
162:     angle   (  1.193,   4.827, -13.981)  (  1.195,   4.828, -13.979)  ( 0.17,  0.01,  0.02)
162:     torsion ( -2.182,  -2.621,   5.410)  ( -2.182,  -2.621,   5.410)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.453,  -2.137,   2.022)  (  1.453,  -2.137,   2.022)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.001,  -0.054,   0.073)  ( -0.001,  -0.054,   0.073)  ( 0.00,  0.00,  0.00)
162: 44       (-10.784,   4.905,  -2.290)  (-10.780,   4.909,  -2.279)  ( 0.03,  0.09,  0.48)
162:     bond    ( -1.245,  -1.494,  -3.293)  ( -1.244,  -1.492,  -3.283)  ( 0.12,  0.15,  0.32)
162:     angle   ( -7.495,  16.263,  -4.553)  ( -7.493,  16.265,  -4.552)  ( 0.03,  0.01,  0.01)
162:     torsion ( -3.199,  -2.788,   2.479)  ( -3.199,  -2.788,   2.479)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.131,  -7.171,   3.119)  (  1.131,  -7.171,   3.119)  ( 0.01,  0.00,  0.00)
162:     electro (  0.025,   0.096,  -0.043)  (  0.025,   0.096,  -0.043)  ( 0.00,  0.00,  0.00)
162: 45       ( -5.582,   7.292,   6.953)  ( -5.572,   7.295,   6.958)  ( 0.18,  0.05,  0.08)
162:     bond    (-10.157,   4.382,   6.381)  (-10.148,   4.383,   6.385)  ( 0.09,  0.04,  0.06)
162:     angle   ( -1.443,  -0.968,  -1.632)  ( -1.443,  -0.966,  -1.630)  ( 0.06,  0.20,  0.11)
162:     torsion (  2.298,   4.300,   0.702)  (  2.298,   4.299,   0.701)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.614,  -0.509,   1.475)  (  3.614,  -0.509,   1.475)  ( 0.00,  0.01,  0.00)
162:     electro (  0.107,   0.087,   0.027)  (  0.107,   0.087,   0.027)  ( 0.00,  0.00,  0.00)
162: 46       (  1.502,  -2.484,  22.995)  (  1.505,  -2.479,  23.008)  ( 0.19,  0.19,  0.06)
162:     bond    ( -3.493,   9.127,  26.544)  ( -3.492,   9.129,  26.556)  ( 0.01,  0.02,  0.05)
162:     angle   ( -3.216,   8.998,  -3.517)  ( -3.214,   9.000,  -3.516)  ( 0.07,  0.03,  0.01)
162:     torsion (  1.122,  -6.958,   2.539)  (  1.122,  -6.958,   2.539)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  7.029, -13.585,  -2.478)  (  7.029, -13.584,  -2.478)  ( 0.00,  0.01,  0.00)
162:     electro (  0.060,  -0.066,  -0.093)  (  0.060,  -0.066,  -0.093)  ( 0.00,  0.00,  0.00)
162: 47       ( 12.368,  -4.506,  -9.860)  ( 12.376,  -4.499,  -9.853)  ( 0.06,  0.14,  0.07)
162:     bond    (  3.308,  -3.151,  -3.452)  (  3.313,  -3.147,  -3.447)  ( 0.14,  0.14,  0.15)
162:     angle   ( -8.806, -11.034,   1.609)  ( -8.804, -11.032,   1.611)  ( 0.02,  0.02,  0.09)
162:     torsion (  0.935,  -1.718,   2.467)  (  0.935,  -1.718,   2.467)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 17.166,  11.473, -10.633)  ( 17.167,  11.474, -10.632)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.235,  -0.076,   0.149)  ( -0.235,  -0.076,   0.149)  ( 0.00,  0.00,  0.00)
162: 48       ( -8.697,   6.010,  -3.440)  ( -8.690,   6.018,  -3.435)  ( 0.08,  0.12,  0.15)
162:     bond    ( -5.745,   6.100,   4.627)  ( -5.740,   6.106,   4.630)  ( 0.09,  0.09,  0.07)
162:     angle   ( -1.120,   0.588,  -2.166)  ( -1.118,   0.590,  -2.164)  ( 0.15,  0.08,  0.07)
162:     torsion ( -2.382,   2.622,  -6.411)  ( -2.382,   2.622,  -6.411)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.557,  -3.149,   0.414)  (  0.557,  -3.149,   0.414)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.007,  -0.151,   0.096)  ( -0.007,  -0.151,   0.096)  ( 0.00,  0.00,  0.00)
162: 49       (  4.913,  -4.170, -18.999)  (  4.916,  -4.167, -18.986)  ( 0.05,  0.08,  0.07)
162:     bond    ( -1.163,   3.976, -17.396)  ( -1.163,   3.976, -17.383)  ( 0.01,  0.02,  0.08)
162:     angle   ( -1.866,  -8.632,  -1.849)  ( -1.864,  -8.630,  -1.849)  ( 0.13,  0.03,  0.01)
162:     torsion (  4.281,  -3.420,  -1.069)  (  4.281,  -3.420,  -1.069)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.684,   4.030,   1.201)  (  3.684,   4.030,   1.201)  ( 0.00,  0.01,  0.00)
162:     electro ( -0.022,  -0.124,   0.114)  ( -0.022,  -0.124,   0.114)  ( 0.00,  0.00,  0.00)
162: 50       ( -2.928,  -5.591, -15.480)  ( -2.923,  -5.584, -15.471)  ( 0.15,  0.12,  0.05)
162:     bond    (  5.810,  -8.644, -10.914)  (  5.813,  -8.639, -10.907)  ( 0.04,  0.05,  0.07)
162:     angle   ( -1.237,   2.617,  -2.734)  ( -1.235,   2.619,  -2.733)  ( 0.17,  0.06,  0.04)
162:     torsion ( -3.418,   2.575,  -3.861)  ( -3.418,   2.575,  -3.861)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.067,  -2.271,   2.010)  ( -4.067,  -2.271,   2.010)  ( 0.00,  0.01,  0.00)
162:     electro ( -0.016,   0.132,   0.019)  ( -0.016,   0.132,   0.019)  ( 0.00,  0.00,  0.00)
162: 51       ( 19.616,  -0.297,   9.656)  ( 19.620,  -0.292,   9.667)  ( 0.02,  0.13,  0.12)
162:     bond    ( -1.047,   1.371,  -3.118)  ( -1.046,   1.373,  -3.107)  ( 0.12,  0.15,  0.35)
162:     angle   (-19.284, -11.124,   1.573)  (-19.282, -11.122,   1.574)  ( 0.01,  0.02,  0.03)
162:     torsion (  4.242,  -4.702,  -3.506)  (  4.242,  -4.702,  -3.506)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 35.747,  14.123,  14.700)  ( 35.748,  14.124,  14.700)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.042,   0.035,   0.006)  ( -0.042,   0.035,   0.006)  ( 0.00,  0.00,  0.00)
162: 52       (-13.704,   6.920,  -1.069)  (-13.701,   6.923,  -1.057)  ( 0.03,  0.05,  1.14)
162:     bond    ( -3.332,   2.481,  -9.253)  ( -3.330,   2.482,  -9.241)  ( 0.05,  0.04,  0.13)
162:     angle   ( -2.775,   9.142,   3.455)  ( -2.773,   9.144,   3.455)  ( 0.08,  0.02,  0.01)
162:     torsion ( -4.300,   1.076,   1.838)  ( -4.300,   1.076,   1.838)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.362,  -5.634,   2.789)  ( -3.362,  -5.634,   2.789)  ( 0.00,  0.00,  0.00)
162:     electro (  0.065,  -0.146,   0.101)  (  0.065,  -0.146,   0.101)  ( 0.00,  0.00,  0.00)
162: 53       ( -6.772,   4.115,  19.114)  ( -6.767,   4.123,  19.121)  ( 0.07,  0.20,  0.04)
162:     bond    ( -7.768,  13.770,  12.651)  ( -7.765,  13.777,  12.656)  ( 0.03,  0.05,  0.04)
162:     angle   ( -6.357,  -8.669,   5.534)  ( -6.355,  -8.668,   5.535)  ( 0.03,  0.02,  0.02)
164:     bond    ( 26.876, -35.755,  12.130)  ( 26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
164:     angle   (  0.078,   0.012,   0.005)  (  0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( 17.157, -20.001,  12.412)  ( 17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
164:     torsion (  0.014,  -0.020,  -0.017)  (  0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.002,  -0.006,  -0.006)  (  0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.164,   3.556,  14.019)  (  3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 13       ( 52.205, -38.554, -47.306)  ( 52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
164:     bond    ( 35.751, -12.136, -26.884)  ( 35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
164:     angle   ( -0.014,  -0.007,  -0.081)  ( -0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( 20.000, -12.414, -17.160)  ( 20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
164:     torsion (  0.019,   0.017,  -0.014)  (  0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.006,   0.005,  -0.002)  (  0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.556, -14.019,  -3.165)  ( -3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 14       (-23.913,   8.348, -75.934)  (-23.905,   8.353, -75.928)  ( 0.03,  0.06,  0.01)
164:     bond    ( -7.494,  14.575, -43.264)  ( -7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
164:     angle   ( -0.029,   0.011,   0.075)  ( -0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( -7.698,   4.670, -27.652)  ( -7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.018,  -0.031,   0.017)  ( -0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.006,  -0.012,   0.004)  ( -0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -8.667, -10.865,  -5.113)  ( -8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 15       ( 52.205, -38.554,  47.292)  ( 52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
164:     bond    ( 35.751, -12.136,  26.876)  ( 35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
164:     angle   ( -0.014,  -0.007,   0.078)  ( -0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( 20.000, -12.414,  17.157)  ( 20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
164:     torsion (  0.019,   0.017,   0.014)  (  0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.006,   0.005,   0.002)  (  0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.556, -14.019,   3.164)  ( -3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 16       (-70.710,  37.607,  -0.007)  (-70.701,  37.611,  -0.000)  ( 0.01,  0.01,  0.00)
164:     bond    (-34.133,  31.159,  -0.003)  (-34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
164:     angle   ( -0.024,   0.050,  -0.002)  ( -0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
164:     strbnd  (-24.743,  15.275,  -0.001)  (-24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.006,   0.020,  -0.000)  (  0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.005,   0.010,  -0.000)  (  0.005,   0.011,  -0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (-11.821,  -8.908,  -0.000)  (-11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 17       ( 38.542, -47.306, -52.215)  ( 38.549, -47.297, -52.209)  ( 0.02,  0.02,  0.01)
164:     bond    ( 12.130, -26.884, -35.755)  ( 12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
164:     angle   (  0.005,  -0.081,   0.012)  (  0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
164:     strbnd  ( 12.412, -17.160, -20.001)  ( 12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.017,  -0.014,  -0.020)  ( -0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.006,  -0.002,  -0.006)  ( -0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 14.019,  -3.165,   3.556)  ( 14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 18       (-47.306,  52.205,  38.542)  (-47.297,  52.209,  38.549)  ( 0.02,  0.01,  0.02)
164:     bond    (-26.884,  35.751,  12.130)  (-26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
164:     angle   ( -0.081,  -0.014,   0.005)  ( -0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
164:     strbnd  (-17.160,  20.000,  12.412)  (-17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
164:     torsion ( -0.014,   0.019,  -0.017)  ( -0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.002,   0.006,  -0.006)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.165,  -3.556,  14.019)  ( -3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 19       (-23.913,   8.348,  75.919)  (-23.905,   8.353,  75.928)  ( 0.03,  0.06,  0.01)
164:     bond    ( -7.494,  14.575,  43.256)  ( -7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
164:     angle   ( -0.029,   0.011,  -0.077)  ( -0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( -7.698,   4.670,  27.650)  ( -7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.018,  -0.031,  -0.018)  ( -0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.006,  -0.012,  -0.004)  ( -0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -8.667, -10.865,   5.113)  ( -8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 20       ( 23.900,   8.348, -75.934)  ( 23.905,   8.353, -75.928)  ( 0.02,  0.06,  0.01)
164:     bond    (  7.487,  14.575, -43.264)  (  7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
164:     angle   (  0.026,   0.011,   0.075)  (  0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
164:     strbnd  (  7.696,   4.670, -27.652)  (  7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.018,  -0.031,   0.017)  (  0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.006,  -0.012,   0.004)  (  0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     (  8.667, -10.865,  -5.113)  (  8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 21       ( 38.542,  47.292, -52.215)  ( 38.549,  47.297, -52.209)  ( 0.02,  0.01,  0.01)
164:     bond    ( 12.130,  26.876, -35.755)  ( 12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
164:     angle   (  0.005,   0.078,   0.012)  (  0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
164:     strbnd  ( 12.412,  17.157, -20.001)  ( 12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.017,   0.014,  -0.020)  ( -0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.006,   0.002,  -0.006)  ( -0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 14.019,   3.164,   3.556)  ( 14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 22       ( 37.607,  -0.007,  70.694)  ( 37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
164:     bond    ( 31.159,  -0.003,  34.123)  ( 31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
164:     angle   (  0.050,  -0.002,   0.021)  (  0.051,   0.000,   0.022)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( 15.275,  -0.001,  24.741)  ( 15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.020,  -0.000,  -0.007)  (  0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.010,  -0.000,  -0.005)  (  0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -8.908,  -0.000,  11.821)  ( -8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 23       ( 52.205,  38.542, -47.306)  ( 52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
164:     bond    ( 35.751,  12.130, -26.884)  ( 35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
165:     bond    ( 10.583,  -1.441,  -7.782)  ( 10.587,  -1.441,  -7.780)  ( 0.04,  0.01,  0.03)
165:     angle   (  6.221,  -3.313,   9.078)  (  6.221,  -3.312,   9.079)  ( 0.01,  0.00,  0.01)
165:     strbnd  (  0.003,  -0.237,   0.497)  (  0.003,  -0.237,   0.497)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.228,  -0.717,  -0.178)  ( -0.228,  -0.717,  -0.178)  ( 0.00,  0.00,  0.00)
165:     oop     (  1.512,   5.503,   1.038)  (  1.228,   4.419,   0.853)  (18.78, 19.70, 17.87)
165:     vdw     ( -3.491,   1.297,  -0.137)  ( -3.491,   1.297,  -0.137)  ( 0.00,  0.00,  0.00)
165:     electro (-14.610,  -1.093,  -2.508)  (-14.609,  -1.093,  -2.508)  ( 0.00,  0.00,  0.00)
165: 13       ( -0.004,   0.006,  -0.028)  ( -0.292,  -1.034,  -0.161)  ( 0.12,  0.58,  0.38)
165:     bond    ( -0.347,  -2.236,  17.411)  ( -0.347,  -2.236,  17.418)  ( 0.00,  0.01,  0.04)
165:     angle   (  8.341,  -2.202,  -0.117)  (  8.342,  -2.202,  -0.117)  ( 0.01,  0.01,  0.00)
165:     strbnd  (  0.537,  -0.164,  -1.098)  (  0.537,  -0.164,  -1.098)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.007,   0.019,   0.003)  (  0.007,   0.019,   0.003)  ( 0.00,  0.00,  0.00)
165:     oop     (  1.643,   5.440,   0.731)  (  1.355,   4.400,   0.592)  (17.57, 19.11, 10.18)
165:     vdw     ( -4.303,   6.079,  -2.483)  ( -4.303,   6.079,  -2.483)  ( 0.00,  0.00,  0.00)
165:     electro ( -5.883,  -6.929, -14.476)  ( -5.883,  -6.929, -14.476)  ( 0.00,  0.00,  0.00)
165: 14       ( -0.006,   0.009,  -0.025)  ( -0.009,   0.010,  -0.021)  ( 0.00,  0.00,  0.01)
165:     bond    ( -0.262,   0.572,  -1.210)  ( -0.262,   0.573,  -1.207)  ( 0.00,  0.04,  0.25)
165:     angle   (  0.025,   0.262,   0.119)  (  0.025,   0.263,   0.119)  ( 0.00,  0.02,  0.00)
165:     strbnd  ( -0.068,  -0.555,  -0.311)  ( -0.068,  -0.555,  -0.311)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.529,  -0.000,   0.115)  ( -0.529,  -0.000,   0.115)  ( 0.01,  0.00,  0.00)
165:     oop     (  0.026,   0.000,  -0.006)  (  0.022,   0.000,  -0.005)  ( 0.01,  0.00,  0.00)
165:     vdw     (  0.090,  -0.573,   0.418)  (  0.090,  -0.573,   0.418)  ( 0.00,  0.00,  0.00)
165:     electro (  0.711,   0.304,   0.851)  (  0.711,   0.304,   0.851)  ( 0.00,  0.00,  0.00)
165: 15       (  0.011,   0.025,   0.020)  (  0.026,   0.027,   0.019)  ( 0.02,  0.00,  0.00)
165:     bond    ( -0.317,  -1.110,  -1.455)  ( -0.317,  -1.109,  -1.453)  ( 0.00,  0.12,  0.16)
165:     angle   (  0.046,  -0.282,   0.205)  (  0.046,  -0.282,   0.205)  ( 0.00,  0.01,  0.00)
165:     strbnd  ( -0.095,   0.271,  -0.498)  ( -0.095,   0.271,  -0.498)  ( 0.00,  0.00,  0.00)
165:     torsion ( -1.381,   0.015,   0.290)  ( -1.380,   0.015,   0.290)  ( 0.02,  0.00,  0.00)
165:     oop     ( -0.079,   0.000,   0.017)  ( -0.065,   0.000,   0.014)  ( 0.11,  0.00,  0.01)
165:     vdw     ( -0.910,  -2.950,   3.814)  ( -0.910,  -2.950,   3.814)  ( 0.00,  0.00,  0.00)
165:     electro (  2.748,   4.081,  -2.353)  (  2.748,   4.081,  -2.353)  ( 0.00,  0.00,  0.00)
165: 16       ( -0.000,  -0.001,   0.020)  (  0.015,   0.001,   0.020)  ( 0.00,  0.00,  0.00)
165:     bond    (  0.218,   1.033,   1.174)  (  0.219,   1.034,   1.176)  ( 0.00,  0.16,  0.18)
165:     angle   ( -0.076,   0.463,  -0.393)  ( -0.076,   0.463,  -0.393)  ( 0.00,  0.02,  0.01)
165:     strbnd  (  0.016,  -0.834,   0.057)  (  0.016,  -0.834,   0.057)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.089,  -0.002,   0.018)  ( -0.089,  -0.002,   0.018)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.109,   0.000,   0.020)  ( -0.094,   0.000,   0.017)  ( 0.17,  0.00,  0.01)
165:     vdw     (  0.013,  -2.157,   0.235)  (  0.013,  -2.157,   0.235)  ( 0.00,  0.00,  0.00)
165:     electro (  0.026,   1.497,  -1.090)  (  0.026,   1.496,  -1.090)  ( 0.00,  0.00,  0.00)
165: 17       ( -0.000,   0.006,  -0.002)  ( -0.000,   0.011,  -0.001)  ( 0.00,  0.00,  0.00)
165:     bond    ( -1.080,  -6.670,   0.744)  ( -1.080,  -6.665,   0.744)  ( 0.02,  0.08,  0.01)
165:     angle   (  2.207,   0.691,   9.393)  (  2.207,   0.691,   9.393)  ( 0.00,  0.00,  0.00)
165:     strbnd  ( -0.344,  -1.784,  -0.047)  ( -0.344,  -1.784,  -0.047)  ( 0.00,  0.00,  0.00)
165:     torsion ( -2.062,   0.385,   0.456)  ( -2.062,   0.385,   0.456)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.933,  -2.094,  -5.972)  (  0.933,  -2.094,  -5.971)  ( 0.00,  0.00,  0.00)
165:     electro (  0.346,   9.478,  -4.577)  (  0.346,   9.478,  -4.577)  ( 0.00,  0.00,  0.00)
165: ok 2 # gradients 
165: ok 3 # energy 
165: ----------------------------------------------------------------------------------------
165:                                                                                         
165:   VALIDATE GRADIENTS : fadvub.xyz
165:                                                                                         
165:                                                                                         
165: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
165: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r6y_llc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r7b_253.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r8o_t5x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r8p_t6f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r9c_grd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r9k_sgi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r9m_y11.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r9n_y14.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r9o_y15.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r9s_255.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r9s_tfa.sdf
165:  1       (  0.032,  -0.022,  -0.017)  (  0.040,  -0.014,  -0.012)  ( 0.03,  0.02,  0.01)
165:     bond    (  4.193,  -0.133,   4.673)  (  4.200,  -0.126,   4.676)  ( 0.15,  0.09,  0.07)
165:     angle   (-17.099,  -3.471,  -8.358)  (-17.096,  -3.469,  -8.356)  ( 0.01,  0.07,  0.03)
165:     strbnd  (  4.695,   5.793,   5.057)  (  4.694,   5.792,   5.057)  ( 0.02,  0.01,  0.01)
165:     torsion ( -0.415,  -0.232,   3.381)  ( -0.415,  -0.232,   3.381)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.119,  -2.488,  -2.762)  ( -0.119,  -2.488,  -2.762)  ( 0.00,  0.00,  0.00)
165:     electro (  8.777,   0.508,  -2.008)  (  8.777,   0.508,  -2.008)  ( 0.00,  0.00,  0.00)
165:  2       ( -0.013,   0.003,   0.000)  ( -0.008,   0.006,   0.001)  ( 0.01,  0.00,  0.00)
165:     bond    (  1.103,  -0.872,   0.032)  (  1.108,  -0.869,   0.032)  ( 0.43,  0.26,  0.00)
165:     angle   (  5.971,   7.760,   4.115)  (  5.971,   7.760,   4.115)  ( 0.00,  0.01,  0.02)
165:     strbnd  ( -1.798,   1.228,  -0.204)  ( -1.798,   1.228,  -0.204)  ( 0.00,  0.01,  0.00)
165:     torsion ( -0.240,  -0.377,  -1.934)  ( -0.240,  -0.377,  -1.934)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -3.447,  -0.778,  -4.529)  ( -3.447,  -0.778,  -4.529)  ( 0.00,  0.00,  0.00)
165:     electro ( -1.601,  -6.958,   2.522)  ( -1.601,  -6.958,   2.522)  ( 0.00,  0.00,  0.00)
165:  3       ( -0.004,   0.032,   0.024)  ( -0.000,   0.037,   0.026)  ( 0.00,  0.02,  0.00)
165:     bond    (  2.117,   3.479,   0.356)  (  2.120,   3.484,   0.357)  ( 0.15,  0.14,  0.04)
165:     angle   (  5.205,   1.489,   6.637)  (  5.206,   1.489,   6.638)  ( 0.02,  0.02,  0.01)
165:     strbnd  (  0.649,  -4.129,  -1.875)  (  0.649,  -4.130,  -1.875)  ( 0.00,  0.01,  0.01)
165:     torsion ( -1.574,   1.955,  -4.025)  ( -1.574,   1.955,  -4.025)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -1.957,  -2.115,  -2.420)  ( -1.957,  -2.115,  -2.420)  ( 0.00,  0.00,  0.00)
165:     electro ( -4.445,  -0.646,   1.351)  ( -4.445,  -0.646,   1.351)  ( 0.00,  0.00,  0.00)
165:  4       (  0.013,   0.008,   0.009)  (  0.018,   0.014,   0.015)  ( 0.01,  0.00,  0.01)
165:     bond    ( -4.350,  -2.902,   1.332)  ( -4.346,  -2.898,   1.336)  ( 0.09,  0.15,  0.33)
165:     angle   (  2.535,   3.636,  -0.898)  (  2.537,   3.638,  -0.897)  ( 0.07,  0.05,  0.15)
165:     strbnd  ( -0.741,  -1.162,   0.765)  ( -0.742,  -1.163,   0.764)  ( 0.06,  0.04,  0.04)
165:     torsion (  0.668,  -0.672,   0.545)  (  0.668,  -0.672,   0.545)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.251,   0.436,  -2.285)  (  0.251,   0.436,  -2.285)  ( 0.00,  0.00,  0.00)
165:     electro (  1.651,   0.673,   0.551)  (  1.651,   0.673,   0.551)  ( 0.00,  0.00,  0.00)
165:  5       ( -0.017,  -0.028,  -0.024)  ( -0.011,  -0.023,  -0.020)  ( 0.01,  0.01,  0.01)
165:     bond    ( -5.276,  10.539,   0.735)  ( -5.272,  10.543,   0.738)  ( 0.08,  0.04,  0.23)
165:     angle   (  5.214, -11.328,   4.079)  (  5.216, -11.326,   4.081)  ( 0.04,  0.02,  0.05)
165:     strbnd  (  0.208,   1.026,  -1.791)  (  0.207,   1.025,  -1.792)  ( 0.01,  0.09,  0.06)
165:     torsion (  1.012,   1.023,  -1.293)  (  1.012,   1.023,  -1.293)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -3.996,  -2.526,  -2.331)  ( -3.996,  -2.526,  -2.331)  ( 0.00,  0.00,  0.00)
165:     electro (  2.822,   1.238,   0.577)  (  2.822,   1.238,   0.577)  ( 0.00,  0.00,  0.00)
165:  6       (  0.047,   0.015,  -0.035)  (  0.053,   0.020,  -0.030)  ( 0.03,  0.01,  0.02)
165:     bond    (  3.643,  -8.573,  -2.156)  (  3.647,  -8.569,  -2.152)  ( 0.12,  0.05,  0.18)
165:     angle   ( -3.553,  12.963,  -7.820)  ( -3.551,  12.965,  -7.818)  ( 0.05,  0.02,  0.03)
165:     strbnd  (  3.941,  -0.711,   4.570)  (  3.941,  -0.712,   4.569)  ( 0.01,  0.05,  0.02)
165:     torsion ( -0.466,  -2.160,   2.319)  ( -0.466,  -2.160,   2.319)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -3.518,  -1.505,   3.052)  ( -3.518,  -1.505,   3.052)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:  7       (  0.020,   0.062,  -0.058)  ( -0.071,   0.288,  -0.172)  ( 0.18,  1.40,  0.66)
165:     bond    ( 11.219,  18.634,   3.192)  ( 11.222,  18.638,   3.196)  ( 0.03,  0.02,  0.12)
165:     angle   ( -2.190, -11.744,   1.811)  ( -2.188, -11.742,   1.813)  ( 0.09,  0.02,  0.12)
165:     strbnd  ( -6.827,  -7.330,  -8.396)  ( -6.828,  -7.331,  -8.397)  ( 0.01,  0.01,  0.01)
165:     torsion ( -2.070,   0.870,   0.194)  ( -2.070,   0.870,   0.194)  ( 0.00,  0.00,  0.00)
165:     oop     (  1.043,  -2.385,   1.346)  (  0.948,  -2.164,   1.226)  ( 9.15,  9.24,  8.89)
165:     vdw     ( -0.143,   1.896,   2.023)  ( -0.143,   1.896,   2.023)  ( 0.00,  0.00,  0.00)
165:     electro ( -1.011,   0.120,  -0.229)  ( -1.011,   0.120,  -0.229)  ( 0.00,  0.00,  0.00)
165:  8       ( -0.037,  -0.036,   0.030)  ( -0.030,  -0.029,   0.037)  ( 0.03,  0.02,  0.02)
165:     bond    ( 31.436,  -5.462,  -8.582)  ( 31.441,  -5.456,  -8.577)  ( 0.02,  0.09,  0.06)
165:     angle   ( 24.318,   2.673, -13.460)  ( 24.320,   2.675, -13.458)  ( 0.01,  0.08,  0.02)
165:     strbnd  ( -3.349,   3.958,   4.185)  ( -3.349,   3.958,   4.185)  ( 0.01,  0.01,  0.01)
165:     torsion (  0.865,   0.668,  -0.128)  (  0.865,   0.668,  -0.128)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (-15.296,  -0.490,   6.181)  (-15.295,  -0.490,   6.182)  ( 0.00,  0.00,  0.00)
165:     electro (-38.012,  -1.383,  11.833)  (-38.012,  -1.383,  11.833)  ( 0.00,  0.01,  0.00)
165:  9       ( -0.084,   0.011,   0.103)  (  0.977,  -2.037,   1.266)  ( 8.96,  2.15, 12.00)
165:     bond    (-24.944,   7.709,  33.079)  (-24.940,   7.712,  33.088)  ( 0.01,  0.04,  0.03)
165:     angle   (-17.079,   0.187,  13.198)  (-17.077,   0.188,  13.199)  ( 0.01,  0.02,  0.01)
165:     strbnd  ( 11.466,  -5.334, -19.281)  ( 11.465,  -5.335, -19.282)  ( 0.01,  0.01,  0.01)
165:     torsion (  0.142,  -0.694,  -0.397)  (  0.142,  -0.694,  -0.396)  ( 0.00,  0.00,  0.00)
165:     oop     ( -4.647,   9.685,  -5.474)  ( -3.590,   7.635,  -4.320)  (22.74, 21.18, 21.08)
165:     vdw     (  6.485,  -1.479,  -2.117)  (  6.485,  -1.479,  -2.117)  ( 0.00,  0.00,  0.00)
165:     electro ( 28.493, -10.064, -18.905)  ( 28.493, -10.064, -18.904)  ( 0.00,  0.00,  0.00)
165: 10       (  0.052,  -0.027,  -0.107)  ( -0.475,   0.999,  -0.671)  ( 2.75,  2.73,  6.04)
165:     bond    (  7.223,  -4.901, -15.530)  (  7.224,  -4.900, -15.524)  ( 0.02,  0.01,  0.04)
165:     angle   ( -0.823,   0.087,  -0.410)  ( -0.822,   0.087,  -0.410)  ( 0.06,  0.00,  0.00)
165:     strbnd  ( -5.921,   2.262,   9.306)  ( -5.920,   2.262,   9.306)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.293,   0.686,  -0.353)  ( -0.293,   0.686,  -0.353)  ( 0.00,  0.00,  0.00)
165:     oop     (  1.878,  -3.841,   2.086)  (  1.349,  -2.816,   1.517)  (28.20, 26.69, 27.32)
165:     vdw     ( 10.301,   3.828,   1.517)  ( 10.301,   3.828,   1.517)  ( 0.00,  0.00,  0.00)
165:     electro (-12.313,   1.852,   3.276)  (-12.313,   1.852,   3.276)  ( 0.00,  0.00,  0.00)
165: 11       (  0.001,  -0.001,  -0.007)  ( -0.428,   0.808,  -0.467)  ( 0.06,  0.12,  0.34)
165:     bond    ( -5.364, -10.247, -12.843)  ( -5.364, -10.244, -12.839)  ( 0.01,  0.02,  0.03)
165:     angle   ( 17.615,   2.690,  -9.506)  ( 17.616,   2.690,  -9.506)  ( 0.00,  0.00,  0.00)
165:     strbnd  ( -0.975,   4.889,   8.707)  ( -0.975,   4.889,   8.707)  ( 0.01,  0.00,  0.00)
165:     torsion (  0.208,  -0.464,   0.284)  (  0.208,  -0.464,   0.284)  ( 0.00,  0.00,  0.00)
165:     oop     (  1.725,  -3.462,   2.041)  (  1.294,  -2.654,   1.578)  (24.99, 23.32, 22.72)
165:     vdw     ( 20.549,   2.004,  -4.094)  ( 20.550,   2.004,  -4.094)  ( 0.00,  0.00,  0.00)
165:     electro (-33.756,   4.588,  15.404)  (-33.756,   4.588,  15.404)  ( 0.00,  0.00,  0.00)
165: 12       ( -0.014,  -0.020,  -0.003)  ( -0.011,  -0.018,  -0.003)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r9w_23c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2r9x_wh6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rah_11p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rbe_zmg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rch_243.sdf
165:     bond    ( -2.108,  -1.364,   0.667)  ( -2.104,  -1.362,   0.667)  ( 0.15,  0.09,  0.02)
165:     angle   (  1.431,  -3.486,  -2.605)  (  1.431,  -3.486,  -2.605)  ( 0.00,  0.01,  0.01)
165:     strbnd  ( -0.286,  -0.078,   0.143)  ( -0.286,  -0.077,   0.143)  ( 0.00,  0.00,  0.00)
165:     torsion (  1.600,  -1.233,   2.529)  (  1.600,  -1.233,   2.529)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.031,  -0.022,  -0.112)  ( -0.031,  -0.022,  -0.112)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.620,   6.163,  -0.625)  ( -0.620,   6.163,  -0.625)  ( 0.00,  0.00,  0.00)
165: 13       ( -0.027,   0.011,  -0.004)  ( -0.024,   0.012,  -0.004)  ( 0.01,  0.00,  0.00)
165:     bond    (  0.777,  -0.529,   0.119)  (  0.779,  -0.528,   0.119)  ( 0.18,  0.06,  0.00)
165:     angle   ( -0.885,  -1.096,   0.925)  ( -0.884,  -1.096,   0.926)  ( 0.01,  0.03,  0.04)
165:     strbnd  ( -1.504,   0.684,  -0.090)  ( -1.504,   0.684,  -0.090)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.038,  -0.109,  -0.234)  ( -0.038,  -0.109,  -0.234)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.623,   1.061,  -0.724)  (  1.623,   1.061,  -0.724)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 14       ( -0.007,  -0.027,  -0.010)  ( -0.006,  -0.024,  -0.009)  ( 0.00,  0.01,  0.00)
165:     bond    (  0.115,   1.126,   0.629)  (  0.115,   1.129,   0.630)  ( 0.00,  0.23,  0.05)
165:     angle   ( -0.934,  -0.881,   1.748)  ( -0.934,  -0.881,   1.748)  ( 0.05,  0.01,  0.02)
165:     strbnd  ( -0.363,  -1.245,  -0.504)  ( -0.363,  -1.245,  -0.504)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.233,   0.175,  -0.272)  ( -0.233,   0.175,  -0.272)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.409,   0.798,  -1.611)  (  1.409,   0.798,  -1.611)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 15       ( -0.001,  -0.003,  -0.008)  ( -0.000,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.078,   0.087,  -0.487)  ( -0.077,   0.087,  -0.484)  ( 0.00,  0.00,  0.16)
165:     angle   ( -0.356,  -1.049,  -0.131)  ( -0.355,  -1.048,  -0.131)  ( 0.02,  0.04,  0.00)
165:     strbnd  ( -0.107,  -0.325,   1.008)  ( -0.107,  -0.325,   1.008)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.227,   0.446,   0.116)  ( -0.227,   0.446,   0.116)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.767,   0.838,  -0.514)  (  0.767,   0.839,  -0.514)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 16       ( -0.007,   0.000,   0.002)  ( -0.004,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
165:     bond    (  0.169,  -0.061,   0.004)  (  0.172,  -0.060,   0.004)  ( 0.05,  0.00,  0.00)
165:     angle   (  1.751,   5.151,   2.051)  (  1.751,   5.151,   2.052)  ( 0.00,  0.01,  0.03)
165:     strbnd  ( -0.007,   0.573,  -0.048)  ( -0.007,   0.573,  -0.048)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.110,  -0.369,  -0.744)  ( -0.110,  -0.369,  -0.744)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -1.811,  -5.293,  -1.262)  ( -1.811,  -5.293,  -1.262)  ( 0.00,  0.00,  0.01)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 17       ( -0.003,  -0.013,   0.004)  ( -0.001,  -0.011,   0.005)  ( 0.00,  0.00,  0.00)
165:     bond    (  1.206,   1.529,  -0.696)  (  1.207,   1.530,  -0.695)  ( 0.10,  0.12,  0.03)
165:     angle   ( -0.729,  -0.235,  -1.783)  ( -0.729,  -0.235,  -1.782)  ( 0.02,  0.01,  0.03)
165:     strbnd  ( -0.850,  -0.116,   0.251)  ( -0.850,  -0.116,   0.251)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.296,   0.197,   0.948)  (  0.296,   0.197,   0.948)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.074,  -1.387,   1.283)  (  0.074,  -1.387,   1.284)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 18       ( -0.002,  -0.011,   0.015)  ( -0.001,  -0.009,   0.017)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.434,  -2.155,   1.394)  ( -0.434,  -2.153,   1.395)  ( 0.00,  0.11,  0.07)
165:     angle   (  1.665,  -1.741,  -2.169)  (  1.666,  -1.741,  -2.169)  ( 0.03,  0.01,  0.02)
165:     strbnd  (  0.479,   0.577,  -0.839)  (  0.479,   0.577,  -0.839)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.578,  -0.321,  -0.316)  (  0.578,  -0.321,  -0.316)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -2.290,   3.630,   1.944)  ( -2.290,   3.630,   1.945)  ( 0.00,  0.00,  0.01)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 19       ( -0.048,  -0.003,   0.010)  ( -0.045,  -0.002,   0.010)  ( 0.02,  0.00,  0.00)
165:     bond    (  3.011,  -0.074,  -0.795)  (  3.014,  -0.074,  -0.795)  ( 0.10,  0.00,  0.02)
165:     angle   (  0.861,   0.161,   3.246)  (  0.861,   0.162,   3.247)  ( 0.00,  0.01,  0.02)
165:     strbnd  ( -1.180,  -0.479,   0.265)  ( -1.180,  -0.479,   0.265)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.346,   0.357,  -1.346)  ( -0.346,   0.357,  -1.346)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -2.394,   0.033,  -1.359)  ( -2.394,   0.033,  -1.359)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 20       ( -0.003,  -0.042,   0.032)  ( -0.002,  -0.039,   0.034)  ( 0.00,  0.01,  0.00)
165:     bond    ( -0.042,   1.240,  -0.654)  ( -0.042,   1.243,  -0.653)  ( 0.00,  0.21,  0.05)
165:     angle   ( -0.781,  -1.615,  -3.020)  ( -0.780,  -1.614,  -3.020)  ( 0.04,  0.01,  0.02)
165:     strbnd  ( -0.130,   0.941,   1.010)  ( -0.130,   0.941,   1.010)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.609,   0.345,   0.616)  (  0.609,   0.345,   0.616)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.342,  -0.953,   2.080)  (  0.342,  -0.953,   2.080)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 21       (  0.012,   0.012,  -0.003)  (  0.014,   0.013,  -0.002)  ( 0.00,  0.00,  0.00)
165:     bond    (-16.919,  -7.195,  -8.595)  (-16.917,  -7.195,  -8.594)  ( 0.02,  0.01,  0.01)
165:     angle   ( -8.625,   3.959,  13.661)  ( -8.625,   3.959,  13.662)  ( 0.00,  0.01,  0.00)
165:     strbnd  (  0.614,  -0.231,  -0.297)  (  0.614,  -0.231,  -0.297)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.035,  -0.717,   0.668)  ( -0.035,  -0.717,   0.668)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -6.207,   2.647,   6.206)  ( -6.207,   2.647,   6.206)  ( 0.00,  0.00,  0.00)
165:     electro ( 31.183,   1.549, -11.648)  ( 31.183,   1.549, -11.648)  ( 0.00,  0.01,  0.00)
165: 22       (  0.006,   0.001,  -0.013)  (  0.008,   0.003,  -0.011)  ( 0.00,  0.00,  0.00)
165:     bond    ( -4.934,  -3.520,   6.017)  ( -4.932,  -3.519,   6.019)  ( 0.03,  0.02,  0.04)
165:     angle   ( -3.213,   0.593,  -2.286)  ( -3.213,   0.593,  -2.286)  ( 0.01,  0.03,  0.01)
165:     strbnd  (  1.267,  -0.292,  -1.268)  (  1.267,  -0.292,  -1.268)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.847,   0.124,  -0.622)  ( -0.847,   0.124,  -0.622)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.353,   0.460,   0.417)  ( -0.353,   0.460,   0.417)  ( 0.00,  0.00,  0.00)
165:     electro (  8.086,   2.636,  -2.271)  (  8.086,   2.636,  -2.271)  ( 0.00,  0.00,  0.00)
165: 23       (  0.007,   0.003,  -0.009)  (  0.008,   0.006,  -0.008)  ( 0.00,  0.00,  0.00)
165:     bond    ( -1.822,   3.586,  -1.944)  ( -1.821,   3.589,  -1.943)  ( 0.04,  0.08,  0.04)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rcw_aai.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rdd_aic.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rdn_1pl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rdt_2rd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2re8_gsu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rew_rew.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rf2_mrx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rfh_23n.sdf
162:     torsion (  3.944,   1.224,   1.087)  (  3.944,   1.224,   1.087)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.332,  -2.032,  -0.117)  (  3.332,  -2.032,  -0.117)  ( 0.00,  0.01,  0.00)
162:     electro (  0.077,  -0.179,  -0.041)  (  0.077,  -0.179,  -0.041)  ( 0.00,  0.00,  0.00)
162: 54       ( -9.251,  -2.073,  15.373)  ( -9.249,  -2.071,  15.387)  ( 0.03,  0.14,  0.09)
162:     bond    ( -1.729,   0.440,  19.656)  ( -1.729,   0.440,  19.670)  ( 0.01,  0.00,  0.07)
162:     angle   ( -0.508,  -2.205,   0.005)  ( -0.506,  -2.203,   0.005)  ( 0.12,  0.12,  0.00)
162:     torsion ( -7.215,  -1.283,  -0.605)  ( -7.215,  -1.283,  -0.605)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.152,   0.997,  -3.350)  (  0.152,   0.997,  -3.350)  ( 0.00,  0.01,  0.00)
162:     electro (  0.049,  -0.022,  -0.333)  (  0.049,  -0.022,  -0.333)  ( 0.00,  0.00,  0.00)
162: 55       (  2.696,  -3.472,  -0.969)  (  2.709,  -3.469,  -0.965)  ( 0.49,  0.08,  0.30)
162:     bond    ( -0.003,   0.001,   0.002)  (  0.010,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
162:     angle   (  0.968, -19.998,   2.649)  (  0.968, -19.996,   2.651)  ( 0.02,  0.01,  0.07)
162:     torsion (  0.546,   0.938,  -2.130)  (  0.546,   0.938,  -2.130)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.265,  15.526,  -1.506)  (  1.265,  15.526,  -1.506)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.079,   0.063,   0.017)  ( -0.079,   0.063,   0.017)  ( 0.00,  0.00,  0.00)
162: 56       ( -7.342, -13.590,  -2.119)  ( -7.340, -13.587,  -2.105)  ( 0.03,  0.02,  0.64)
162:     bond    ( -0.228,  -1.518,  -7.046)  ( -0.228,  -1.517,  -7.032)  ( 0.00,  0.04,  0.19)
162:     angle   (  1.375, -14.093,   2.995)  (  1.377, -14.091,   2.995)  ( 0.16,  0.01,  0.00)
162:     torsion ( -2.507,  -1.771,   0.463)  ( -2.507,  -1.771,   0.463)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -5.863,   3.701,   1.444)  ( -5.863,   3.701,   1.444)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.119,   0.091,   0.025)  ( -0.119,   0.091,   0.025)  ( 0.00,  0.00,  0.00)
162: 57       ( -3.437, -13.153,  10.542)  ( -3.433, -13.143,  10.547)  ( 0.12,  0.07,  0.05)
162:     bond    ( -7.015, -14.859,   9.112)  ( -7.013, -14.850,   9.116)  ( 0.03,  0.06,  0.04)
162:     angle   (  5.572,  -2.900,  -0.436)  (  5.574,  -2.899,  -0.434)  ( 0.03,  0.03,  0.07)
162:     torsion (  1.664,   0.516,   2.120)  (  1.664,   0.516,   2.120)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.550,   3.955,  -0.253)  ( -3.550,   3.955,  -0.253)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.108,   0.135,  -0.002)  ( -0.108,   0.135,  -0.002)  ( 0.00,  0.00,  0.00)
162: 58       ( -8.967,  -0.985,  -4.497)  ( -8.961,  -0.975,  -4.494)  ( 0.07,  0.96,  0.06)
162:     bond    ( -3.054,   4.137,   0.969)  ( -3.049,   4.146,   0.970)  ( 0.16,  0.21,  0.05)
162:     angle   (-10.621,  -6.790,  -4.360)  (-10.619,  -6.789,  -4.358)  ( 0.01,  0.01,  0.05)
162:     torsion (  0.462,   0.660,  -1.369)  (  0.462,   0.660,  -1.369)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.078,   1.000,   0.239)  (  4.078,   1.001,   0.239)  ( 0.00,  0.00,  0.00)
162:     electro (  0.167,   0.007,   0.023)  (  0.167,   0.007,   0.023)  ( 0.00,  0.00,  0.00)
162: 59       ( -9.358, -11.621,   0.696)  ( -9.353, -11.611,   0.700)  ( 0.05,  0.08,  0.29)
162:     bond    ( -6.959, -12.644,   6.347)  ( -6.957, -12.635,   6.349)  ( 0.04,  0.07,  0.04)
162:     angle   ( -7.398,   0.405,  -7.299)  ( -7.396,   0.405,  -7.297)  ( 0.02,  0.03,  0.02)
162:     torsion ( -0.575,   0.888,   1.138)  ( -0.575,   0.888,   1.138)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.404,  -0.292,   0.487)  (  5.404,  -0.292,   0.487)  ( 0.00,  0.00,  0.00)
162:     electro (  0.171,   0.023,   0.023)  (  0.171,   0.023,   0.023)  ( 0.00,  0.00,  0.00)
162: 60       ( -3.589,  -9.768,  -9.617)  ( -3.587,  -9.766,  -9.603)  ( 0.07,  0.02,  0.14)
162:     bond    (  0.325,  -1.894, -13.079)  (  0.325,  -1.894, -13.065)  ( 0.00,  0.02,  0.11)
162:     angle   (-10.501,  -5.287,   0.505)  (-10.499,  -5.285,   0.505)  ( 0.02,  0.04,  0.00)
162:     torsion (  0.134,  -1.812,   0.266)  (  0.134,  -1.811,   0.266)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.306,  -0.790,   2.628)  (  6.306,  -0.790,   2.628)  ( 0.00,  0.00,  0.00)
162:     electro (  0.147,   0.015,   0.063)  (  0.147,   0.015,   0.063)  ( 0.00,  0.00,  0.00)
162: 61       (  1.131,  -1.661,   5.517)  (  1.143,  -1.658,   5.521)  ( 1.07,  0.18,  0.07)
162:     bond    (  0.790,   0.192,   0.327)  (  0.801,   0.193,   0.329)  ( 0.91,  0.01,  0.06)
162:     angle   ( -1.535, -14.190,  12.056)  ( -1.535, -14.188,  12.058)  ( 0.03,  0.01,  0.02)
162:     torsion ( -1.058,   2.524,   1.095)  ( -1.058,   2.524,   1.095)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.958,   9.790,  -7.974)  (  2.958,   9.790,  -7.974)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.024,   0.022,   0.013)  ( -0.024,   0.022,   0.013)  ( 0.00,  0.00,  0.00)
162: 62       (-18.793,  -8.916,  -2.322)  (-18.790,  -8.902,  -2.319)  ( 0.02,  0.16,  0.11)
162:     bond    ( -0.155,  -1.815,   0.061)  ( -0.155,  -1.801,   0.061)  ( 0.00,  0.77,  0.00)
162:     angle   ( 11.176,  -0.415,  16.278)  ( 11.178,  -0.415,  16.280)  ( 0.02,  0.00,  0.01)
162:     torsion (  3.102,  -0.284,  -0.492)  (  3.102,  -0.284,  -0.492)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-32.887,  -6.407, -18.129)  (-32.886,  -6.407, -18.129)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.028,   0.005,  -0.039)  ( -0.028,   0.005,  -0.039)  ( 0.00,  0.00,  0.00)
162: 63       ( -9.679,   4.907,   3.945)  ( -9.671,   4.911,   3.952)  ( 0.08,  0.08,  0.18)
162:     bond    ( -9.380,   5.378,   8.317)  ( -9.373,   5.380,   8.322)  ( 0.07,  0.04,  0.06)
162:     angle   (  2.019,  -0.632,   2.681)  (  2.020,  -0.630,   2.682)  ( 0.05,  0.11,  0.06)
162:     torsion ( -1.826,  -2.219,  -0.622)  ( -1.826,  -2.219,  -0.622)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.491,   2.299,  -6.394)  ( -0.491,   2.299,  -6.394)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.001,   0.081,  -0.036)  ( -0.001,   0.081,  -0.036)  ( 0.00,  0.00,  0.00)
162: 64       ( 14.765,  -3.549,   0.688)  ( 14.779,  -3.547,   0.692)  ( 0.09,  0.07,  0.24)
162:     bond    (  5.465,   0.880,  -1.324)  (  5.478,   0.880,  -1.323)  ( 0.24,  0.03,  0.06)
162:     angle   ( -3.603, -13.053, -23.595)  ( -3.602, -13.051, -23.593)  ( 0.01,  0.02,  0.01)
162:     torsion (  0.640,  -2.270,   1.141)  (  0.640,  -2.270,   1.141)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 12.181,  10.982,  24.513)  ( 12.181,  10.982,  24.513)  ( 0.00,  0.00,  0.00)
162:     electro (  0.082,  -0.088,  -0.046)  (  0.082,  -0.088,  -0.046)  ( 0.00,  0.00,  0.00)
162: 65       (  3.892,  10.006,  -9.110)  (  3.898,  10.011,  -9.101)  ( 0.15,  0.04,  0.10)
162:     bond    ( -2.770,   2.059,  -3.865)  ( -2.766,   2.061,  -3.858)  ( 0.15,  0.11,  0.20)
162:     angle   ( 15.805, -10.041, -16.698)  ( 15.807, -10.039, -16.697)  ( 0.01,  0.02,  0.01)
162:     torsion (  1.831,   1.886,  -0.305)  (  1.831,   1.887,  -0.305)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-10.990,  16.110,  11.893)  (-10.990,  16.110,  11.894)  ( 0.00,  0.00,  0.00)
162:     electro (  0.017,  -0.008,  -0.136)  (  0.017,  -0.008,  -0.136)  ( 0.00,  0.00,  0.00)
162: 66       ( -9.115,  -9.006,  -1.471)  ( -9.113,  -8.992,  -1.468)  ( 0.03,  0.15,  0.18)
162:     bond    ( -0.323,  -2.331,  -0.063)  ( -0.323,  -2.317,  -0.063)  ( 0.01,  0.59,  0.00)
164:     angle   ( -0.014,   0.005,  -0.081)  ( -0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( 20.000,  12.412, -17.160)  ( 20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
164:     torsion (  0.019,  -0.017,  -0.014)  (  0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.006,  -0.006,  -0.002)  (  0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.556,  14.019,  -3.165)  ( -3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 24       ( -8.357, -75.934,  23.900)  ( -8.353, -75.928,  23.905)  ( 0.04,  0.01,  0.02)
164:     bond    (-14.578, -43.264,   7.487)  (-14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
164:     angle   ( -0.013,   0.075,   0.026)  ( -0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
164:     strbnd  ( -4.671, -27.652,   7.696)  ( -4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
164:     torsion (  0.030,   0.017,   0.018)  (  0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.012,   0.004,   0.006)  (  0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 10.865,  -5.113,   8.667)  ( 10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 25       (-23.913,  -8.357, -75.934)  (-23.905,  -8.353, -75.928)  ( 0.03,  0.04,  0.01)
164:     bond    ( -7.494, -14.578, -43.264)  ( -7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
164:     angle   ( -0.029,  -0.013,   0.075)  ( -0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( -7.698,  -4.671, -27.652)  ( -7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.018,   0.030,   0.017)  ( -0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.006,   0.012,   0.004)  ( -0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -8.667,  10.865,  -5.113)  ( -8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 26       (-47.306, -52.215,  38.542)  (-47.297, -52.209,  38.549)  ( 0.02,  0.01,  0.02)
164:     bond    (-26.884, -35.755,  12.130)  (-26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
164:     angle   ( -0.081,   0.012,   0.005)  ( -0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
164:     strbnd  (-17.160, -20.001,  12.412)  (-17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
164:     torsion ( -0.014,  -0.020,  -0.017)  ( -0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.002,  -0.006,  -0.006)  ( -0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.165,   3.556,  14.019)  ( -3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 27       ( 52.205,  38.542,  47.292)  ( 52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
164:     bond    ( 35.751,  12.130,  26.876)  ( 35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
164:     angle   ( -0.014,   0.005,   0.078)  ( -0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( 20.000,  12.412,  17.157)  ( 20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
164:     torsion (  0.019,  -0.017,   0.014)  (  0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.006,  -0.006,   0.002)  (  0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.556,  14.019,   3.164)  ( -3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 28       (-70.710, -37.613,  -0.007)  (-70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
164:     bond    (-34.133, -31.161,  -0.003)  (-34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
164:     angle   ( -0.024,  -0.051,  -0.002)  ( -0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
164:     strbnd  (-24.743, -15.277,  -0.001)  (-24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.006,  -0.022,  -0.000)  (  0.006,  -0.021,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.005,  -0.010,  -0.000)  (  0.005,  -0.011,  -0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (-11.821,   8.908,  -0.000)  (-11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 29       ( 23.900,  -8.357, -75.934)  ( 23.905,  -8.353, -75.928)  ( 0.02,  0.04,  0.01)
164:     bond    (  7.487, -14.578, -43.264)  (  7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
164:     angle   (  0.026,  -0.013,   0.075)  (  0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
164:     strbnd  (  7.696,  -4.671, -27.652)  (  7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.018,   0.030,   0.017)  (  0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.006,   0.012,   0.004)  (  0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     (  8.667,  10.865,  -5.113)  (  8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 30       ( 70.694,  37.607,  -0.007)  ( 70.701,  37.611,   0.000)  ( 0.01,  0.01,  0.00)
164:     bond    ( 34.123,  31.159,  -0.003)  ( 34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
164:     angle   (  0.021,   0.050,  -0.002)  (  0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( 24.741,  15.275,  -0.001)  ( 24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.007,   0.020,  -0.000)  ( -0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.005,   0.010,  -0.000)  ( -0.005,   0.011,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 11.821,  -8.908,  -0.000)  ( 11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 31       ( 37.607,  -0.007, -70.710)  ( 37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
164:     bond    ( 31.159,  -0.003, -34.133)  ( 31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
164:     angle   (  0.050,  -0.002,  -0.024)  (  0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( 15.275,  -0.001, -24.743)  ( 15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.020,  -0.000,   0.006)  (  0.021,  -0.000,   0.006)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.010,  -0.000,   0.005)  (  0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -8.908,  -0.000, -11.821)  ( -8.908,   0.000, -11.821)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 32       ( -8.357,  75.919,  23.900)  ( -8.353,  75.928,  23.905)  ( 0.04,  0.01,  0.02)
164:     bond    (-14.578,  43.256,   7.487)  (-14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
164:     angle   ( -0.013,  -0.077,   0.026)  ( -0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
164:     strbnd  ( -4.671,  27.650,   7.696)  ( -4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
164:     torsion (  0.030,  -0.018,   0.018)  (  0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.012,  -0.004,   0.006)  (  0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 10.865,   5.113,   8.667)  ( 10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 33       (-23.913,  -8.357,  75.919)  (-23.905,  -8.353,  75.928)  ( 0.03,  0.04,  0.01)
164:     bond    ( -7.494, -14.578,  43.256)  ( -7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
164:     angle   ( -0.029,  -0.013,  -0.077)  ( -0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( -7.698,  -4.671,  27.650)  ( -7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.018,   0.030,  -0.018)  ( -0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.006,   0.012,  -0.004)  ( -0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -8.667,  10.865,   5.113)  ( -8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 34       ( 70.694, -37.613,  -0.007)  ( 70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
164:     bond    ( 34.123, -31.161,  -0.003)  ( 34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
164:     angle   (  0.021,  -0.051,  -0.002)  (  0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( 24.741, -15.277,  -0.001)  ( 24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rfn_am7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rfs_am8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rg5_279.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rg6_287.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rgp_hyz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rgu_356.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rhr_emo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rht_c1e.sdf
165:     angle   (-10.320,  -4.719,   0.955)  (-10.319,  -4.719,   0.956)  ( 0.01,  0.00,  0.04)
165:     strbnd  (  0.722,  -0.493,  -0.668)  (  0.722,  -0.493,  -0.668)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.917,   0.500,   0.064)  (  0.917,   0.500,   0.064)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.240,   1.405,   1.413)  ( -0.240,   1.405,   1.413)  ( 0.00,  0.00,  0.00)
165:     electro ( 10.749,  -0.275,   0.171)  ( 10.749,  -0.275,   0.171)  ( 0.00,  0.00,  0.00)
165: ok 4 # gradients 
165: ok 5 # energy 
165: ----------------------------------------------------------------------------------------
165:                                                                                         
165:   VALIDATE GRADIENTS : fiybiy.xyz
165:                                                                                         
165:                                                                                         
165: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
165: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rhu_mly.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rhw_c0e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rhy_mlz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ria_289.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rib_gmh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rid_291.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rie_293.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rip_34q.sdf
165:  1       ( -0.037,   0.000,  -0.051)  ( -0.039,   0.006,  -0.047)  ( 0.01,  0.00,  0.02)
165:     bond    (  7.810,  -1.840,   7.980)  (  7.815,  -1.832,   7.984)  ( 0.05,  0.48,  0.05)
165:     angle   ( -4.687,  -2.600,  -7.659)  ( -4.685,  -2.598,  -7.656)  ( 0.05,  0.09,  0.03)
165:     strbnd  (  1.520,  -7.648,  19.637)  (  1.519,  -7.649,  19.636)  ( 0.05,  0.01,  0.00)
165:     torsion (  0.281,  -0.182,  -0.226)  (  0.281,  -0.182,  -0.226)  ( 0.00,  0.00,  0.00)
165:     oop     (  0.047,   0.028,   0.008)  (  0.040,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
165:     vdw     ( -0.861,  -7.381,   0.991)  ( -0.861,  -7.381,   0.991)  ( 0.00,  0.00,  0.01)
165:     electro ( -4.147,  19.624, -20.782)  ( -4.147,  19.624, -20.782)  ( 0.00,  0.00,  0.00)
165:  2       (  0.015,  -0.021,  -0.013)  (  0.016,  -0.015,  -0.011)  ( 0.00,  0.01,  0.00)
165:     bond    (  0.188,  -1.235,  -0.576)  (  0.188,  -1.229,  -0.574)  ( 0.00,  0.51,  0.08)
165:     angle   (  2.833,  -2.246,   5.734)  (  2.833,  -2.246,   5.734)  ( 0.02,  0.01,  0.01)
165:     strbnd  (  0.058,  -0.206,   0.531)  (  0.058,  -0.206,   0.531)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.582,  -0.145,   0.120)  ( -0.582,  -0.145,   0.120)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -2.490,  -0.763,  -6.600)  ( -2.490,  -0.763,  -6.600)  ( 0.00,  0.00,  0.00)
165:     electro (  0.009,   4.575,   0.778)  (  0.009,   4.575,   0.778)  ( 0.00,  0.00,  0.00)
165:  3       ( -0.083,   0.019,  -0.119)  ( -0.123,   0.094,  -0.069)  ( 0.34,  0.14,  0.60)
165:     bond    ( -1.055,   0.134,  -1.295)  ( -1.051,   0.134,  -1.289)  ( 0.35,  0.00,  0.43)
165:     angle   ( -0.395,  -0.549,   0.265)  ( -0.395,  -0.548,   0.265)  ( 0.02,  0.03,  0.01)
165:     strbnd  ( -4.612,   1.446,  -7.083)  ( -4.612,   1.446,  -7.083)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.187,   0.312,   0.185)  ( -0.187,   0.312,   0.185)  ( 0.00,  0.00,  0.00)
165:     oop     (  0.225,  -0.371,  -0.222)  (  0.180,  -0.296,  -0.178)  ( 1.01,  2.75,  0.99)
165:     vdw     ( -0.123,   0.138,  -0.190)  ( -0.123,   0.138,  -0.190)  ( 0.00,  0.00,  0.00)
165:     electro (  6.064,  -1.092,   8.221)  (  6.064,  -1.092,   8.221)  ( 0.00,  0.00,  0.00)
165:  4       ( -0.072,  -0.017,  -0.030)  ( -0.094,   0.028,  -0.000)  ( 0.16,  0.08,  0.09)
165:     bond    ( -0.836,  -8.517,  13.382)  ( -0.832,  -8.516,  13.384)  ( 0.33,  0.01,  0.02)
165:     angle   (  7.130,   8.296, -11.537)  (  7.131,   8.297, -11.535)  ( 0.00,  0.01,  0.01)
165:     strbnd  ( -2.982,  -0.215,  -2.921)  ( -2.982,  -0.215,  -2.921)  ( 0.00,  0.00,  0.01)
165:     torsion (  0.423,   0.846,  -0.211)  (  0.423,   0.846,  -0.211)  ( 0.00,  0.01,  0.00)
165:     oop     (  0.186,  -0.302,  -0.180)  (  0.159,  -0.259,  -0.154)  ( 0.49,  1.29,  0.46)
165:     vdw     ( -2.535,   5.528,  -3.997)  ( -2.535,   5.528,  -3.997)  ( 0.00,  0.00,  0.00)
165:     electro ( -1.458,  -5.655,   5.433)  ( -1.458,  -5.655,   5.433)  ( 0.00,  0.00,  0.00)
165:  5       (  0.010,   0.036,  -0.046)  ( -0.018,   0.093,  -0.011)  ( 0.03,  0.20,  0.16)
165:     bond    ( -5.684,   0.935,   3.018)  ( -5.681,   0.938,   3.021)  ( 0.04,  0.31,  0.10)
165:     angle   ( 19.037,   0.921,   3.045)  ( 19.039,   0.921,   3.046)  ( 0.01,  0.05,  0.03)
165:     strbnd  ( -4.528,   0.738,   3.763)  ( -4.528,   0.738,   3.763)  ( 0.01,  0.01,  0.00)
165:     torsion (  0.060,   0.659,   0.624)  (  0.060,   0.659,   0.624)  ( 0.00,  0.00,  0.00)
165:     oop     (  0.189,  -0.311,  -0.184)  (  0.157,  -0.258,  -0.153)  ( 0.60,  1.64,  0.57)
165:     vdw     (-16.349, -10.170, -11.577)  (-16.349, -10.170, -11.576)  ( 0.00,  0.00,  0.00)
165:     electro (  7.284,   7.264,   1.264)  (  7.284,   7.264,   1.264)  ( 0.00,  0.00,  0.00)
165:  6       ( -0.067,   0.088,   0.083)  ( -0.052,   0.101,   0.090)  ( 0.10,  0.11,  0.06)
165:     bond    ( -0.701,  -2.222,  11.603)  ( -0.699,  -2.218,  11.607)  ( 0.11,  0.18,  0.03)
165:     angle   ( -0.364,  -2.925,  13.817)  ( -0.363,  -2.923,  13.819)  ( 0.02,  0.05,  0.01)
165:     strbnd  (  0.639,   2.955, -12.934)  (  0.639,   2.955, -12.935)  ( 0.00,  0.00,  0.00)
165:     torsion (  2.329,   1.562,   0.380)  (  2.330,   1.562,   0.380)  ( 0.03,  0.02,  0.00)
165:     oop     ( -0.074,  -0.043,  -0.014)  ( -0.062,  -0.036,  -0.012)  ( 0.09,  0.03,  0.00)
165:     vdw     ( -1.895,   0.720, -12.746)  ( -1.895,   0.720, -12.746)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.002,   0.041,  -0.023)  ( -0.002,   0.041,  -0.023)  ( 0.00,  0.00,  0.00)
165:  7       (  0.013,  -0.054,   0.044)  (  0.021,  -0.046,   0.052)  ( 0.01,  0.04,  0.03)
165:     bond    ( -7.170,  10.526,   6.570)  ( -7.169,  10.530,   6.576)  ( 0.02,  0.04,  0.08)
165:     angle   (  2.588,  -3.055,  -4.852)  (  2.588,  -3.053,  -4.850)  ( 0.02,  0.04,  0.03)
165:     strbnd  ( -1.496,   3.392,  -2.547)  ( -1.496,   3.392,  -2.547)  ( 0.00,  0.00,  0.01)
165:     torsion ( -1.418,  -0.816,  -0.200)  ( -1.417,  -0.816,  -0.200)  ( 0.07,  0.03,  0.00)
165:     oop     ( -0.027,  -0.014,  -0.002)  ( -0.022,  -0.012,  -0.002)  ( 0.01,  0.00,  0.00)
165:     vdw     (  6.692,  -9.975,  -2.511)  (  6.692,  -9.975,  -2.511)  ( 0.00,  0.00,  0.01)
165:     electro (  0.844,  -0.112,   3.586)  (  0.844,  -0.112,   3.586)  ( 0.00,  0.00,  0.00)
165:  8       ( -0.029,   0.068,  -0.054)  ( -0.019,   0.078,  -0.046)  ( 0.03,  0.07,  0.04)
165:     bond    ( -5.733,  10.916,  -5.111)  ( -5.731,  10.920,  -5.106)  ( 0.03,  0.04,  0.10)
165:     angle   ( -0.069,   0.148,  -0.147)  ( -0.069,   0.149,  -0.145)  ( 0.00,  0.02,  0.02)
165:     strbnd  (  0.254,  -0.317,  -0.321)  (  0.254,  -0.317,  -0.321)  ( 0.00,  0.00,  0.01)
165:     torsion ( -0.506,  -0.295,  -0.082)  ( -0.505,  -0.294,  -0.082)  ( 0.05,  0.01,  0.00)
165:     oop     ( -0.039,  -0.023,  -0.006)  ( -0.033,  -0.019,  -0.005)  ( 0.03,  0.01,  0.00)
165:     vdw     (  5.846, -11.080,   5.290)  (  5.846, -11.080,   5.290)  ( 0.00,  0.00,  0.00)
165:     electro (  0.218,   0.720,   0.323)  (  0.218,   0.720,   0.323)  ( 0.00,  0.00,  0.00)
165:  9       ( -0.014,   0.016,  -0.063)  (  0.004,   0.030,  -0.053)  ( 0.02,  0.02,  0.06)
165:     bond    (  0.583,   2.170, -13.287)  (  0.585,   2.174, -13.282)  ( 0.09,  0.18,  0.04)
165:     angle   (  0.007,  -0.113,   0.340)  (  0.007,  -0.112,   0.341)  ( 0.00,  0.01,  0.06)
165:     strbnd  (  0.032,  -0.099,   0.170)  (  0.032,  -0.099,   0.170)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.193,  -0.115,  -0.023)  ( -0.192,  -0.114,  -0.023)  ( 0.02,  0.00,  0.00)
165:     oop     ( -0.086,  -0.051,  -0.013)  ( -0.072,  -0.043,  -0.011)  ( 0.13,  0.04,  0.00)
165:     vdw     ( -0.816,  -2.222,  14.046)  ( -0.816,  -2.222,  14.046)  ( 0.00,  0.00,  0.00)
165:     electro (  0.459,   0.446,  -1.294)  (  0.459,   0.446,  -1.294)  ( 0.00,  0.00,  0.00)
165: 10       (  0.012,  -0.026,   0.043)  (  0.023,  -0.017,   0.051)  ( 0.01,  0.03,  0.03)
165:     bond    (  6.512,  -8.973,  -7.628)  (  6.514,  -8.969,  -7.623)  ( 0.03,  0.05,  0.07)
165:     angle   (  0.058,  -0.079,  -0.055)  (  0.058,  -0.078,  -0.054)  ( 0.00,  0.01,  0.01)
165:     strbnd  ( -0.185,   0.392,  -0.179)  ( -0.185,   0.392,  -0.179)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.572,  -0.345,  -0.095)  ( -0.571,  -0.345,  -0.095)  ( 0.05,  0.01,  0.00)
165:     oop     ( -0.040,  -0.024,  -0.007)  ( -0.032,  -0.020,  -0.005)  ( 0.03,  0.01,  0.00)
165:     vdw     ( -6.571,   9.136,   7.766)  ( -6.571,   9.136,   7.766)  ( 0.00,  0.00,  0.00)
165:     electro (  0.809,  -0.133,   0.241)  (  0.809,  -0.133,   0.241)  ( 0.00,  0.00,  0.00)
165: 11       (  0.067,  -0.113,  -0.076)  (  0.083,  -0.099,  -0.068)  ( 0.11,  0.16,  0.06)
165:     bond    (  6.849, -12.437,   4.398)  (  6.851, -12.433,   4.404)  ( 0.02,  0.03,  0.12)
165:     angle   ( -2.678,   5.816,  -4.951)  ( -2.677,   5.818,  -4.949)  ( 0.02,  0.02,  0.03)
165:     strbnd  (  2.697,  -3.157,  -4.284)  (  2.697,  -3.158,  -4.284)  ( 0.00,  0.00,  0.00)
165:     torsion ( -1.703,  -1.064,  -0.247)  ( -1.702,  -1.063,  -0.247)  ( 0.06,  0.03,  0.00)
165:     oop     ( -0.078,  -0.050,  -0.010)  ( -0.065,  -0.042,  -0.009)  ( 0.10,  0.04,  0.00)
165:     vdw     ( -5.728,  10.270,   1.476)  ( -5.728,  10.270,   1.476)  ( 0.00,  0.00,  0.01)
165:     electro (  0.708,   0.510,   3.541)  (  0.708,   0.510,   3.542)  ( 0.00,  0.00,  0.00)
165: 12       (  0.104,  -0.040,   0.163)  (  0.215,  -0.206,   0.071)  ( 1.16,  0.66,  1.49)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rj4_ad7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rjp_886.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rkd_3pp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rke_sat.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rki_tt1.sdf
165:     bond    ( 13.123,   9.974,  -3.258)  ( 13.130,   9.977,  -3.250)  ( 0.05,  0.02,  0.25)
165:     angle   (-14.649,   0.422,   3.858)  (-14.647,   0.423,   3.860)  ( 0.02,  0.06,  0.05)
165:     strbnd  (  6.144,   3.136,   1.986)  (  6.144,   3.135,   1.985)  ( 0.01,  0.02,  0.05)
165:     torsion (  0.114,  -1.966,  -1.386)  (  0.114,  -1.966,  -1.386)  ( 0.00,  0.01,  0.00)
165:     oop     ( -0.600,   0.982,   0.585)  ( -0.496,   0.813,   0.485)  ( 6.21, 16.58,  5.91)
165:     vdw     ( -6.672,   1.688,  -4.514)  ( -6.672,   1.688,  -4.514)  ( 0.00,  0.00,  0.00)
165:     electro (  2.643, -14.275,   2.893)  (  2.643, -14.275,   2.893)  ( 0.00,  0.00,  0.00)
165: 13       (  0.040,  -0.004,   0.029)  (  0.046,   0.002,   0.035)  ( 0.02,  0.00,  0.02)
165:     bond    ( -2.991,   1.047, -11.722)  ( -2.987,   1.051, -11.718)  ( 0.13,  0.39,  0.04)
165:     angle   ( -2.018,   2.285,   8.597)  ( -2.016,   2.287,   8.599)  ( 0.11,  0.09,  0.02)
165:     strbnd  (  2.619,  -2.990,   4.758)  (  2.618,  -2.991,   4.758)  ( 0.04,  0.03,  0.02)
165:     torsion ( -0.041,  -0.092,   0.175)  ( -0.041,  -0.092,   0.175)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( 14.014,   8.530,   0.129)  ( 14.014,   8.530,   0.129)  ( 0.00,  0.00,  0.00)
165:     electro (-11.542,  -8.783,  -1.908)  (-11.542,  -8.783,  -1.908)  ( 0.00,  0.00,  0.00)
165: 14       (  0.024,  -0.010,   0.034)  (  0.029,  -0.005,   0.040)  ( 0.01,  0.00,  0.02)
165:     bond    ( -4.655,   3.822,  -2.177)  ( -4.651,   3.826,  -2.172)  ( 0.08,  0.10,  0.21)
165:     angle   ( -4.059,  -1.702,  -4.245)  ( -4.057,  -1.700,  -4.243)  ( 0.05,  0.12,  0.05)
165:     strbnd  (  2.089,   1.563,   0.776)  (  2.088,   1.562,   0.776)  ( 0.05,  0.07,  0.03)
165:     torsion (  0.938,   1.048,   1.864)  (  0.938,   1.048,   1.864)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  3.794,  -3.935,   2.717)  (  3.794,  -3.935,   2.717)  ( 0.00,  0.00,  0.00)
165:     electro (  1.918,  -0.806,   1.098)  (  1.918,  -0.806,   1.098)  ( 0.00,  0.00,  0.00)
165: 15       ( -0.042,  -0.017,   0.014)  ( -0.037,  -0.011,   0.020)  ( 0.02,  0.01,  0.01)
165:     bond    ( -6.167,  -3.752,   0.389)  ( -6.163,  -3.748,   0.393)  ( 0.07,  0.11,  0.18)
165:     angle   (  3.378,   1.344,  -4.652)  (  3.380,   1.345,  -4.650)  ( 0.06,  0.14,  0.04)
165:     strbnd  (  0.915,   0.369,  -0.380)  (  0.914,   0.369,  -0.380)  ( 0.08,  0.02,  0.02)
165:     torsion (  1.467,  -0.659,   4.905)  (  1.467,  -0.659,   4.905)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.366,   2.682,  -0.248)  (  0.366,   2.682,  -0.248)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 16       (  0.001,  -0.001,  -0.009)  ( -0.007,  -0.004,  -0.008)  ( 0.00,  0.00,  0.00)
165:     bond    ( -1.392,   1.999,   1.715)  ( -1.392,   2.000,   1.716)  ( 0.06,  0.08,  0.07)
165:     angle   ( -0.390,   1.079,  -1.575)  ( -0.390,   1.079,  -1.575)  ( 0.00,  0.02,  0.03)
165:     strbnd  (  0.199,  -0.272,  -0.384)  (  0.199,  -0.272,  -0.384)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.947,   0.545,   0.133)  (  0.948,   0.545,   0.133)  ( 0.02,  0.00,  0.00)
165:     oop     (  0.050,   0.029,   0.007)  (  0.041,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
165:     vdw     (  1.566,  -2.362,   2.661)  (  1.566,  -2.362,   2.662)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.979,  -1.018,  -2.566)  ( -0.979,  -1.018,  -2.566)  ( 0.00,  0.00,  0.00)
165: 17       (  0.013,  -0.037,   0.011)  (  0.006,  -0.039,   0.010)  ( 0.01,  0.01,  0.00)
165:     bond    ( -1.079,   2.138,  -1.059)  ( -1.078,   2.140,  -1.059)  ( 0.06,  0.12,  0.06)
165:     angle   (  0.033,  -0.019,  -0.072)  (  0.033,  -0.019,  -0.072)  ( 0.00,  0.00,  0.00)
165:     strbnd  (  0.329,  -0.679,   0.351)  (  0.329,  -0.679,   0.351)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.254,   0.148,   0.041)  (  0.254,   0.148,   0.041)  ( 0.01,  0.00,  0.00)
165:     oop     (  0.051,   0.029,   0.008)  (  0.042,   0.025,   0.007)  ( 0.04,  0.01,  0.00)
165:     vdw     (  0.321,  -0.617,   0.307)  (  0.321,  -0.617,   0.307)  ( 0.00,  0.00,  0.00)
165:     electro (  0.104,  -1.037,   0.435)  (  0.104,  -1.037,   0.435)  ( 0.00,  0.00,  0.00)
165: 18       ( -0.002,  -0.001,   0.010)  ( -0.012,  -0.006,   0.011)  ( 0.00,  0.00,  0.00)
165:     bond    (  0.172,   0.436,  -2.694)  (  0.172,   0.436,  -2.691)  ( 0.00,  0.00,  0.13)
165:     angle   (  0.012,   0.006,   0.002)  (  0.012,   0.006,   0.002)  ( 0.00,  0.00,  0.00)
165:     strbnd  ( -0.076,  -0.152,   0.941)  ( -0.076,  -0.152,   0.941)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.138,   0.082,   0.022)  (  0.138,   0.082,   0.022)  ( 0.00,  0.00,  0.00)
165:     oop     (  0.066,   0.040,   0.011)  (  0.055,   0.033,   0.009)  ( 0.07,  0.03,  0.00)
165:     vdw     ( -0.039,  -0.117,   0.755)  ( -0.039,  -0.117,   0.755)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.275,  -0.295,   0.974)  ( -0.275,  -0.295,   0.974)  ( 0.00,  0.00,  0.00)
165: 19       ( -0.010,   0.002,   0.007)  ( -0.018,  -0.002,   0.007)  ( 0.01,  0.00,  0.00)
165:     bond    (  1.319,  -1.740,  -1.572)  (  1.320,  -1.739,  -1.570)  ( 0.07,  0.09,  0.08)
165:     angle   ( -0.010,   0.055,  -0.071)  ( -0.010,   0.056,  -0.070)  ( 0.00,  0.00,  0.00)
165:     strbnd  ( -0.440,   0.556,   0.528)  ( -0.440,   0.556,   0.528)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.286,   0.174,   0.048)  (  0.286,   0.174,   0.048)  ( 0.01,  0.00,  0.00)
165:     oop     (  0.057,   0.035,   0.009)  (  0.048,   0.029,   0.008)  ( 0.05,  0.02,  0.00)
165:     vdw     ( -0.364,   0.499,   0.452)  ( -0.364,   0.499,   0.452)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.858,   0.422,   0.612)  ( -0.858,   0.422,   0.612)  ( 0.00,  0.00,  0.00)
165: 20       ( -0.011,   0.019,  -0.003)  ( -0.022,   0.014,  -0.004)  ( 0.01,  0.01,  0.00)
165:     bond    (  1.065,  -1.923,   0.931)  (  1.066,  -1.921,   0.932)  ( 0.07,  0.13,  0.05)
165:     angle   (  0.816,  -0.719,  -2.417)  (  0.816,  -0.719,  -2.416)  ( 0.01,  0.00,  0.02)
165:     strbnd  ( -0.179,   0.321,  -0.263)  ( -0.179,   0.321,  -0.263)  ( 0.00,  0.00,  0.00)
165:     torsion (  1.157,   0.723,   0.167)  (  1.157,   0.723,   0.167)  ( 0.02,  0.01,  0.00)
165:     oop     (  0.072,   0.045,   0.011)  (  0.060,   0.037,   0.009)  ( 0.09,  0.03,  0.00)
165:     vdw     ( -1.141,   1.967,   4.393)  ( -1.141,   1.967,   4.393)  ( 0.00,  0.00,  0.00)
165:     electro ( -1.800,  -0.394,  -2.826)  ( -1.800,  -0.394,  -2.826)  ( 0.00,  0.00,  0.00)
165: 21       ( -0.002,  -0.005,  -0.023)  ( -0.001,  -0.004,  -0.021)  ( 0.00,  0.00,  0.01)
165:     bond    (  1.444,  -1.170,  -2.502)  (  1.445,  -1.169,  -2.500)  ( 0.05,  0.04,  0.09)
165:     angle   ( -2.245,  -3.938,   0.544)  ( -2.244,  -3.937,   0.544)  ( 0.02,  0.01,  0.01)
165:     strbnd  ( -0.862,   0.401,  -0.476)  ( -0.862,   0.401,  -0.476)  ( 0.00,  0.00,  0.00)
165:     torsion ( -1.116,  -0.117,  -0.590)  ( -1.116,  -0.117,  -0.590)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  2.776,   4.819,   3.001)  (  2.776,   4.819,   3.001)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 22       ( -0.015,   0.012,  -0.030)  ( -0.014,   0.013,  -0.028)  ( 0.00,  0.00,  0.01)
165:     bond    (  0.154,  -0.044,   0.213)  (  0.155,  -0.044,   0.215)  ( 0.02,  0.00,  0.05)
165:     angle   ( -3.150,   0.346,   2.340)  ( -3.150,   0.346,   2.340)  ( 0.01,  0.02,  0.01)
165:     strbnd  ( -1.019,   0.402,  -1.027)  ( -1.019,   0.402,  -1.027)  ( 0.00,  0.00,  0.00)
165:     torsion (  1.025,  -0.593,  -0.859)  (  1.025,  -0.593,  -0.859)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  2.975,  -0.099,  -0.696)  (  2.975,  -0.099,  -0.696)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 23       ( -0.002,  -0.007,  -0.010)  ( -0.000,  -0.006,  -0.007)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.844,   0.674,   1.498)  ( -0.843,   0.674,   1.500)  ( 0.06,  0.03,  0.15)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2rl5_2rl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2roy_p28.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2sli_skd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2tcl_ro4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2tct_ctc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2tdt_npi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2tmn_0fa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2tys_plt.sdf
164:     torsion ( -0.007,  -0.022,  -0.000)  ( -0.006,  -0.021,  -0.000)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.005,  -0.010,  -0.000)  ( -0.005,  -0.011,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 11.821,   8.908,  -0.000)  ( 11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 35       (-52.215,  38.542, -47.306)  (-52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
164:     bond    (-35.755,  12.130, -26.884)  (-35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
164:     angle   (  0.012,   0.005,  -0.081)  (  0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
164:     strbnd  (-20.001,  12.412, -17.160)  (-20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
164:     torsion ( -0.020,  -0.017,  -0.014)  ( -0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.006,  -0.006,  -0.002)  ( -0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.556,  14.019,  -3.165)  (  3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 36       (-52.215,  38.542,  47.292)  (-52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
164:     bond    (-35.755,  12.130,  26.876)  (-35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
164:     angle   (  0.012,   0.005,   0.078)  (  0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
164:     strbnd  (-20.001,  12.412,  17.157)  (-20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
164:     torsion ( -0.020,  -0.017,   0.014)  ( -0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.006,  -0.006,   0.002)  ( -0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.556,  14.019,   3.164)  (  3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 37       (-37.613,  -0.007,  70.694)  (-37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
164:     bond    (-31.161,  -0.003,  34.123)  (-31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
164:     angle   ( -0.051,  -0.002,   0.021)  ( -0.051,  -0.000,   0.022)  ( 0.00,  0.00,  0.00)
164:     strbnd  (-15.277,  -0.001,  24.741)  (-15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.022,  -0.000,  -0.007)  ( -0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.010,  -0.000,  -0.005)  ( -0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (  8.908,  -0.000,  11.821)  (  8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 38       (-52.215, -38.554, -47.306)  (-52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
164:     bond    (-35.755, -12.136, -26.884)  (-35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
164:     angle   (  0.012,  -0.007,  -0.081)  (  0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
164:     strbnd  (-20.001, -12.414, -17.160)  (-20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
164:     torsion ( -0.020,   0.017,  -0.014)  ( -0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.006,   0.005,  -0.002)  ( -0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.556, -14.019,  -3.165)  (  3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 39       (-52.215, -38.554,  47.292)  (-52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
164:     bond    (-35.755, -12.136,  26.876)  (-35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
164:     angle   (  0.012,  -0.007,   0.078)  (  0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
164:     strbnd  (-20.001, -12.414,  17.157)  (-20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
164:     torsion ( -0.020,   0.017,   0.014)  ( -0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.006,   0.005,   0.002)  ( -0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.556, -14.019,   3.164)  (  3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 40       ( 23.900,  -8.357,  75.919)  ( 23.905,  -8.353,  75.928)  ( 0.02,  0.04,  0.01)
164:     bond    (  7.487, -14.578,  43.256)  (  7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
164:     angle   (  0.026,  -0.013,  -0.077)  (  0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
164:     strbnd  (  7.696,  -4.671,  27.650)  (  7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.018,   0.030,  -0.018)  (  0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.006,   0.012,  -0.004)  (  0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     (  8.667,  10.865,   5.113)  (  8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 41       (-54.913, -35.524, -24.139)  (-54.905, -35.518, -24.134)  ( 0.02,  0.02,  0.02)
164:     bond    (-26.884, -35.755, -12.136)  (-26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
164:     angle   (  8.310,   2.328,   1.428)  (  8.312,   2.330,   1.429)  ( 0.02,  0.05,  0.09)
164:     strbnd  (-33.157,  -3.794,  -2.400)  (-33.157,  -3.793,  -2.399)  ( 0.00,  0.02,  0.04)
164:     torsion ( -0.015,  -1.854,   2.983)  ( -0.015,  -1.853,   2.983)  ( 0.00,  0.03,  0.01)
164:     oop     ( -0.002,  -0.006,   0.005)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.165,   3.556, -14.019)  ( -3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 42       (  3.504,  53.443,  17.121)  (  3.509,  53.448,  17.126)  ( 0.15,  0.01,  0.02)
164:     bond    (-12.452,  26.530,  26.356)  (-12.448,  26.533,  26.357)  ( 0.04,  0.01,  0.01)
164:     angle   ( -9.977,  -5.385,  -2.072)  ( -9.975,  -5.383,  -2.071)  ( 0.02,  0.04,  0.05)
164:     strbnd  ( 29.601,  21.773,  10.437)  ( 29.601,  21.772,  10.438)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.442,   1.853,  -6.723)  (  1.442,   1.853,  -6.722)  ( 0.02,  0.02,  0.01)
164:     oop     (  0.004,   0.006,  -0.012)  (  0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.113,   8.667, -10.865)  ( -5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 43       ( 47.292, -52.215, -38.554)  ( 47.297, -52.209, -38.549)  ( 0.01,  0.01,  0.01)
164:     bond    ( 26.876, -35.755, -12.136)  ( 26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
164:     angle   (  0.078,   0.012,  -0.007)  (  0.079,   0.013,  -0.006)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( 17.157, -20.001, -12.414)  ( 17.159, -20.000, -12.413)  ( 0.01,  0.00,  0.01)
164:     torsion (  0.014,  -0.020,   0.017)  (  0.014,  -0.019,   0.017)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.002,  -0.006,   0.005)  (  0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.164,   3.556, -14.019)  (  3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 44       (  8.348,  75.919, -23.913)  (  8.353,  75.928, -23.905)  ( 0.06,  0.01,  0.03)
164:     bond    ( 14.575,  43.256,  -7.494)  ( 14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
164:     angle   (  0.011,  -0.077,  -0.029)  (  0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
164:     strbnd  (  4.670,  27.650,  -7.698)  (  4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
164:     torsion ( -0.031,  -0.018,  -0.018)  ( -0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.012,  -0.004,  -0.006)  ( -0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (-10.865,   5.113,  -8.667)  (-10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 45       ( -8.357,  75.919, -23.913)  ( -8.353,  75.928, -23.905)  ( 0.04,  0.01,  0.03)
164:     bond    (-14.578,  43.256,  -7.494)  (-14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
164:     angle   ( -0.013,  -0.077,  -0.029)  ( -0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
164:     strbnd  ( -4.671,  27.650,  -7.698)  ( -4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
164:     torsion (  0.030,  -0.018,  -0.018)  (  0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2upj_u02.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2usn_in8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uue_mtz.sdf
162:     angle   ( 11.074,  -1.131, -15.051)  ( 11.076,  -1.131, -15.049)  ( 0.02,  0.00,  0.02)
162:     torsion ( -2.233,   0.331,  -0.749)  ( -2.233,   0.331,  -0.749)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-17.663,  -5.755,  14.342)  (-17.663,  -5.755,  14.342)  ( 0.00,  0.00,  0.00)
162:     electro (  0.030,  -0.120,   0.051)  (  0.030,  -0.120,   0.051)  ( 0.00,  0.00,  0.00)
162: 67       (  5.918,  -9.153,   3.030)  (  5.921,  -9.139,   3.033)  ( 0.05,  0.15,  0.08)
162:     bond    (  1.178, -11.514,   0.493)  (  1.178, -11.500,   0.493)  ( 0.02,  0.12,  0.00)
162:     angle   (  6.250,   1.025,   8.968)  (  6.252,   1.025,   8.970)  ( 0.04,  0.00,  0.02)
162:     torsion (  0.695,  -0.077,  -3.453)  (  0.695,  -0.077,  -3.453)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.325,   1.329,  -2.927)  ( -2.325,   1.329,  -2.927)  ( 0.01,  0.00,  0.00)
162:     electro (  0.121,   0.084,  -0.051)  (  0.121,   0.084,  -0.051)  ( 0.00,  0.00,  0.00)
162: 68       (  0.482,   2.947,  13.576)  (  0.486,   2.950,  13.588)  ( 0.18,  0.12,  0.09)
162:     bond    ( -4.784,   4.778,  14.747)  ( -4.782,   4.780,  14.759)  ( 0.03,  0.03,  0.08)
162:     angle   (  8.501,  -1.938,   3.382)  (  8.503,  -1.936,   3.382)  ( 0.03,  0.10,  0.01)
162:     torsion (  0.482,  -4.936,   1.755)  (  0.482,  -4.936,   1.755)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.760,   4.943,  -6.294)  ( -3.759,   4.943,  -6.294)  ( 0.00,  0.00,  0.00)
162:     electro (  0.042,   0.099,  -0.014)  (  0.042,   0.099,  -0.014)  ( 0.00,  0.00,  0.00)
162: 69       (  9.153,  -3.697, -10.224)  (  9.158,  -3.692, -10.214)  ( 0.05,  0.15,  0.09)
162:     bond    (  0.831,  -0.975,  -1.503)  (  0.834,  -0.971,  -1.495)  ( 0.21,  0.34,  0.54)
162:     angle   (  2.396, -12.562,   9.494)  (  2.397, -12.560,   9.495)  ( 0.08,  0.02,  0.01)
162:     torsion (  5.617,  -2.100,   4.496)  (  5.617,  -2.100,   4.496)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.258,  12.064, -22.714)  (  0.259,  12.064, -22.714)  ( 0.02,  0.00,  0.00)
162:     electro (  0.051,  -0.125,   0.004)  (  0.051,  -0.125,   0.004)  ( 0.00,  0.00,  0.00)
162: 70       (  7.709,  -1.420,  13.480)  (  7.716,  -1.417,  13.489)  ( 0.09,  0.22,  0.07)
162:     bond    (  9.230,  -2.843,  12.603)  (  9.235,  -2.843,  12.611)  ( 0.05,  0.02,  0.07)
162:     angle   ( -0.993,  -6.827,  -0.813)  ( -0.992,  -6.825,  -0.812)  ( 0.15,  0.03,  0.06)
162:     torsion ( -3.437,   2.418,   3.061)  ( -3.437,   2.418,   3.061)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.924,   5.851,  -1.469)  (  2.924,   5.851,  -1.469)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.015,  -0.018,   0.098)  ( -0.015,  -0.018,   0.098)  ( 0.00,  0.00,  0.00)
162: 71       ( 15.337,   0.468,  -6.953)  ( 15.349,   0.472,  -6.949)  ( 0.08,  0.18,  0.06)
162:     bond    ( 10.156,   4.115,  -3.749)  ( 10.167,   4.117,  -3.748)  ( 0.11,  0.04,  0.04)
162:     angle   ( -2.895, -13.080, -22.219)  ( -2.894, -13.078, -22.217)  ( 0.02,  0.01,  0.01)
162:     torsion (  0.311,  -0.472,   0.325)  (  0.311,  -0.472,   0.325)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  7.727,  10.056,  18.626)  (  7.727,  10.056,  18.626)  ( 0.00,  0.00,  0.00)
162:     electro (  0.039,  -0.151,   0.065)  (  0.039,  -0.151,   0.065)  ( 0.00,  0.00,  0.00)
162: 72       ( -2.716,   3.451, -11.879)  ( -2.708,   3.454, -11.870)  ( 0.29,  0.08,  0.07)
162:     bond    ( -5.252,   1.505,  -5.857)  ( -5.246,   1.506,  -5.849)  ( 0.12,  0.04,  0.13)
162:     angle   ( 16.316,  -1.564, -15.037)  ( 16.317,  -1.562, -15.036)  ( 0.01,  0.13,  0.01)
162:     torsion (  0.522,   0.865,  -0.245)  (  0.522,   0.865,  -0.245)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-14.285,   2.813,   9.371)  (-14.285,   2.813,   9.371)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.017,  -0.168,  -0.111)  ( -0.017,  -0.168,  -0.111)  ( 0.00,  0.00,  0.00)
162: 73       ( -1.977,  -8.183,  -0.263)  ( -1.974,  -8.169,  -0.260)  ( 0.12,  0.17,  0.07)
162:     bond    (  0.203,  -1.906,   0.142)  (  0.203,  -1.892,   0.142)  ( 0.00,  0.73,  0.00)
162:     angle   ( 11.906,   0.081, -15.902)  ( 11.908,   0.081, -15.899)  ( 0.02,  0.00,  0.02)
162:     torsion ( -0.518,  -0.066,  -0.135)  ( -0.518,  -0.066,  -0.135)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-13.619,  -6.139,  15.500)  (-13.619,  -6.139,  15.500)  ( 0.00,  0.00,  0.00)
162:     electro (  0.052,  -0.154,   0.131)  (  0.052,  -0.154,   0.131)  ( 0.00,  0.00,  0.00)
162: 74       ( -9.261,   1.471,  -4.775)  ( -9.256,   1.473,  -4.764)  ( 0.06,  0.14,  0.21)
162:     bond    ( -3.300,  -2.275,  -4.913)  ( -3.296,  -2.273,  -4.904)  ( 0.13,  0.09,  0.19)
162:     angle   ( -0.706,  -0.289,   0.607)  ( -0.705,  -0.289,   0.608)  ( 0.08,  0.01,  0.05)
162:     torsion ( -2.796,   5.459,  -0.652)  ( -2.796,   5.459,  -0.652)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.459,  -1.424,   0.183)  ( -2.459,  -1.424,   0.183)  ( 0.00,  0.00,  0.00)
162: ok 22 # gradients 
162: ok 23 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (243.435, -129.883,  97.853)  (243.468, -129.847,  97.862)  ( 0.01,  0.03,  0.01)
162:     bond    ( 13.714, -161.918,  57.015)  ( 13.737, -161.892,  57.019)  ( 0.16,  0.02,  0.01)
162:     angle   (241.825,  42.374,  40.057)  (241.835,  42.383,  40.058)  ( 0.00,  0.02,  0.00)
162:     torsion (  1.708,  -1.592,   0.535)  (  1.708,  -1.591,   0.539)  ( 0.03,  0.05,  0.24)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-14.823,  -7.893,  -0.106)  (-14.823,  -7.893,  -0.106)  ( 0.00,  0.00,  0.00)
162:     electro (  1.012,  -0.854,   0.352)  (  1.012,  -0.854,   0.352)  ( 0.00,  0.00,  0.00)
162:  2       (-213.165, 239.894, -122.837)  (-213.131, 239.930, -122.828)  ( 0.02,  0.01,  0.01)
162:     bond    ( 41.916, 143.345, -37.441)  ( 41.937, 143.373, -37.437)  ( 0.05,  0.02,  0.01)
162:     angle   (-253.888,  71.912, -100.043)  (-253.878,  71.918, -100.043)  ( 0.00,  0.01,  0.00)
162:     torsion ( -6.134,   7.270,  24.251)  ( -6.134,   7.271,  24.255)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.565,  18.251,  -9.760)  (  5.566,  18.252,  -9.761)  ( 0.02,  0.00,  0.00)
162:     electro ( -0.624,  -0.884,   0.157)  ( -0.624,  -0.884,   0.157)  ( 0.00,  0.00,  0.00)
162:  3       (-150.025, 122.428, -24.536)  (-149.990, 122.475, -24.531)  ( 0.02,  0.04,  0.02)
162:     bond    (-100.738, 108.256, -17.186)  (-100.713, 108.294, -17.185)  ( 0.02,  0.04,  0.01)
162:     angle   (-47.166,  14.804,  -4.640)  (-47.156,  14.813,  -4.640)  ( 0.02,  0.06,  0.02)
162:     torsion ( -1.343,   3.194,  -3.831)  ( -1.343,   3.194,  -3.828)  ( 0.00,  0.00,  0.07)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.737,   0.521,  -2.281)  ( -6.737,   0.521,  -2.281)  ( 0.00,  0.01,  0.00)
162:     electro (  5.959,  -4.347,   3.403)  (  5.959,  -4.347,   3.403)  ( 0.00,  0.00,  0.00)
162:  4       (  9.643, -88.299,  28.696)  (  9.675, -88.259,  28.708)  ( 0.33,  0.05,  0.04)
162:     bond    (  3.149,  11.268,  -3.764)  (  3.171,  11.298,  -3.757)  ( 0.73,  0.27,  0.19)
162:     angle   (  6.039, -82.872,  35.774)  (  6.047, -82.864,  35.776)  ( 0.14,  0.01,  0.01)
162:     torsion (  2.826,  -1.640,  -8.348)  (  2.826,  -1.640,  -8.344)  ( 0.01,  0.05,  0.04)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uuh_lmu.sdf
165:     angle   (  0.780,   0.980,  -0.002)  (  0.780,   0.980,  -0.002)  ( 0.03,  0.05,  0.00)
165:     strbnd  ( -0.246,   0.126,  -0.182)  ( -0.246,   0.126,  -0.182)  ( 0.00,  0.00,  0.00)
165:     torsion ( -1.955,  -0.263,  -0.980)  ( -1.955,  -0.263,  -0.980)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  2.263,  -1.523,  -0.342)  (  2.263,  -1.523,  -0.342)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 24       (  0.008,  -0.004,  -0.001)  (  0.009,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
165:     bond    (  0.400,  -1.579,   0.234)  (  0.400,  -1.576,   0.235)  ( 0.01,  0.20,  0.00)
165:     angle   ( -0.974,   0.080,   2.199)  ( -0.974,   0.080,   2.199)  ( 0.05,  0.00,  0.02)
165:     strbnd  ( -0.565,   0.621,  -0.074)  ( -0.565,   0.621,  -0.074)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.236,  -0.429,  -2.483)  ( -0.236,  -0.429,  -2.483)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.383,   1.303,   0.122)  (  1.383,   1.303,   0.122)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 25       ( -0.003,   0.003,   0.000)  ( -0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.527,   0.046,  -0.630)  ( -0.526,   0.046,  -0.628)  ( 0.07,  0.00,  0.13)
165:     angle   ( -0.726,  -0.901,   0.541)  ( -0.725,  -0.901,   0.541)  ( 0.02,  0.04,  0.01)
165:     strbnd  ( -0.277,  -0.238,   0.153)  ( -0.277,  -0.238,   0.153)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.187,  -0.339,  -0.181)  (  0.187,  -0.338,  -0.181)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.340,   1.434,   0.118)  (  1.340,   1.434,   0.118)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 26       (  0.006,  -0.002,  -0.020)  (  0.007,  -0.001,  -0.018)  ( 0.00,  0.00,  0.01)
165:     bond    ( -0.838,   0.546,   1.494)  ( -0.837,   0.547,   1.496)  ( 0.06,  0.02,  0.16)
165:     angle   ( -0.275,  -2.955,   0.926)  ( -0.274,  -2.954,   0.926)  ( 0.01,  0.02,  0.01)
165:     strbnd  ( -0.022,  -0.439,  -0.536)  ( -0.022,  -0.439,  -0.536)  ( 0.00,  0.00,  0.00)
165:     torsion ( -1.106,   1.318,  -1.100)  ( -1.106,   1.318,  -1.100)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  2.246,   1.528,  -0.804)  (  2.246,   1.528,  -0.804)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: ok 6 # gradients 
165: ok 7 # energy 
165: ----------------------------------------------------------------------------------------
165:                                                                                         
165:   VALIDATE GRADIENTS : fizgok.xyz
165:                                                                                         
165:                                                                                         
165: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
165: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uuo_lk3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uup_lk4.sdf
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 22       ( 48.033, 132.616, -33.392)  ( 48.055, 132.620, -33.383)  ( 0.05,  0.00,  0.03)
163:     bond    ( 52.153,   0.195, -26.552)  ( 52.176,   0.195, -26.546)  ( 0.04,  0.01,  0.02)
163:     angle   ( -4.570, 133.610,  -8.002)  ( -4.569, 133.613,  -7.999)  ( 0.02,  0.00,  0.03)
163:     torsion ( -0.007,   0.002,  -0.014)  ( -0.007,   0.002,  -0.014)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.456,  -1.191,   1.177)  (  0.456,  -1.191,   1.177)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 23       ( 67.190,  61.826,  20.295)  ( 67.195,  61.834,  20.318)  ( 0.01,  0.01,  0.11)
163:     bond    ( 10.644,  23.335,  49.973)  ( 10.645,  23.340,  49.996)  ( 0.01,  0.02,  0.04)
163:     angle   ( 56.121,  38.461, -29.908)  ( 56.125,  38.464, -29.907)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.016,   0.008,  -0.000)  ( -0.016,   0.008,  -0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.441,   0.023,   0.229)  (  0.442,   0.023,   0.229)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 24       ( 96.003,  97.427, -55.295)  ( 96.013,  97.441, -55.284)  ( 0.01,  0.02,  0.02)
163:     bond    (-24.478,  34.857, -28.158)  (-24.471,  34.870, -28.149)  ( 0.03,  0.04,  0.03)
163:     angle   (121.516,  63.126, -27.444)  (121.519,  63.128, -27.442)  ( 0.00,  0.00,  0.01)
163:     torsion ( -0.027,   0.017,   0.045)  ( -0.027,   0.017,   0.045)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -1.008,  -0.574,   0.262)  ( -1.008,  -0.574,   0.262)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 16 # gradients 
163: ok 17 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (763.591, 211.175, -129.938)  (763.686, 211.256, -129.900)  ( 0.01,  0.04,  0.03)
163:     bond    (760.485, 208.396, -131.774)  (760.571, 208.466, -131.744)  ( 0.01,  0.03,  0.02)
163:     angle   ( -0.453,   0.202,  -0.114)  ( -0.445,   0.212,  -0.107)  ( 0.38,  0.20,  0.07)
163:     torsion ( -0.043,   0.042,   0.071)  ( -0.042,   0.043,   0.072)  ( 0.00,  0.00,  0.01)
163:     vdw     (  3.603,   2.535,   1.878)  (  3.603,   2.535,   1.878)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       ( -0.090, 681.819, -423.091)  ( -0.000, 681.921, -423.070)  ( 0.82,  0.01,  0.01)
163:     bond    ( -0.078, 677.006, -423.243)  (  0.000, 677.098, -423.228)  ( 0.61,  0.01,  0.00)
163:     angle   ( -0.011,   0.072,  -0.295)  ( -0.000,   0.082,  -0.291)  ( 0.01,  0.07,  0.12)
163:     torsion ( -0.001,  -0.016,  -0.052)  ( -0.000,  -0.015,  -0.050)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.000,   4.757,   0.499)  (  0.000,   4.757,   0.499)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       ( -0.090, -682.022, -423.091)  ( -0.000, -681.921, -423.070)  ( 0.82,  0.01,  0.01)
163:     bond    ( -0.078, -677.189, -423.243)  (  0.000, -677.098, -423.228)  ( 0.61,  0.01,  0.00)
163:     angle   ( -0.011,  -0.091,  -0.295)  ( -0.000,  -0.082,  -0.291)  ( 0.01,  0.09,  0.12)
163:     torsion ( -0.001,   0.015,  -0.052)  (  0.000,   0.015,  -0.050)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.000,  -4.757,   0.499)  ( -0.000,  -4.757,   0.499)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       (763.591, -211.337, -129.938)  (763.686, -211.256, -129.900)  ( 0.01,  0.04,  0.03)
163:     bond    (760.485, -208.536, -131.774)  (760.571, -208.466, -131.744)  ( 0.01,  0.03,  0.02)
163:     angle   ( -0.453,  -0.222,  -0.114)  ( -0.445,  -0.212,  -0.107)  ( 0.38,  0.22,  0.07)
163:     torsion ( -0.043,  -0.044,   0.071)  ( -0.042,  -0.043,   0.072)  ( 0.00,  0.00,  0.01)
163:     vdw     (  3.603,  -2.535,   1.878)  (  3.603,  -2.535,   1.878)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (-341.903, 475.989, -552.554)  (-341.837, 476.081, -552.499)  ( 0.02,  0.02,  0.01)
163:     bond    (-337.801, 473.237, -551.537)  (-337.743, 473.318, -551.490)  ( 0.02,  0.02,  0.01)
163:     angle   ( -0.043,   0.489,   0.094)  ( -0.035,   0.499,   0.101)  ( 0.03,  0.50,  0.06)
163:     torsion (  0.040,   0.033,  -0.048)  (  0.041,   0.034,  -0.046)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -4.099,   2.230,  -1.064)  ( -4.099,   2.230,  -1.064)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       (-341.903, -476.173, -552.554)  (-341.837, -476.081, -552.499)  ( 0.02,  0.02,  0.01)
163:     bond    (-337.801, -473.399, -551.537)  (-337.743, -473.318, -551.490)  ( 0.02,  0.02,  0.01)
163:     angle   ( -0.043,  -0.509,   0.094)  ( -0.035,  -0.499,   0.101)  ( 0.03,  0.52,  0.06)
163:     torsion (  0.040,  -0.034,  -0.048)  (  0.041,  -0.034,  -0.046)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -4.099,  -2.230,  -1.064)  ( -4.099,  -2.230,  -1.064)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  7       (-763.780, 211.175, -129.938)  (-763.686, 211.256, -129.900)  ( 0.01,  0.04,  0.03)
163:     bond    (-760.656, 208.396, -131.774)  (-760.571, 208.466, -131.744)  ( 0.01,  0.03,  0.02)
163:     angle   (  0.436,   0.202,  -0.114)  (  0.445,   0.212,  -0.107)  ( 0.37,  0.20,  0.07)
163:     torsion (  0.042,   0.042,   0.071)  (  0.042,   0.043,   0.072)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -3.603,   2.535,   1.878)  ( -3.603,   2.535,   1.878)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       (-763.780, -211.337, -129.938)  (-763.686, -211.256, -129.900)  ( 0.01,  0.04,  0.03)
163:     bond    (-760.656, -208.536, -131.774)  (-760.571, -208.466, -131.744)  ( 0.01,  0.03,  0.02)
163:     angle   (  0.436,  -0.222,  -0.114)  (  0.445,  -0.212,  -0.107)  ( 0.37,  0.22,  0.07)
163:     torsion (  0.042,  -0.044,   0.071)  (  0.042,  -0.043,   0.072)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -3.603,  -2.535,   1.878)  ( -3.603,  -2.535,   1.878)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  9       (475.989, 552.444, 341.770)  (476.081, 552.499, 341.837)  ( 0.02,  0.01,  0.02)
163:     bond    (473.237, 551.443, 337.686)  (473.318, 551.490, 337.743)  ( 0.02,  0.01,  0.02)
163:     angle   (  0.489,  -0.107,   0.027)  (  0.499,  -0.101,   0.035)  ( 0.50,  0.07,  0.02)
163:     torsion (  0.033,   0.045,  -0.041)  (  0.034,   0.046,  -0.041)  ( 0.00,  0.01,  0.00)
163:     vdw     (  2.230,   1.064,   4.099)  (  2.230,   1.064,   4.099)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 10       (129.863, 763.591, 211.175)  (129.900, 763.686, 211.256)  ( 0.03,  0.01,  0.04)
163:     bond    (131.714, 760.485, 208.396)  (131.744, 760.571, 208.466)  ( 0.02,  0.01,  0.03)
163:     angle   (  0.101,  -0.453,   0.202)  (  0.107,  -0.445,   0.212)  ( 0.06,  0.38,  0.20)
163:     torsion ( -0.074,  -0.043,   0.042)  ( -0.072,  -0.042,   0.043)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -1.879,   3.603,   2.535)  ( -1.878,   3.603,   2.535)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       (129.863, -763.780, 211.175)  (129.900, -763.686, 211.256)  ( 0.03,  0.01,  0.04)
163:     bond    (131.714, -760.656, 208.396)  (131.744, -760.571, 208.466)  ( 0.02,  0.01,  0.03)
163:     angle   (  0.101,   0.436,   0.202)  (  0.107,   0.445,   0.212)  ( 0.06,  0.37,  0.20)
163:     torsion ( -0.074,   0.042,   0.042)  ( -0.072,   0.042,   0.043)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -1.879,  -3.603,   2.535)  ( -1.878,  -3.603,   2.535)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (475.989, -552.554, 341.770)  (476.081, -552.499, 341.837)  ( 0.02,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uv5_amz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uvy_gvi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uvz_gvj.sdf
165:  1       (  0.075,   0.147,  -0.085)  (  0.082,   0.159,  -0.080)  ( 0.05,  0.19,  0.04)
165:     bond    ( -7.838,  -3.903,  -3.643)  ( -7.834,  -3.894,  -3.639)  ( 0.06,  0.21,  0.11)
165:     angle   (  7.377, -14.044,  12.273)  (  7.380, -14.042,  12.275)  ( 0.04,  0.02,  0.02)
165:     strbnd  (  0.657,   1.642,  -0.343)  (  0.656,   1.641,  -0.344)  ( 0.08,  0.06,  0.04)
165:     torsion ( -0.045,   0.673,  -0.372)  ( -0.045,   0.673,  -0.371)  ( 0.00,  0.01,  0.00)
165:     oop     ( -0.007,  -0.027,   0.009)  ( -0.007,  -0.024,   0.008)  ( 0.00,  0.01,  0.00)
165:     vdw     ( -0.525,  -6.965,   3.135)  ( -0.525,  -6.965,   3.135)  ( 0.00,  0.00,  0.00)
165:     electro (  0.455,  22.771, -11.143)  (  0.455,  22.771, -11.143)  ( 0.00,  0.00,  0.00)
165:  2       (  1.636,  -0.294,   0.523)  (  1.645,  -0.288,   0.526)  ( 0.60,  0.19,  0.15)
165:     bond    (-11.204,   8.407,  18.715)  (-11.196,   8.408,  18.718)  ( 0.07,  0.01,  0.02)
165:     angle   (  0.078,   5.582,   5.314)  (  0.080,   5.582,   5.316)  ( 0.01,  0.01,  0.04)
165:     strbnd  ( 14.683, -10.263, -21.918)  ( 14.682, -10.263, -21.919)  ( 0.01,  0.00,  0.00)
165:     torsion (  0.150,   0.067,  -0.035)  (  0.150,   0.067,  -0.035)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.011,  -0.041,   0.013)  ( -0.010,  -0.036,   0.012)  ( 0.00,  0.02,  0.00)
165:     vdw     ( -1.009,  -4.181,  -1.167)  ( -1.009,  -4.181,  -1.167)  ( 0.00,  0.00,  0.00)
165:     electro ( -1.053,   0.135,  -0.399)  ( -1.053,   0.135,  -0.399)  ( 0.00,  0.00,  0.00)
165:  3       ( -1.196,  -0.099,  -1.352)  ( -1.194,  -0.124,  -1.338)  ( 0.11,  0.25,  1.02)
165:     bond    ( -4.431,   5.571,  14.123)  ( -4.424,   5.572,  14.127)  ( 0.17,  0.01,  0.03)
165:     angle   (  2.807,  -2.317,  -5.897)  (  2.808,  -2.317,  -5.895)  ( 0.05,  0.01,  0.04)
165:     strbnd  ( -0.396,  -3.222, -10.930)  ( -0.396,  -3.222, -10.931)  ( 0.03,  0.00,  0.01)
165:     torsion (  0.009,   0.024,  -0.016)  (  0.009,   0.024,  -0.016)  ( 0.00,  0.00,  0.00)
165:     oop     (  0.040,   0.151,  -0.046)  (  0.033,   0.124,  -0.038)  ( 0.03,  0.41,  0.04)
165:     vdw     ( -1.180,  -0.564,  -1.315)  ( -1.180,  -0.564,  -1.315)  ( 0.00,  0.00,  0.00)
165:     electro (  1.956,   0.259,   2.729)  (  1.956,   0.259,   2.729)  ( 0.00,  0.00,  0.00)
165:  4       ( -0.453,   0.371,   0.817)  ( -0.453,   0.347,   0.833)  ( 0.03,  0.90,  1.31)
165:     bond    ( 11.836,  -5.927,  -8.661)  ( 11.841,  -5.926,  -8.655)  ( 0.04,  0.01,  0.08)
165:     angle   ( -4.489,   2.870,   4.414)  ( -4.487,   2.870,   4.415)  ( 0.05,  0.01,  0.03)
165:     strbnd  ( -9.187,   3.979,   4.504)  ( -9.187,   3.979,   4.504)  ( 0.01,  0.00,  0.01)
165:     torsion ( -0.003,   0.015,   0.000)  ( -0.003,   0.016,   0.000)  ( 0.00,  0.00,  0.00)
165:     oop     (  0.040,   0.146,  -0.047)  (  0.033,   0.121,  -0.038)  ( 0.03,  0.38,  0.04)
165:     vdw     ( -1.795,  -0.128,  -0.448)  ( -1.795,  -0.128,  -0.448)  ( 0.00,  0.00,  0.00)
165:     electro (  3.145,  -0.584,   1.055)  (  3.145,  -0.584,   1.055)  ( 0.00,  0.00,  0.00)
165:  5       ( -0.041,   0.004,   0.038)  ( -0.035,   0.010,   0.045)  ( 0.02,  0.00,  0.03)
165:     bond    ( 13.675,  -9.287, -16.484)  ( 13.679,  -9.286, -16.477)  ( 0.03,  0.01,  0.04)
165:     angle   (  6.589,   0.956,  -3.854)  (  6.590,   0.957,  -3.852)  ( 0.03,  0.06,  0.04)
165:     strbnd  (-16.570,  11.056,  19.409)  (-16.571,  11.055,  19.409)  ( 0.01,  0.00,  0.00)
165:     torsion (  0.066,   0.138,   0.084)  (  0.066,   0.138,   0.084)  ( 0.00,  0.01,  0.00)
165:     oop     ( -0.010,  -0.039,   0.012)  ( -0.009,  -0.035,   0.011)  ( 0.00,  0.02,  0.00)
165:     vdw     ( -3.074,  -2.716,   1.743)  ( -3.074,  -2.716,   1.743)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.716,  -0.103,  -0.873)  ( -0.716,  -0.103,  -0.873)  ( 0.00,  0.00,  0.00)
165:  6       (  0.013,  -0.004,  -0.008)  (  0.016,   0.001,  -0.008)  ( 0.00,  0.00,  0.00)
165:     bond    ( 11.948,  -5.575,  -8.525)  ( 11.950,  -5.574,  -8.524)  ( 0.01,  0.01,  0.01)
165:     angle   ( -0.801,  -0.056,  -1.086)  ( -0.801,  -0.057,  -1.085)  ( 0.01,  0.00,  0.03)
165:     strbnd  (-17.035,   8.265,  13.244)  (-17.035,   8.265,  13.244)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.113,  -0.440,   0.129)  ( -0.113,  -0.440,   0.129)  ( 0.00,  0.01,  0.00)
165:     oop     ( -0.004,  -0.017,   0.005)  ( -0.003,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
165:     vdw     (  5.058,  -1.595,  -0.879)  (  5.058,  -1.595,  -0.879)  ( 0.00,  0.00,  0.00)
165:     electro (  0.961,  -0.585,  -2.896)  (  0.961,  -0.585,  -2.896)  ( 0.00,  0.00,  0.00)
165:  7       (  0.004,  -0.006,  -0.007)  (  0.009,   0.011,  -0.010)  ( 0.00,  0.01,  0.00)
165:     bond    ( -1.576,  -0.689,  -3.698)  ( -1.575,  -0.689,  -3.696)  ( 0.02,  0.00,  0.06)
165:     angle   ( -1.762,   0.781,   0.606)  ( -1.762,   0.781,   0.606)  ( 0.02,  0.00,  0.00)
165:     strbnd  (  3.973,   2.058,  10.392)  (  3.974,   2.058,  10.392)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.002,   0.010,  -0.003)  (  0.002,   0.010,  -0.003)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.021,  -0.079,   0.024)  ( -0.017,  -0.062,   0.019)  ( 0.01,  0.13,  0.01)
165:     vdw     ( -0.489,  -2.014,  -7.035)  ( -0.489,  -2.014,  -7.035)  ( 0.01,  0.00,  0.00)
165:     electro ( -0.123,  -0.073,  -0.293)  ( -0.123,  -0.073,  -0.293)  ( 0.00,  0.00,  0.00)
165:  8       ( -0.014,   0.006,   0.005)  ( -0.006,   0.023,   0.000)  ( 0.01,  0.01,  0.00)
165:     bond    ( -3.952,   0.990,  -0.369)  ( -3.949,   0.990,  -0.369)  ( 0.06,  0.01,  0.00)
165:     angle   (  0.055,  -0.510,  -1.957)  (  0.055,  -0.510,  -1.957)  ( 0.00,  0.00,  0.02)
165:     strbnd  ( 10.930,  -2.876,   0.597)  ( 10.930,  -2.875,   0.597)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.004,   0.013,  -0.005)  (  0.004,   0.013,  -0.005)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.022,  -0.078,   0.025)  ( -0.017,  -0.061,   0.019)  ( 0.01,  0.13,  0.01)
165:     vdw     ( -6.710,   2.400,   1.731)  ( -6.710,   2.400,   1.731)  ( 0.00,  0.00,  0.01)
165:     electro ( -0.319,   0.065,  -0.017)  ( -0.319,   0.065,  -0.017)  ( 0.00,  0.00,  0.00)
165:  9       (  0.001,  -0.005,  -0.013)  (  0.003,   0.000,  -0.012)  ( 0.00,  0.00,  0.00)
165:     bond    ( -4.048,   5.770,  13.996)  ( -4.048,   5.770,  13.999)  ( 0.00,  0.01,  0.02)
165:     angle   ( -1.241,   0.257,  -0.465)  ( -1.241,   0.257,  -0.465)  ( 0.03,  0.00,  0.00)
165:     strbnd  (  6.786,  -8.639, -20.325)  (  6.786,  -8.639, -20.325)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.124,  -0.435,   0.144)  ( -0.124,  -0.435,   0.144)  ( 0.00,  0.01,  0.00)
165:     oop     ( -0.005,  -0.018,   0.006)  ( -0.004,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
165:     vdw     (  0.799,   1.425,   5.120)  (  0.799,   1.425,   5.120)  ( 0.01,  0.00,  0.00)
165:     electro ( -2.167,   1.634,   1.511)  ( -2.167,   1.634,   1.511)  ( 0.00,  0.00,  0.00)
165: 10       ( -0.041,  -0.122,   0.031)  ( -0.038,  -0.116,   0.034)  ( 0.01,  0.07,  0.01)
165:     bond    ( -3.216, -14.697,   5.117)  ( -3.214, -14.692,   5.118)  ( 0.06,  0.04,  0.02)
165:     angle   ( -7.773,   6.823,  -8.945)  ( -7.771,   6.824,  -8.944)  ( 0.02,  0.01,  0.01)
165:     strbnd  (  6.282,   1.107,   3.899)  (  6.282,   1.107,   3.898)  ( 0.01,  0.00,  0.01)
165:     torsion (  0.055,  -0.068,   0.073)  (  0.055,  -0.068,   0.073)  ( 0.00,  0.00,  0.00)
165:     oop     (  0.002,  -0.001,  -0.002)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
165:     vdw     (  2.079,   0.861,   1.042)  (  2.079,   0.861,   1.042)  ( 0.00,  0.00,  0.00)
165:     electro (  2.530,   5.853,  -1.152)  (  2.530,   5.853,  -1.152)  ( 0.00,  0.00,  0.00)
165: 11       ( -0.148,   0.096,  -0.138)  ( -0.138,   0.102,  -0.133)  ( 0.15,  0.06,  0.07)
165:     bond    ( -2.324,  11.771,  -7.579)  ( -2.317,  11.777,  -7.575)  ( 0.31,  0.05,  0.07)
165:     angle   ( -3.241,  -6.144,   0.794)  ( -3.239,  -6.142,   0.795)  ( 0.06,  0.04,  0.10)
165:     strbnd  (  3.432,   4.890,  -0.026)  (  3.432,   4.889,  -0.026)  ( 0.02,  0.02,  0.00)
165:     torsion ( -0.002,   0.001,   0.002)  ( -0.002,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.006,   0.004,   0.007)  ( -0.005,   0.003,   0.007)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.330,  -2.187,   2.045)  (  1.330,  -2.187,   2.045)  ( 0.00,  0.01,  0.00)
165:     electro (  0.662,  -8.239,   4.619)  (  0.662,  -8.239,   4.619)  ( 0.00,  0.00,  0.00)
165: 12       (  0.104,  -0.045,   0.088)  (  0.109,  -0.043,   0.092)  ( 0.05,  0.01,  0.04)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uw0_gvk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uw4_l15.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uw5_gvn.sdf
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.918, -17.675,   7.022)  (  0.919, -17.674,   7.022)  ( 0.01,  0.00,  0.00)
162:     electro ( -3.288,   2.621,  -1.988)  ( -3.288,   2.621,  -1.988)  ( 0.00,  0.00,  0.00)
162:  5       (-20.852,  34.625, -37.259)  (-20.847,  34.648, -37.253)  ( 0.02,  0.07,  0.01)
162:     bond    (  1.606,  57.568, -25.196)  (  1.606,  57.591, -25.191)  ( 0.02,  0.04,  0.02)
162:     angle   (-24.563,  -1.326,  -4.597)  (-24.559,  -1.326,  -4.597)  ( 0.02,  0.00,  0.01)
162:     torsion (  3.709,  -8.418, -19.008)  (  3.709,  -8.418, -19.008)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-12.625, -10.274,   7.171)  (-12.624, -10.274,   7.171)  ( 0.01,  0.00,  0.00)
162:     electro ( 11.021,  -2.925,   4.371)  ( 11.021,  -2.925,   4.371)  ( 0.00,  0.00,  0.00)
162:  6       (-387.995,  95.745, -78.809)  (-387.959,  95.780, -78.800)  ( 0.01,  0.04,  0.01)
162:     bond    (-170.923, 156.286, -74.681)  (-170.899, 156.312, -74.678)  ( 0.01,  0.02,  0.00)
162:     angle   (-219.890, -40.280, -20.904)  (-219.880, -40.272, -20.903)  ( 0.00,  0.02,  0.00)
162:     torsion ( -1.343,   3.083,   6.957)  ( -1.343,   3.084,   6.962)  ( 0.00,  0.02,  0.06)
162:     oop     ( -0.005,   0.013,   0.040)  ( -0.005,   0.013,   0.040)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.646, -22.596,   9.528)  (  3.647, -22.596,   9.528)  ( 0.03,  0.00,  0.00)
162:     electro (  0.521,  -0.761,   0.251)  (  0.521,  -0.761,   0.251)  ( 0.00,  0.00,  0.00)
162:  7       (173.034, -205.670,  88.803)  (173.075, -205.632,  88.813)  ( 0.02,  0.02,  0.01)
162:     bond    (-30.994,  23.260, -12.018)  (-30.963,  23.288, -12.014)  ( 0.10,  0.12,  0.04)
162:     angle   (209.295, -246.958, 102.767)  (209.304, -246.949, 102.766)  ( 0.00,  0.00,  0.00)
162:     torsion ( -0.848,   0.390,   3.384)  ( -0.847,   0.391,   3.389)  ( 0.01,  0.02,  0.16)
162:     oop     ( -0.064,   0.173,   0.491)  ( -0.064,   0.173,   0.491)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -5.122,  18.379,  -6.122)  ( -5.121,  18.379,  -6.122)  ( 0.02,  0.00,  0.00)
162:     electro (  0.767,  -0.914,   0.302)  (  0.767,  -0.914,   0.302)  ( 0.00,  0.00,  0.00)
162:  8       (176.395,  20.267,  22.152)  (176.428,  20.297,  22.159)  ( 0.02,  0.15,  0.03)
162:     bond    (126.293, -50.819,  33.089)  (126.321, -50.798,  33.091)  ( 0.02,  0.04,  0.01)
162:     angle   ( 34.480,  88.092, -24.751)  ( 34.485,  88.100, -24.750)  ( 0.01,  0.01,  0.00)
162:     torsion ( -0.863,   2.056,   6.381)  ( -0.863,   2.057,   6.384)  ( 0.00,  0.02,  0.05)
162:     oop     (  0.045,  -0.120,  -0.365)  (  0.045,  -0.120,  -0.364)  ( 0.00,  0.00,  0.02)
162:     vdw     ( 16.167, -19.067,   7.814)  ( 16.168, -19.066,   7.814)  ( 0.00,  0.00,  0.00)
162:     electro (  0.272,   0.124,  -0.016)  (  0.272,   0.124,  -0.016)  ( 0.00,  0.00,  0.00)
162:  9       (239.894, -72.401, -15.239)  (239.924, -72.370, -15.231)  ( 0.01,  0.04,  0.05)
162:     bond    (123.035, -74.312,  32.669)  (123.062, -74.290,  32.673)  ( 0.02,  0.03,  0.01)
162:     angle   (106.566, -15.151, -14.452)  (106.568, -15.143, -14.450)  ( 0.00,  0.05,  0.01)
162:     torsion (  4.251,  -6.973, -25.732)  (  4.251,  -6.973, -25.729)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.962,  16.449,  -7.787)  ( -0.962,  16.450,  -7.787)  ( 0.01,  0.00,  0.00)
162:     electro (  7.003,   7.586,   0.063)  (  7.003,   7.586,   0.063)  ( 0.00,  0.00,  0.00)
162: 10       (-213.303, 251.697, -120.074)  (-213.267, 251.729, -120.066)  ( 0.02,  0.01,  0.01)
162:     bond    (-198.774, -33.489, -14.358)  (-198.745, -33.469, -14.355)  ( 0.01,  0.06,  0.02)
162:     angle   (-15.676, 272.089, -97.794)  (-15.670, 272.098, -97.793)  ( 0.04,  0.00,  0.00)
162:     torsion ( -0.557,   1.730,   5.848)  ( -0.557,   1.730,   5.851)  ( 0.00,  0.03,  0.06)
162:     oop     (  0.191,  -0.578,  -1.569)  (  0.191,  -0.578,  -1.569)  ( 0.00,  0.00,  0.04)
162:     vdw     (  1.608,  11.677, -12.164)  (  1.609,  11.678, -12.164)  ( 0.03,  0.01,  0.00)
162:     electro ( -0.095,   0.269,  -0.036)  ( -0.095,   0.269,  -0.036)  ( 0.00,  0.00,  0.00)
162: 11       ( 91.395, -97.429,  11.923)  ( 91.433, -97.396,  11.930)  ( 0.04,  0.03,  0.06)
162:     bond    (205.126, -17.769,  30.132)  (205.153, -17.743,  30.136)  ( 0.01,  0.15,  0.01)
162:     angle   (-127.916, -87.978,  -9.803)  (-127.906, -87.973,  -9.802)  ( 0.01,  0.01,  0.01)
162:     torsion ( -0.628,   0.279,  -5.824)  ( -0.628,   0.280,  -5.821)  ( 0.01,  0.01,  0.05)
162:     oop     ( -0.028,   0.097,   0.238)  ( -0.028,   0.097,   0.238)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 14.867,   8.063,  -2.849)  ( 14.868,   8.063,  -2.849)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.027,  -0.120,   0.028)  ( -0.027,  -0.120,   0.028)  ( 0.00,  0.00,  0.00)
162: 12       ( -9.502,  -5.347,   2.856)  ( -9.497,  -5.334,   2.859)  ( 0.04,  0.24,  0.10)
162:     bond    ( -0.172,  -3.228,   1.215)  ( -0.171,  -3.216,   1.217)  ( 0.00,  0.39,  0.15)
162:     angle   (-17.373,   0.415,  -1.350)  (-17.370,   0.415,  -1.350)  ( 0.02,  0.00,  0.01)
162:     torsion ( -0.986,   2.554,   6.610)  ( -0.986,   2.555,   6.611)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.068,   0.230,   0.598)  ( -0.068,   0.230,   0.598)  ( 0.00,  0.00,  0.01)
162:     vdw     (  8.319,  -3.681,  -4.283)  (  8.320,  -3.681,  -4.283)  ( 0.01,  0.00,  0.00)
162:     electro (  0.778,  -1.637,   0.066)  (  0.778,  -1.637,   0.066)  ( 0.00,  0.00,  0.00)
162: 13       ( 35.280,  -2.720,   5.343)  ( 35.316,  -2.686,   5.352)  ( 0.10,  1.28,  0.16)
162:     bond    (-17.572,  68.840, -24.748)  (-17.546,  68.867, -24.745)  ( 0.15,  0.04,  0.01)
162:     angle   ( 53.028, -48.241,  22.126)  ( 53.038, -48.234,  22.127)  ( 0.02,  0.02,  0.00)
162:     torsion (  0.215,  -1.026,  -3.228)  (  0.215,  -1.025,  -3.224)  ( 0.00,  0.04,  0.12)
162:     oop     ( -0.098,   0.247,   0.753)  ( -0.098,   0.247,   0.754)  ( 0.00,  0.00,  0.05)
162:     vdw     (  4.357, -19.538,   9.903)  (  4.358, -19.538,   9.903)  ( 0.02,  0.00,  0.00)
162:     electro ( -4.650,  -3.002,   0.537)  ( -4.650,  -3.002,   0.537)  ( 0.00,  0.00,  0.00)
162: 14       (  4.875,  -2.048,   1.248)  (  4.878,  -2.035,   1.250)  ( 0.05,  0.64,  0.17)
162:     bond    ( -0.012,  -0.862,   0.280)  ( -0.012,  -0.849,   0.281)  ( 0.00,  1.12,  0.04)
162:     angle   ( -5.352,  -0.132,  -0.628)  ( -5.350,  -0.132,  -0.628)  ( 0.03,  0.00,  0.00)
162:     torsion ( -0.024,   0.064,   0.192)  ( -0.024,   0.064,   0.193)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.006,   0.017,   0.051)  ( -0.006,   0.017,   0.051)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 11.767,  -1.427,   1.446)  ( 11.768,  -1.427,   1.446)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.497,   0.293,  -0.093)  ( -1.497,   0.293,  -0.093)  ( 0.00,  0.00,  0.00)
162: 15       (-29.961, -53.287,  21.519)  (-29.949, -53.279,  21.521)  ( 0.04,  0.01,  0.01)
162:     bond    (  5.687,  -3.544,   1.953)  (  5.698,  -3.540,   1.954)  ( 0.18,  0.11,  0.06)
162:     angle   ( 17.524,  24.913,  -5.968)  ( 17.525,  24.915,  -5.968)  ( 0.01,  0.01,  0.00)
162:     torsion (  0.283,  -0.691,  -2.078)  (  0.283,  -0.691,  -2.077)  ( 0.00,  0.01,  0.04)
162:     oop     (  0.033,  -0.079,  -0.240)  (  0.033,  -0.079,  -0.240)  ( 0.00,  0.00,  0.00)
162:     vdw     (-55.285, -74.520,  28.523)  (-55.284, -74.518,  28.523)  ( 0.00,  0.00,  0.00)
162:     electro (  1.796,   0.634,  -0.671)  (  1.796,   0.634,  -0.671)  ( 0.00,  0.00,  0.00)
162: 16       (-93.458, -78.831, 108.133)  (-93.427, -78.805, 108.145)  ( 0.03,  0.03,  0.01)
162:     bond    (-86.251, -62.985,  59.792)  (-86.227, -62.966,  59.798)  ( 0.03,  0.03,  0.01)
162:     angle   ( -0.284,  -9.354,  55.228)  ( -0.278,  -9.346,  55.233)  ( 0.19,  0.08,  0.01)
162:     torsion (  4.732,  -8.367,  -0.701)  (  4.732,  -8.367,  -0.701)  ( 0.00,  0.00,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -9.001,  -3.425,  -2.168)  ( -9.000,  -3.425,  -2.168)  ( 0.00,  0.01,  0.00)
162:     electro ( -2.654,   5.299,  -4.017)  ( -2.654,   5.299,  -4.017)  ( 0.00,  0.00,  0.00)
162: 17       (-59.217,  68.094,  99.158)  (-59.200,  68.131,  99.189)  ( 0.03,  0.05,  0.03)
162:     bond    (-14.572,   8.759,  35.421)  (-14.563,   8.786,  35.442)  ( 0.06,  0.31,  0.06)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uw7_gvp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uw8_gvq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uwd_2gg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uwl_895.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uwo_701.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uwp_894.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uxi_g50.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uxn_fda.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uy3_h33.sdf
162:     angle   (-30.431,  50.753,  66.157)  (-30.424,  50.763,  66.167)  ( 0.02,  0.02,  0.01)
162:     torsion (  0.561,  -2.636,   2.948)  (  0.561,  -2.636,   2.949)  ( 0.02,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-14.500,  10.680,  -5.146)  (-14.499,  10.680,  -5.146)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.274,   0.538,  -0.223)  ( -0.274,   0.538,  -0.223)  ( 0.00,  0.00,  0.00)
162: 18       ( 18.743,   7.225,   1.367)  ( 18.754,   7.232,   1.371)  ( 0.06,  0.09,  0.24)
162:     bond    (  9.683,  -6.296,   4.710)  (  9.691,  -6.292,   4.713)  ( 0.09,  0.06,  0.05)
162:     angle   (  5.877,   8.285,  -1.025)  (  5.878,   8.287,  -1.024)  ( 0.02,  0.03,  0.02)
162:     torsion ( -0.696,   0.896,   2.626)  ( -0.696,   0.896,   2.627)  ( 0.00,  0.01,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  9.432,   9.448,  -6.296)  (  9.433,   9.448,  -6.296)  ( 0.00,  0.01,  0.00)
162:     electro ( -5.553,  -5.108,   1.352)  ( -5.553,  -5.108,   1.352)  ( 0.00,  0.00,  0.00)
162: 19       ( 31.262,  -3.433, -23.037)  ( 31.290,  -3.405, -23.010)  ( 0.09,  0.81,  0.12)
162:     bond    ( 16.659, -41.413, -39.745)  ( 16.677, -41.394, -39.726)  ( 0.11,  0.05,  0.05)
162:     angle   ( 28.813,  16.760,   6.269)  ( 28.822,  16.768,   6.277)  ( 0.03,  0.05,  0.12)
162:     torsion ( -4.337,   6.828,  -5.077)  ( -4.337,   6.828,  -5.077)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -9.694,  14.431,  15.138)  ( -9.693,  14.431,  15.138)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.179,  -0.038,   0.379)  ( -0.179,  -0.038,   0.379)  ( 0.00,  0.00,  0.00)
162: 20       ( 34.360,  72.561, -31.770)  ( 34.388,  72.590, -31.743)  ( 0.08,  0.04,  0.08)
162:     bond    (-32.639,  38.555,  -3.353)  (-32.621,  38.574,  -3.334)  ( 0.06,  0.05,  0.56)
162:     angle   ( 15.456,   2.881,  -6.003)  ( 15.465,   2.891,  -5.996)  ( 0.06,  0.32,  0.13)
162:     torsion (  1.494,  -0.570,   7.900)  (  1.494,  -0.570,   7.900)  ( 0.01,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 50.194,  32.876, -30.506)  ( 50.194,  32.877, -30.505)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.145,  -1.181,   0.192)  ( -0.145,  -1.181,   0.192)  ( 0.00,  0.00,  0.00)
162: 21       (  1.450, -13.355,  -5.871)  (  1.461, -13.349,  -5.869)  ( 0.73,  0.05,  0.04)
162:     bond    (  6.671,  -4.488,   0.587)  (  6.681,  -4.484,   0.587)  ( 0.14,  0.10,  0.01)
162:     angle   (-10.824, -17.938, -13.829)  (-10.823, -17.936, -13.827)  ( 0.01,  0.01,  0.02)
162:     torsion (  0.092,   0.258,   0.924)  (  0.092,   0.258,   0.924)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.370,   8.090,   5.502)  (  5.371,   8.090,   5.502)  ( 0.00,  0.00,  0.00)
162:     electro (  0.140,   0.723,   0.945)  (  0.140,   0.723,   0.945)  ( 0.00,  0.00,  0.00)
162: 22       (  5.351,   0.480, -12.277)  (  5.353,   0.484, -12.264)  ( 0.04,  0.18,  0.11)
162:     bond    ( -1.188,   4.315, -13.803)  ( -1.188,   4.316, -13.790)  ( 0.01,  0.03,  0.09)
162:     angle   (  6.627,  -4.394,  -1.946)  (  6.629,  -4.392,  -1.946)  ( 0.03,  0.05,  0.01)
162:     torsion (  0.961,  -1.516,  -0.557)  (  0.961,  -1.516,  -0.557)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.463,   1.716,   3.044)  ( -1.463,   1.716,   3.044)  ( 0.00,  0.00,  0.00)
162:     electro (  0.414,   0.359,   0.986)  (  0.414,   0.359,   0.986)  ( 0.00,  0.00,  0.00)
162: 23       ( -9.348,  66.052,   6.198)  ( -9.321,  66.080,   6.225)  ( 0.29,  0.04,  0.42)
162:     bond    (-15.976, -14.308,   0.725)  (-15.958, -14.290,   0.743)  ( 0.12,  0.12,  1.33)
162:     angle   (  7.263,  52.187,   0.459)  (  7.272,  52.196,   0.467)  ( 0.12,  0.02,  0.34)
162:     torsion (  1.357,   4.220,  -1.018)  (  1.357,   4.220,  -1.017)  ( 0.01,  0.01,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.052,  23.747,   5.943)  ( -2.052,  23.748,   5.943)  ( 0.00,  0.00,  0.00)
162:     electro (  0.060,   0.205,   0.089)  (  0.060,   0.205,   0.089)  ( 0.00,  0.00,  0.00)
162: 24       ( -3.458,   6.379,   4.175)  ( -3.455,   6.388,   4.182)  ( 0.08,  0.14,  0.18)
162:     bond    (  0.248,   7.426,   6.618)  (  0.248,   7.434,   6.624)  ( 0.00,  0.11,  0.09)
162:     angle   (-12.472,  -2.222,   2.957)  (-12.469,  -2.221,   2.959)  ( 0.02,  0.04,  0.04)
162:     torsion (  0.579,  -0.504,   0.544)  (  0.579,  -0.504,   0.544)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  7.907,   3.337,  -6.670)  (  7.908,   3.337,  -6.670)  ( 0.00,  0.00,  0.00)
162:     electro (  0.279,  -1.658,   0.725)  (  0.279,  -1.658,   0.725)  ( 0.00,  0.00,  0.00)
162: 25       ( 47.600, -21.511, -33.250)  ( 47.628, -21.483, -33.223)  ( 0.06,  0.13,  0.08)
162:     bond    (-16.280,  -4.390,   5.193)  (-16.262,  -4.372,   5.211)  ( 0.11,  0.42,  0.35)
162:     angle   ( 40.624,  -7.126, -26.096)  ( 40.633,  -7.117, -26.088)  ( 0.02,  0.12,  0.03)
162:     torsion (  3.611,   0.746,  -2.747)  (  3.611,   0.746,  -2.747)  ( 0.01,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 19.431, -10.560,  -9.544)  ( 19.431, -10.560,  -9.543)  ( 0.00,  0.00,  0.00)
162:     electro (  0.215,  -0.181,  -0.055)  (  0.215,  -0.181,  -0.055)  ( 0.00,  0.00,  0.00)
162: 26       (  5.897,  17.008,  -6.176)  (  5.900,  17.013,  -6.164)  ( 0.06,  0.03,  0.19)
162:     bond    ( -2.112,   4.629, -11.095)  ( -2.112,   4.631, -11.083)  ( 0.02,  0.04,  0.10)
162:     angle   (-11.054,  -0.117,   2.057)  (-11.051,  -0.115,   2.058)  ( 0.02,  0.02,  0.02)
162:     torsion ( -0.718,   1.139,   0.613)  ( -0.718,   1.140,   0.613)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 19.610,  13.361,   1.940)  ( 19.610,  13.361,   1.940)  ( 0.00,  0.00,  0.00)
162:     electro (  0.171,  -2.004,   0.309)  (  0.171,  -2.004,   0.309)  ( 0.00,  0.00,  0.00)
162: 27       (-46.185, -30.348, -10.099)  (-46.161, -30.324, -10.085)  ( 0.05,  0.08,  0.13)
162:     bond    ( -9.157,  -5.246, -10.804)  ( -9.139,  -5.228, -10.797)  ( 0.20,  0.34,  0.06)
162:     angle   (-45.617, -31.019,  -1.758)  (-45.611, -31.014,  -1.751)  ( 0.01,  0.02,  0.35)
162:     torsion ( -5.884,  -3.666,  -0.502)  ( -5.884,  -3.666,  -0.501)  ( 0.00,  0.01,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 12.543,   7.362,   1.613)  ( 12.543,   7.362,   1.613)  ( 0.00,  0.00,  0.00)
162:     electro (  1.930,   2.221,   1.352)  (  1.930,   2.221,   1.352)  ( 0.00,  0.00,  0.00)
162: 28       ( -0.909, -12.252,   5.767)  ( -0.906, -12.248,   5.779)  ( 0.28,  0.03,  0.21)
162:     bond    (  1.926,  -4.995,  11.194)  (  1.926,  -4.992,  11.206)  ( 0.02,  0.05,  0.10)
162:     angle   ( -0.582,  -7.258,  -3.133)  ( -0.579,  -7.256,  -3.133)  ( 0.15,  0.02,  0.01)
162:     torsion ( -0.574,  -4.249,  -1.795)  ( -0.574,  -4.249,  -1.795)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.864,   3.876,  -0.368)  ( -0.864,   3.876,  -0.368)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.815,   0.373,  -0.131)  ( -0.815,   0.373,  -0.131)  ( 0.00,  0.00,  0.00)
162: 29       ( -1.215,  -6.423,  -1.688)  ( -1.213,  -6.414,  -1.680)  ( 0.23,  0.14,  0.43)
162:     bond    ( -0.358,  -5.027,  -4.340)  ( -0.358,  -5.019,  -4.334)  ( 0.00,  0.16,  0.14)
162:     angle   ( -0.867,  -3.780,   4.445)  ( -0.864,  -3.779,   4.447)  ( 0.23,  0.02,  0.03)
162:     torsion (  0.009,   1.724,  -1.997)  (  0.009,   1.724,  -1.997)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.354,   0.043,  -0.205)  (  0.354,   0.043,  -0.205)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.353,   0.616,   0.409)  ( -0.353,   0.616,   0.409)  ( 0.00,  0.00,  0.00)
162: 30       ( -6.845,   0.913,   1.976)  ( -6.834,   0.918,   1.978)  ( 0.16,  0.52,  0.12)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uy5_h35.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uyi_k02.sdf
165:     bond    (  2.062,  -0.697,   1.813)  (  2.066,  -0.696,   1.817)  ( 0.24,  0.04,  0.21)
165:     angle   (  4.094,   8.524,  -1.388)  (  4.094,   8.525,  -1.388)  ( 0.00,  0.01,  0.00)
165:     strbnd  ( -2.194,   1.376,  -2.250)  ( -2.194,   1.376,  -2.250)  ( 0.00,  0.01,  0.00)
165:     torsion (  0.001,  -0.001,  -0.001)  (  0.001,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
165:     oop     (  0.002,  -0.002,  -0.003)  (  0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -4.811,   4.186,  -5.523)  ( -4.811,   4.186,  -5.523)  ( 0.00,  0.01,  0.00)
165:     electro (  0.951, -13.432,   7.439)  (  0.951, -13.432,   7.439)  ( 0.00,  0.00,  0.00)
165: 13       (  0.019,  -0.062,   0.035)  (  0.022,  -0.057,   0.038)  ( 0.01,  0.03,  0.01)
165:     bond    ( -0.415,   6.996,  -3.819)  ( -0.413,   7.000,  -3.818)  ( 0.10,  0.06,  0.03)
165:     angle   (  8.099,   0.357,   5.569)  (  8.100,   0.358,   5.570)  ( 0.01,  0.02,  0.02)
165:     strbnd  ( -1.445,  -0.164,  -0.943)  ( -1.445,  -0.164,  -0.943)  ( 0.01,  0.00,  0.00)
165:     torsion (  0.096,   0.027,   0.051)  (  0.096,   0.027,   0.051)  ( 0.00,  0.00,  0.00)
165:     oop     (  0.002,  -0.001,  -0.003)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -1.982,  -2.198,  -0.300)  ( -1.982,  -2.198,  -0.300)  ( 0.00,  0.00,  0.00)
165:     electro ( -4.335,  -5.079,  -0.519)  ( -4.335,  -5.079,  -0.519)  ( 0.00,  0.00,  0.00)
165: 14       (  0.006,   0.040,  -0.035)  (  0.012,   0.045,  -0.029)  ( 0.00,  0.02,  0.02)
165:     bond    (  2.536,  -3.983,   3.794)  (  2.540,  -3.979,   3.799)  ( 0.17,  0.11,  0.12)
165:     angle   ( -4.065,   3.789,  -4.804)  ( -4.063,   3.791,  -4.803)  ( 0.05,  0.05,  0.04)
165:     strbnd  ( -0.833,   0.598,  -0.890)  ( -0.834,   0.596,  -0.891)  ( 0.05,  0.09,  0.05)
165:     torsion ( -0.191,  -0.892,   0.315)  ( -0.191,  -0.892,   0.315)  ( 0.00,  0.01,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  6.216,   6.029,   1.376)  (  6.216,   6.029,   1.376)  ( 0.00,  0.00,  0.00)
165:     electro ( -3.657,  -5.500,   0.174)  ( -3.657,  -5.500,   0.174)  ( 0.00,  0.00,  0.00)
165: 15       ( -0.047,  -0.022,   0.038)  ( -0.042,  -0.016,   0.044)  ( 0.03,  0.01,  0.02)
165:     bond    ( -2.867,  -2.743,  -0.596)  ( -2.863,  -2.738,  -0.591)  ( 0.15,  0.16,  0.26)
165:     angle   (  3.517,  -2.080,   3.550)  (  3.519,  -2.078,   3.552)  ( 0.05,  0.09,  0.05)
165:     strbnd  (  0.684,   0.667,   0.147)  (  0.683,   0.666,   0.146)  ( 0.06,  0.04,  0.01)
165:     torsion ( -1.441,   4.053,  -3.064)  ( -1.441,   4.053,  -3.064)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.060,   0.081,   0.002)  (  0.060,   0.081,   0.002)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 16       ( -0.011,  -0.078,   0.040)  ( -0.010,  -0.073,   0.042)  ( 0.00,  0.05,  0.01)
165:     bond    ( -0.642,   8.502,  -4.741)  ( -0.642,   8.508,  -4.739)  ( 0.00,  0.07,  0.04)
165:     angle   ( -2.615,  -0.955,  -1.361)  ( -2.614,  -0.955,  -1.360)  ( 0.03,  0.02,  0.04)
165:     strbnd  (  0.050,  -9.018,   4.574)  (  0.050,  -9.018,   4.574)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.486,  -1.486,   1.804)  (  1.486,  -1.486,   1.804)  ( 0.00,  0.00,  0.00)
165:     electro (  1.710,   2.879,  -0.236)  (  1.710,   2.879,  -0.236)  ( 0.00,  0.00,  0.00)
165: 17       ( -0.005,   0.002,  -0.011)  ( -0.004,   0.003,  -0.007)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.079,   0.242,   1.908)  ( -0.079,   0.242,   1.911)  ( 0.00,  0.00,  0.17)
165:     angle   ( -1.927,  -2.302,   0.212)  ( -1.927,  -2.301,   0.212)  ( 0.03,  0.03,  0.00)
165:     strbnd  (  0.174,  -0.470,   0.195)  (  0.174,  -0.470,   0.195)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.269,  -0.028,   0.015)  (  0.269,  -0.028,   0.015)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.559,   2.559,  -2.340)  (  1.559,   2.559,  -2.340)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 18       ( -0.013,   0.008,  -0.002)  ( -0.010,   0.010,  -0.001)  ( 0.00,  0.00,  0.00)
165:     bond    (  1.600,  -0.952,  -0.465)  (  1.603,  -0.952,  -0.465)  ( 0.15,  0.08,  0.01)
165:     angle   ( -1.585,  -2.541,  -0.266)  ( -1.585,  -2.540,  -0.265)  ( 0.01,  0.02,  0.01)
165:     strbnd  (  0.041,  -0.375,   0.383)  (  0.041,  -0.375,   0.383)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.115,   0.081,   0.231)  (  0.115,   0.081,   0.231)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.184,   3.795,   0.115)  ( -0.184,   3.795,   0.115)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 19       ( -0.003,   0.007,  -0.003)  ( -0.003,   0.010,  -0.002)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.011,  -0.341,   0.161)  ( -0.011,  -0.338,   0.162)  ( 0.00,  0.09,  0.01)
165:     angle   ( -0.425,  -0.104,  -0.247)  ( -0.425,  -0.104,  -0.246)  ( 0.02,  0.00,  0.01)
165:     strbnd  ( -0.183,  -0.109,  -0.074)  ( -0.183,  -0.109,  -0.074)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.617,   0.560,   0.156)  (  0.617,   0.560,   0.156)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 20       (  0.031,  -0.017,  -0.014)  (  0.033,  -0.015,  -0.014)  ( 0.01,  0.00,  0.00)
165:     bond    ( -1.142,   0.665,   0.296)  ( -1.140,   0.665,   0.296)  ( 0.21,  0.05,  0.00)
165:     angle   ( -0.598,   0.006,  -2.313)  ( -0.598,   0.007,  -2.313)  ( 0.01,  0.00,  0.02)
165:     strbnd  (  0.341,  -0.436,  -0.190)  (  0.341,  -0.436,  -0.190)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.100,  -1.141,   2.178)  ( -0.100,  -1.141,   2.178)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.529,   0.890,   0.014)  (  1.529,   0.890,   0.014)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 21       (  0.003,   0.010,  -0.024)  (  0.003,   0.010,  -0.020)  ( 0.00,  0.00,  0.01)
165:     bond    (  0.025,  -0.167,  -1.404)  (  0.025,  -0.167,  -1.400)  ( 0.00,  0.00,  0.24)
165:     angle   ( -2.115,   1.092,  -0.168)  ( -2.114,   1.093,  -0.168)  ( 0.03,  0.04,  0.00)
165:     strbnd  ( -0.186,  -0.062,   0.552)  ( -0.186,  -0.062,   0.552)  ( 0.00,  0.00,  0.00)
165:     torsion (  1.253,  -2.101,   0.273)  (  1.253,  -2.101,   0.273)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.026,   1.247,   0.724)  (  1.026,   1.247,   0.724)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: ok 8 # gradients 
165: ok 9 # energy 
165: ----------------------------------------------------------------------------------------
165:                                                                                         
165:   VALIDATE GRADIENTS : semdix.xyz
165:                                                                                         
165:                                                                                         
165: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
165: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uym_k03.sdf
164:     oop     (  0.012,  -0.004,  -0.006)  (  0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 10.865,   5.113,  -8.667)  ( 10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 46       (  8.348, -75.934, -23.913)  (  8.353, -75.928, -23.905)  ( 0.06,  0.01,  0.03)
164:     bond    ( 14.575, -43.264,  -7.494)  ( 14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
164:     angle   (  0.011,   0.075,  -0.029)  (  0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
164:     strbnd  (  4.670, -27.652,  -7.698)  (  4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
164:     torsion ( -0.031,   0.017,  -0.018)  ( -0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.012,   0.004,  -0.006)  ( -0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (-10.865,  -5.113,  -8.667)  (-10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 47       (-38.554, -47.306,  52.205)  (-38.549, -47.297,  52.209)  ( 0.01,  0.02,  0.01)
164:     bond    (-12.136, -26.884,  35.751)  (-12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
164:     angle   ( -0.007,  -0.081,  -0.014)  ( -0.006,  -0.079,  -0.013)  ( 0.00,  0.01,  0.00)
164:     strbnd  (-12.414, -17.160,  20.000)  (-12.413, -17.159,  20.000)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.017,  -0.014,   0.019)  (  0.017,  -0.014,   0.019)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.005,  -0.002,   0.006)  (  0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (-14.019,  -3.165,  -3.556)  (-14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 48       (-37.613,  -0.007, -70.710)  (-37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
164:     bond    (-31.161,  -0.003, -34.133)  (-31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
164:     angle   ( -0.051,  -0.002,  -0.024)  ( -0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
164:     strbnd  (-15.277,  -0.001, -24.743)  (-15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.022,  -0.000,   0.006)  ( -0.021,   0.000,   0.006)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.010,  -0.000,   0.005)  ( -0.011,   0.000,   0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (  8.908,  -0.000, -11.821)  (  8.908,  -0.000, -11.821)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 49       ( 23.900,   8.348,  75.919)  ( 23.905,   8.353,  75.928)  ( 0.02,  0.06,  0.01)
164:     bond    (  7.487,  14.575,  43.256)  (  7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
164:     angle   (  0.026,   0.011,  -0.077)  (  0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
164:     strbnd  (  7.696,   4.670,  27.650)  (  7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.018,  -0.031,  -0.018)  (  0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.006,  -0.012,  -0.004)  (  0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     (  8.667, -10.865,   5.113)  (  8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 50       (-54.913,  35.514, -24.139)  (-54.905,  35.518, -24.134)  ( 0.02,  0.01,  0.02)
164:     bond    (-26.884,  35.751, -12.136)  (-26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
164:     angle   (  8.310,  -2.331,   1.428)  (  8.312,  -2.330,   1.429)  ( 0.02,  0.05,  0.09)
164:     strbnd  (-33.157,   3.792,  -2.400)  (-33.157,   3.793,  -2.399)  ( 0.00,  0.02,  0.04)
164:     torsion ( -0.015,   1.852,   2.983)  ( -0.015,   1.853,   2.983)  ( 0.00,  0.03,  0.01)
164:     oop     ( -0.002,   0.006,   0.005)  ( -0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.165,  -3.556, -14.019)  ( -3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 51       ( -8.357, -75.934, -23.913)  ( -8.353, -75.928, -23.905)  ( 0.04,  0.01,  0.03)
164:     bond    (-14.578, -43.264,  -7.494)  (-14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
164:     angle   ( -0.013,   0.075,  -0.029)  ( -0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
164:     strbnd  ( -4.671, -27.652,  -7.698)  ( -4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
164:     torsion (  0.030,   0.017,  -0.018)  (  0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.012,   0.004,  -0.006)  (  0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 10.865,  -5.113,  -8.667)  ( 10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 52       ( 37.554, -49.775,  56.098)  ( 37.561, -49.767,  56.102)  ( 0.02,  0.02,  0.01)
164:     bond    ( 12.130, -26.884,  35.751)  ( 12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
164:     angle   (  1.671,   3.010,   0.624)  (  1.672,   3.012,   0.625)  ( 0.08,  0.05,  0.07)
164:     strbnd  ( 11.182, -22.719,  19.528)  ( 11.183, -22.718,  19.529)  ( 0.01,  0.00,  0.00)
164:     torsion ( -1.441,  -0.016,   3.746)  ( -1.441,  -0.015,   3.746)  ( 0.03,  0.00,  0.02)
164:     oop     ( -0.006,  -0.002,   0.006)  ( -0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 14.019,  -3.165,  -3.556)  ( 14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 53       ( 57.517,  33.960,  18.680)  ( 57.526,  33.965,  18.684)  ( 0.02,  0.02,  0.02)
164:     bond    ( 43.256,   7.487,  14.575)  ( 43.260,   7.491,  14.577)  ( 0.01,  0.04,  0.01)
164:     angle   ( -5.272,  -6.052,  -3.749)  ( -5.270,  -6.051,  -3.748)  ( 0.03,  0.03,  0.03)
164:     strbnd  ( 14.441,  25.672,  15.790)  ( 14.443,  25.673,  15.791)  ( 0.01,  0.00,  0.00)
164:     torsion ( -0.018,  -1.820,   2.940)  ( -0.018,  -1.820,   2.940)  ( 0.00,  0.02,  0.02)
164:     oop     ( -0.004,   0.006,  -0.012)  ( -0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     (  5.113,   8.667, -10.865)  (  5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 54       (-52.445,  20.194,   0.196)  (-52.439,  20.201,   0.199)  ( 0.01,  0.03,  0.06)
164:     bond    (-30.817,  15.080,  19.379)  (-30.813,  15.086,  19.380)  ( 0.01,  0.03,  0.00)
164:     angle   (  5.186,   6.102,   3.821)  (  5.188,   6.103,   3.822)  ( 0.04,  0.03,  0.02)
164:     strbnd  (-26.815, -14.634, -11.154)  (-26.815, -14.635, -11.154)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.000,   1.831,  -2.952)  (  0.001,   1.831,  -2.951)  ( 0.00,  0.01,  0.02)
164:     oop     ( -0.000,  -0.005,   0.010)  (  0.000,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.000,  11.821,  -8.908)  (  0.000,  11.821,  -8.908)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 55       ( 37.554,  49.762,  56.098)  ( 37.561,  49.767,  56.102)  ( 0.02,  0.01,  0.01)
164:     bond    ( 12.130,  26.876,  35.751)  ( 12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
164:     angle   (  1.671,  -3.013,   0.624)  (  1.672,  -3.012,   0.625)  ( 0.08,  0.05,  0.07)
164:     strbnd  ( 11.182,  22.717,  19.528)  ( 11.183,  22.718,  19.529)  ( 0.01,  0.00,  0.00)
164:     torsion ( -1.441,   0.015,   3.746)  ( -1.441,   0.015,   3.746)  ( 0.03,  0.00,  0.02)
164:     oop     ( -0.006,   0.002,   0.006)  ( -0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 14.019,   3.164,  -3.556)  ( 14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 56       (-38.554,  47.292,  52.205)  (-38.549,  47.297,  52.209)  ( 0.01,  0.01,  0.01)
164:     bond    (-12.136,  26.876,  35.751)  (-12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
164:     angle   ( -0.007,   0.078,  -0.014)  ( -0.006,   0.079,  -0.013)  ( 0.00,  0.01,  0.00)
164:     strbnd  (-12.414,  17.157,  20.000)  (-12.413,  17.159,  20.000)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.017,   0.014,   0.019)  (  0.017,   0.014,   0.019)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.005,   0.002,   0.006)  (  0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (-14.019,   3.164,  -3.556)  (-14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uzl_c94.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uzt_ss3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uzv_ss5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2uzw_ss4.sdf
165:  1       ( -0.039,  -0.073,   0.047)  ( -0.036,  -0.064,   0.051)  ( 0.01,  0.06,  0.02)
165:     bond    ( -7.512,   1.783,  -2.223)  ( -7.509,   1.791,  -2.220)  ( 0.04,  0.44,  0.14)
165:     angle   (  9.520,   8.593,   6.171)  (  9.521,   8.594,   6.173)  ( 0.01,  0.01,  0.03)
165:     strbnd  (-12.566,   3.932,  -2.829)  (-12.567,   3.932,  -2.830)  ( 0.00,  0.01,  0.02)
165:     torsion (  0.272,   0.999,  -0.774)  (  0.272,   0.999,  -0.774)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  8.163, -13.337,  -0.869)  (  8.163, -13.337,  -0.869)  ( 0.00,  0.00,  0.00)
165:     electro (  2.084,  -2.043,   0.571)  (  2.084,  -2.043,   0.571)  ( 0.00,  0.00,  0.00)
165:  2       ( -0.001,  -0.011,   0.004)  (  0.000,  -0.009,   0.007)  ( 0.00,  0.00,  0.00)
165:     bond    (  0.455,   0.358,  -0.667)  (  0.457,   0.359,  -0.665)  ( 0.05,  0.03,  0.16)
165:     angle   (  4.611,  -3.755,   1.139)  (  4.612,  -3.754,   1.139)  ( 0.01,  0.02,  0.02)
165:     strbnd  ( -0.238,   1.721,   0.675)  ( -0.238,   1.720,   0.675)  ( 0.00,  0.00,  0.01)
165:     torsion (  0.420,  -0.286,   0.134)  (  0.420,  -0.286,   0.134)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  3.879,  -9.651,   0.860)  (  3.879,  -9.651,   0.860)  ( 0.00,  0.00,  0.00)
165:     electro ( -9.129,  11.602,  -2.137)  ( -9.129,  11.602,  -2.137)  ( 0.00,  0.00,  0.00)
165:  3       (  0.003,  -0.013,   0.006)  (  0.004,  -0.007,   0.006)  ( 0.00,  0.01,  0.00)
165:     bond    (  0.045,  -0.386,  -0.051)  (  0.045,  -0.380,  -0.051)  ( 0.00,  0.23,  0.00)
165:     angle   ( -3.619,  -0.541,   0.864)  ( -3.619,  -0.541,   0.864)  ( 0.02,  0.00,  0.03)
165:     strbnd  ( -0.660,   0.252,  -0.120)  ( -0.660,   0.252,  -0.120)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.212,  -0.151,   0.948)  ( -0.212,  -0.151,   0.948)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.344,  -0.504,   0.445)  (  1.344,  -0.504,   0.445)  ( 0.00,  0.00,  0.00)
165:     electro (  3.105,   1.317,  -2.081)  (  3.105,   1.317,  -2.081)  ( 0.00,  0.00,  0.00)
165:  4       (  0.044,   0.056,  -0.067)  (  0.045,   0.058,  -0.063)  ( 0.01,  0.01,  0.02)
165:     bond    ( -0.400,  -0.524,   0.650)  ( -0.398,  -0.522,   0.653)  ( 0.04,  0.10,  0.20)
165:     angle   ( -5.854,   2.869,  -1.277)  ( -5.853,   2.870,  -1.277)  ( 0.01,  0.01,  0.01)
165:     strbnd  ( -1.135,  -0.538,   0.610)  ( -1.135,  -0.538,   0.610)  ( 0.01,  0.01,  0.01)
165:     torsion (  0.032,  -0.698,  -0.538)  (  0.032,  -0.698,  -0.538)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( 10.552,  -8.215,   3.363)  ( 10.552,  -8.215,   3.363)  ( 0.00,  0.00,  0.00)
165:     electro ( -3.151,   7.161,  -2.875)  ( -3.151,   7.161,  -2.875)  ( 0.00,  0.00,  0.00)
165:  5       ( -0.016,  -0.032,  -0.036)  ( -0.011,  -0.028,  -0.031)  ( 0.01,  0.02,  0.02)
165:     bond    (  8.665,  -5.869,  -2.407)  (  8.668,  -5.866,  -2.405)  ( 0.03,  0.04,  0.11)
165:     angle   ( 14.891, -11.135,  -0.108)  ( 14.893, -11.133,  -0.105)  ( 0.02,  0.02,  0.03)
165:     strbnd  ( -4.622,   7.292,  -0.077)  ( -4.623,   7.291,  -0.078)  ( 0.02,  0.01,  0.01)
165:     torsion (  0.115,  -0.478,   0.649)  (  0.115,  -0.478,   0.649)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.615,  -0.366,   0.687)  (  0.615,  -0.366,   0.687)  ( 0.00,  0.00,  0.00)
165:     electro (-19.678,  10.524,   1.221)  (-19.678,  10.524,   1.221)  ( 0.00,  0.00,  0.00)
165:  6       ( -0.030,   0.012,   0.002)  ( -0.026,   0.016,   0.008)  ( 0.01,  0.01,  0.00)
165:     bond    ( -5.107,  28.856,  -3.817)  ( -5.104,  28.859,  -3.812)  ( 0.06,  0.01,  0.13)
165:     angle   (-16.294, -14.070,  -0.576)  (-16.291, -14.068,  -0.574)  ( 0.02,  0.02,  0.12)
165:     strbnd  ( 14.404,  -7.085,   3.027)  ( 14.402,  -7.086,   3.026)  ( 0.01,  0.01,  0.02)
165:     torsion (  0.382,  -0.345,   0.073)  (  0.382,  -0.345,   0.073)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  6.585,  -7.344,   1.295)  (  6.585,  -7.344,   1.295)  ( 0.00,  0.00,  0.01)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:  7       ( -0.008,   0.056,   0.024)  ( -0.002,   0.062,   0.028)  ( 0.00,  0.03,  0.01)
165:     bond    (-17.495,  -2.527,  22.456)  (-17.491,  -2.523,  22.459)  ( 0.02,  0.17,  0.01)
165:     angle   (  6.906,   4.793, -20.315)  (  6.908,   4.795, -20.313)  ( 0.03,  0.05,  0.01)
165:     strbnd  ( -0.312,   0.860,  -1.629)  ( -0.313,   0.860,  -1.630)  ( 0.02,  0.06,  0.07)
165:     torsion (  0.078,   0.540,   0.603)  (  0.078,   0.540,   0.603)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.365,   6.410,  -7.993)  (  0.365,   6.411,  -7.993)  ( 0.01,  0.00,  0.00)
165:     electro ( 10.449, -10.021,   6.902)  ( 10.449, -10.021,   6.902)  ( 0.00,  0.00,  0.00)
165:  8       ( -0.016,   0.021,   0.017)  ( -0.011,   0.026,   0.023)  ( 0.01,  0.01,  0.01)
165:     bond    (  5.818,  -7.958,   2.136)  (  5.822,  -7.954,   2.140)  ( 0.08,  0.05,  0.20)
165:     angle   ( -9.508,   5.167,   2.401)  ( -9.507,   5.169,   2.402)  ( 0.02,  0.04,  0.07)
165:     strbnd  ( -1.075,  -2.063,   3.999)  ( -1.075,  -2.064,   3.999)  ( 0.05,  0.04,  0.01)
165:     torsion (  1.216,   0.373,  -0.759)  (  1.216,   0.373,  -0.759)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  3.533,   4.502,  -7.760)  (  3.533,   4.502,  -7.760)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:  9       ( -0.034,   0.039,   0.014)  ( -0.028,   0.044,   0.018)  ( 0.02,  0.02,  0.01)
165:     bond    (-10.691, -17.476, -11.199)  (-10.687, -17.472, -11.195)  ( 0.04,  0.02,  0.03)
165:     angle   (  6.844,  25.523,   4.420)  (  6.847,  25.525,   4.423)  ( 0.03,  0.01,  0.05)
165:     strbnd  ( -0.703,  -2.771,   2.914)  ( -0.704,  -2.772,   2.913)  ( 0.03,  0.03,  0.04)
165:     torsion ( -1.271,   0.298,  -0.007)  ( -1.271,   0.298,  -0.007)  ( 0.01,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.611,   6.133,   7.845)  ( -0.611,   6.133,   7.845)  ( 0.01,  0.00,  0.00)
165:     electro (  6.398, -11.668,  -3.961)  (  6.398, -11.668,  -3.961)  ( 0.00,  0.00,  0.00)
165: 10       ( -0.043,   0.023,  -0.058)  ( -0.037,   0.029,  -0.053)  ( 0.03,  0.01,  0.03)
165:     bond    (  2.273,   4.210,  -7.157)  (  2.278,   4.215,  -7.153)  ( 0.20,  0.11,  0.06)
165:     angle   ( -4.782,  -9.381,   5.110)  ( -4.780,  -9.380,   5.112)  ( 0.04,  0.02,  0.04)
165:     strbnd  ( -0.590,  -1.767,  -5.703)  ( -0.590,  -1.768,  -5.704)  ( 0.03,  0.02,  0.02)
165:     torsion (  0.624,   0.972,   0.410)  (  0.624,   0.972,   0.410)  ( 0.00,  0.01,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  2.432,   5.989,   7.283)  (  2.432,   5.989,   7.283)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 11       (  0.006,  -0.014,   0.008)  (  0.010,  -0.008,   0.014)  ( 0.00,  0.01,  0.00)
165:     bond    ( 18.679,  -2.807,  -6.521)  ( 18.682,  -2.803,  -6.517)  ( 0.02,  0.16,  0.07)
165:     angle   (-21.205,  14.183,   9.289)  (-21.203,  14.185,   9.291)  ( 0.01,  0.01,  0.02)
165:     strbnd  (  1.878,  -2.321,  -3.338)  (  1.877,  -2.322,  -3.338)  ( 0.08,  0.02,  0.02)
165:     torsion (  0.229,  -0.649,  -0.324)  (  0.229,  -0.649,  -0.324)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -9.496,  -1.546,  -1.456)  ( -9.496,  -1.546,  -1.456)  ( 0.00,  0.01,  0.01)
165:     electro (  9.922,  -6.874,   2.359)  (  9.922,  -6.874,   2.359)  ( 0.00,  0.00,  0.00)
165: 12       ( -0.001,   0.032,   0.005)  (  0.005,   0.038,   0.010)  ( 0.00,  0.02,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v00_v15.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v0i_ud1.sdf
162:     bond    ( -5.928,   3.515,  -0.385)  ( -5.918,   3.519,  -0.385)  ( 0.17,  0.10,  0.00)
162:     angle   ( -1.889,  -2.662,   4.706)  ( -1.888,  -2.660,   4.708)  ( 0.03,  0.07,  0.05)
162:     torsion (  0.545,   0.691,  -2.056)  (  0.545,   0.691,  -2.056)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.142,   0.376,  -0.048)  (  0.142,   0.376,  -0.048)  ( 0.00,  0.00,  0.00)
162:     electro (  0.286,  -1.007,  -0.241)  (  0.286,  -1.007,  -0.241)  ( 0.00,  0.00,  0.00)
162: 31       ( -8.087,  -2.126,  10.829)  ( -8.084,  -2.122,  10.842)  ( 0.03,  0.18,  0.12)
162:     bond    (  1.295,  -3.749,  11.836)  (  1.296,  -3.748,  11.849)  ( 0.02,  0.04,  0.11)
162:     angle   ( -7.992,   2.748,   1.743)  ( -7.990,   2.750,   1.744)  ( 0.03,  0.08,  0.01)
162:     torsion ( -3.829,   1.331,   0.840)  ( -3.829,   1.331,   0.840)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.640,  -1.381,  -2.928)  (  2.640,  -1.381,  -2.928)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.202,  -1.073,  -0.663)  ( -0.202,  -1.073,  -0.663)  ( 0.00,  0.00,  0.00)
162: 32       (  3.782,  -2.362,  12.697)  (  3.792,  -2.354,  12.701)  ( 0.25,  0.34,  0.03)
162:     bond    ( -2.410,  -2.075,   1.208)  ( -2.402,  -2.069,   1.210)  ( 0.34,  0.30,  0.17)
162:     angle   (  2.377,   0.318,   5.268)  (  2.378,   0.320,   5.269)  ( 0.04,  0.06,  0.02)
162:     torsion (  3.459,  -0.401,   6.184)  (  3.460,  -0.401,   6.184)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.196,  -0.114,  -0.019)  ( -0.196,  -0.114,  -0.019)  ( 0.00,  0.00,  0.00)
162:     electro (  0.552,  -0.089,   0.057)  (  0.552,  -0.089,   0.057)  ( 0.00,  0.00,  0.00)
162: 33       ( 14.707,  15.392,  24.561)  ( 14.712,  15.418,  24.561)  ( 0.03,  0.17,  0.00)
162:     bond    (  2.460,  14.832,  -0.289)  (  2.461,  14.859,  -0.288)  ( 0.03,  0.18,  0.00)
162:     angle   ( 44.102,  -7.196,   5.657)  ( 44.106,  -7.196,   5.657)  ( 0.01,  0.00,  0.00)
162:     torsion ( -3.348,   1.119,  29.067)  ( -3.348,   1.119,  29.067)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-13.195,  -1.613,  -5.003)  (-13.195,  -1.613,  -5.003)  ( 0.00,  0.00,  0.00)
162:     electro (-15.312,   8.249,  -4.872)  (-15.312,   8.249,  -4.872)  ( 0.00,  0.00,  0.00)
162: 34       ( 90.156, -169.662,   6.911)  ( 90.180, -169.641,   6.913)  ( 0.03,  0.01,  0.03)
162:     bond    (113.119, -119.745,  19.428)  (113.140, -119.731,  19.429)  ( 0.02,  0.01,  0.01)
162:     angle   ( 20.434, -27.807,   4.485)  ( 20.435, -27.801,   4.485)  ( 0.01,  0.02,  0.01)
162:     torsion (  2.332,  -0.887, -19.412)  (  2.332,  -0.887, -19.411)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-42.736, -28.761,   6.436)  (-42.735, -28.761,   6.436)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.992,   7.539,  -4.026)  ( -2.992,   7.539,  -4.026)  ( 0.00,  0.00,  0.00)
162: 35       (  2.054,  31.026,  -2.404)  (  2.065,  31.033,  -2.403)  ( 0.51,  0.02,  0.03)
162:     bond    ( 17.628,  13.996,   1.112)  ( 17.637,  14.002,   1.112)  ( 0.05,  0.04,  0.01)
162:     angle   (-21.183,  26.990,  -3.906)  (-21.182,  26.991,  -3.906)  ( 0.00,  0.00,  0.00)
162:     torsion (  0.171,  -0.091,  -1.558)  (  0.171,  -0.091,  -1.558)  ( 0.00,  0.00,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro (  5.438,  -9.868,   1.948)  (  5.438,  -9.868,   1.948)  ( 0.00,  0.00,  0.00)
162: 36       ( 19.874,  -0.962, -15.567)  ( 19.910,  -0.941, -15.541)  ( 0.18,  2.01,  0.17)
162:     bond    ( 20.777, -25.063, -11.073)  ( 20.805, -25.050, -11.056)  ( 0.13,  0.05,  0.15)
162:     angle   (  2.785,  15.055,  -3.975)  (  2.794,  15.063,  -3.965)  ( 0.31,  0.06,  0.25)
162:     torsion ( -5.968,   1.304,  -1.007)  ( -5.968,   1.303,  -1.007)  ( 0.00,  0.03,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.063,   8.544,   0.466)  (  2.063,   8.544,   0.466)  ( 0.00,  0.00,  0.00)
162:     electro (  0.216,  -0.802,   0.022)  (  0.216,  -0.802,   0.022)  ( 0.00,  0.00,  0.00)
162: 37       ( -5.930,  -4.258, -25.737)  ( -5.904,  -4.232, -25.705)  ( 0.43,  0.61,  0.13)
162:     bond    ( -2.461, -26.438, -16.460)  ( -2.444, -26.421, -16.438)  ( 0.72,  0.07,  0.13)
162:     angle   ( -1.129,  12.699, -13.147)  ( -1.122,  12.708, -13.137)  ( 0.68,  0.07,  0.08)
162:     torsion (  4.307,   3.398,   2.906)  (  4.307,   3.398,   2.906)  ( 0.01,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.798,   6.828,   1.015)  ( -6.798,   6.828,   1.015)  ( 0.00,  0.00,  0.00)
162:     electro (  0.152,  -0.745,  -0.051)  (  0.152,  -0.745,  -0.051)  ( 0.00,  0.00,  0.00)
162: 38       (  1.190,   5.045,  -6.234)  (  1.194,   5.051,  -6.225)  ( 0.39,  0.12,  0.13)
162:     bond    ( -2.309,   4.051,  -4.780)  ( -2.307,   4.057,  -4.773)  ( 0.07,  0.13,  0.15)
162:     angle   (  1.551,   1.029,   0.123)  (  1.554,   1.029,   0.124)  ( 0.19,  0.07,  0.01)
162:     torsion (  3.107,  -0.067,  -1.559)  (  3.106,  -0.067,  -1.559)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.931,  -0.156,   0.009)  ( -0.931,  -0.156,   0.009)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.227,   0.189,  -0.027)  ( -0.227,   0.189,  -0.027)  ( 0.00,  0.00,  0.00)
162: 39       ( -2.417,  -7.673,   6.179)  ( -2.408,  -7.670,   6.186)  ( 0.35,  0.04,  0.13)
162:     bond    ( -4.552,  -1.713,   4.541)  ( -4.546,  -1.712,   4.548)  ( 0.15,  0.05,  0.15)
162:     angle   (  1.497,  -7.841,  -1.454)  (  1.498,  -7.839,  -1.453)  ( 0.12,  0.02,  0.08)
162:     torsion (  2.759,  -1.370,   2.242)  (  2.759,  -1.370,   2.242)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.001,   3.070,   0.732)  ( -2.001,   3.070,   0.732)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.119,   0.181,   0.117)  ( -0.119,   0.181,   0.117)  ( 0.00,  0.00,  0.00)
162: 40       (  2.495,   5.396,  -5.771)  (  2.500,   5.404,  -5.765)  ( 0.21,  0.15,  0.09)
162:     bond    (  3.908,   5.356,  -3.020)  (  3.913,   5.364,  -3.017)  ( 0.11,  0.15,  0.08)
162:     angle   ( -1.013,   0.507,  -0.412)  ( -1.012,   0.508,  -0.409)  ( 0.12,  0.03,  0.12)
162:     torsion ( -1.277,  -0.746,  -2.982)  ( -1.277,  -0.746,  -2.982)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.905,   0.007,   0.589)  (  0.905,   0.007,   0.589)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.029,   0.272,   0.054)  ( -0.029,   0.272,   0.054)  ( 0.00,  0.00,  0.00)
162: 41       ( -0.002,  -4.405,   6.787)  (  0.000,  -4.402,   6.801)  ( 0.00,  0.06,  0.20)
162:     bond    (  1.119,  -0.900,   5.841)  (  1.120,  -0.900,   5.855)  ( 0.04,  0.03,  0.23)
162:     angle   (  0.861,  -2.684,  -0.577)  (  0.863,  -2.682,  -0.577)  ( 0.19,  0.09,  0.00)
162:     torsion ( -2.950,  -2.613,   0.162)  ( -2.950,  -2.613,   0.162)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.125,   1.757,   1.262)  (  1.125,   1.757,   1.262)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.157,   0.035,   0.098)  ( -0.157,   0.035,   0.098)  ( 0.00,  0.00,  0.00)
162: 42       (  8.231, -46.377,   3.047)  (  8.233, -46.373,   3.061)  ( 0.03,  0.01,  0.43)
162:     bond    ( -1.187,  -0.100,   3.673)  ( -1.186,  -0.100,   3.686)  ( 0.12,  0.00,  0.36)
162:     angle   (  9.928, -50.673,   1.815)  (  9.929, -50.669,   1.815)  ( 0.01,  0.01,  0.00)
162:     torsion ( -0.764,   3.743,  -0.144)  ( -0.764,   3.743,  -0.144)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.037,  -0.220,  -0.845)  (  0.037,  -0.220,  -0.844)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v0z_c41.sdf
165:     bond    (  1.992,   4.956,   6.984)  (  1.996,   4.961,   6.989)  ( 0.21,  0.09,  0.06)
165:     angle   (  3.962,  -6.006,  -8.362)  (  3.964,  -6.004,  -8.360)  ( 0.04,  0.03,  0.02)
165:     strbnd  (  4.498,   2.135,   1.871)  (  4.497,   2.135,   1.870)  ( 0.01,  0.03,  0.04)
165:     torsion ( -1.062,   0.377,   0.291)  ( -1.062,   0.377,   0.291)  ( 0.01,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -9.391,  -1.430,  -0.779)  ( -9.391,  -1.430,  -0.779)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 13       (  0.009,   0.002,   0.000)  (  0.010,   0.004,   0.003)  ( 0.00,  0.00,  0.00)
165:     bond    (  0.237,   0.694,   1.067)  (  0.237,   0.695,   1.069)  ( 0.00,  0.07,  0.22)
165:     angle   ( -2.166,   2.271,  -0.996)  ( -2.166,   2.271,  -0.996)  ( 0.03,  0.02,  0.02)
165:     strbnd  ( -0.528,   2.326,  -1.506)  ( -0.528,   2.326,  -1.506)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.333,   0.625,  -0.333)  ( -0.333,   0.625,  -0.333)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  2.799,  -5.914,   1.768)  (  2.799,  -5.914,   1.768)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 14       (  0.001,  -0.041,  -0.025)  (  0.002,  -0.038,  -0.023)  ( 0.00,  0.01,  0.00)
165:     bond    (  0.121,   0.978,   0.855)  (  0.121,   0.980,   0.856)  ( 0.00,  0.19,  0.12)
165:     angle   ( -0.835,  -2.814,   3.339)  ( -0.835,  -2.814,   3.339)  ( 0.04,  0.01,  0.01)
165:     strbnd  ( -1.501,  -1.444,   1.827)  ( -1.501,  -1.444,   1.827)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.525,   0.316,  -0.288)  ( -0.525,   0.316,  -0.288)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  2.741,   2.922,  -5.758)  (  2.741,   2.922,  -5.758)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 15       ( -0.009,  -0.007,  -0.008)  ( -0.006,  -0.006,  -0.008)  ( 0.00,  0.00,  0.00)
165:     bond    (  2.025,   0.488,   0.203)  (  2.028,   0.489,   0.203)  ( 0.16,  0.01,  0.00)
165:     angle   (  0.918,  -6.276,   5.935)  (  0.918,  -6.276,   5.935)  ( 0.00,  0.01,  0.01)
165:     strbnd  (  0.315,  -0.157,   2.848)  (  0.315,  -0.157,   2.848)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.156,  -0.632,  -0.038)  (  0.156,  -0.632,  -0.038)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -3.424,   6.571,  -8.956)  ( -3.423,   6.571,  -8.956)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 16       (  0.004,  -0.019,  -0.010)  (  0.005,  -0.017,  -0.009)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.003,  -0.033,  -0.027)  ( -0.003,  -0.031,  -0.026)  ( 0.00,  0.01,  0.00)
165:     angle   (  0.672,  -2.508,   2.974)  (  0.672,  -2.507,   2.974)  ( 0.03,  0.01,  0.01)
165:     strbnd  (  0.326,  -0.072,   0.486)  (  0.326,  -0.072,   0.486)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.349,  -0.122,   0.183)  ( -0.349,  -0.122,   0.183)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.641,   2.715,  -3.627)  ( -0.641,   2.716,  -3.627)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 17       ( -0.002,  -0.006,  -0.010)  ( -0.001,  -0.005,  -0.007)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.770,  -0.513,   1.530)  ( -0.769,  -0.513,   1.533)  ( 0.05,  0.01,  0.16)
165:     angle   (  0.484,  -0.101,   0.210)  (  0.485,  -0.100,   0.210)  ( 0.02,  0.00,  0.00)
165:     strbnd  (  0.903,  -0.019,  -1.089)  (  0.903,  -0.019,  -1.089)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.167,  -0.152,  -0.135)  ( -0.167,  -0.152,  -0.135)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.453,   0.779,  -0.526)  ( -0.453,   0.779,  -0.526)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 18       (  0.009,  -0.007,  -0.006)  (  0.013,  -0.006,  -0.005)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.186,  -0.031,  -0.038)  ( -0.183,  -0.031,  -0.038)  ( 0.06,  0.00,  0.00)
165:     angle   ( -0.001,  -3.690,   3.012)  ( -0.001,  -3.689,   3.012)  ( 0.00,  0.01,  0.01)
165:     strbnd  ( -0.238,  -0.555,   0.057)  ( -0.238,  -0.555,   0.057)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.181,   0.195,   0.704)  ( -0.181,   0.195,   0.704)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.615,   4.074,  -3.740)  (  0.615,   4.074,  -3.740)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 19       (  0.019,  -0.041,   0.008)  (  0.020,  -0.038,   0.009)  ( 0.00,  0.01,  0.00)
165:     bond    (  0.677,  -1.445,   0.292)  (  0.678,  -1.442,   0.292)  ( 0.04,  0.19,  0.00)
165:     angle   ( -1.005,  -1.216,  -3.671)  ( -1.005,  -1.216,  -3.670)  ( 0.04,  0.01,  0.02)
165:     strbnd  ( -1.742,  -0.148,  -1.789)  ( -1.742,  -0.148,  -1.789)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.210,   0.090,  -0.042)  (  0.210,   0.090,  -0.042)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.877,   2.677,   5.218)  (  1.877,   2.677,   5.218)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 20       ( -0.005,  -0.001,   0.002)  ( -0.002,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.952,  -0.106,   0.112)  ( -0.948,  -0.106,   0.112)  ( 0.32,  0.00,  0.00)
165:     angle   (  0.138,  -5.030,  -3.586)  (  0.138,  -5.030,  -3.585)  ( 0.00,  0.01,  0.02)
165:     strbnd  (  0.526,  -1.605,  -1.670)  (  0.526,  -1.605,  -1.670)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.072,  -0.421,   0.214)  (  0.072,  -0.421,   0.214)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.210,   7.161,   4.932)  (  0.210,   7.161,   4.932)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 21       (  0.018,  -0.034,   0.016)  (  0.019,  -0.031,   0.017)  ( 0.00,  0.01,  0.00)
165:     bond    (  0.310,  -0.673,   0.202)  (  0.310,  -0.671,   0.202)  ( 0.02,  0.18,  0.00)
165:     angle   (  0.167,  -1.396,  -4.895)  (  0.167,  -1.396,  -4.895)  ( 0.01,  0.01,  0.01)
165:     strbnd  (  0.282,  -0.193,  -0.326)  (  0.282,  -0.193,  -0.326)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.415,  -0.240,  -0.161)  ( -0.415,  -0.240,  -0.161)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.326,   2.469,   5.196)  ( -0.326,   2.469,   5.196)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 22       (  0.021,   0.013,   0.021)  (  0.022,   0.015,   0.022)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.705,  -1.304,  -1.176)  ( -0.704,  -1.303,  -1.174)  ( 0.03,  0.12,  0.11)
165:     angle   (  0.266,   0.180,  -0.359)  (  0.266,   0.180,  -0.359)  ( 0.01,  0.00,  0.01)
165:     strbnd  (  0.688,   1.241,   0.578)  (  0.688,   1.241,   0.578)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.120,   0.072,  -0.007)  ( -0.120,   0.072,  -0.007)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.109,  -0.174,   0.986)  ( -0.109,  -0.174,   0.986)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 23       ( -0.000,  -0.006,  -0.006)  (  0.003,  -0.006,  -0.006)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.046,  -0.002,   0.007)  ( -0.043,  -0.002,   0.007)  ( 0.02,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v10_c61.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v11_c80.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v12_c39.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v13_c40.sdf
165:     angle   ( -0.685,  -1.089,  -4.223)  ( -0.685,  -1.089,  -4.222)  ( 0.00,  0.04,  0.01)
165:     strbnd  ( -0.401,   0.150,  -0.337)  ( -0.401,   0.150,  -0.337)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.006,  -0.562,  -0.156)  ( -0.006,  -0.562,  -0.156)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.137,   1.497,   4.703)  (  1.137,   1.497,   4.703)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 24       (  0.001,   0.001,  -0.010)  (  0.002,   0.002,  -0.007)  ( 0.00,  0.00,  0.00)
165:     bond    (  0.241,   0.312,  -0.823)  (  0.241,   0.312,  -0.820)  ( 0.01,  0.01,  0.23)
165:     angle   (  6.530,  -0.021,   1.914)  (  6.530,  -0.020,   1.914)  ( 0.01,  0.00,  0.01)
165:     strbnd  (  1.607,  -0.705,   1.140)  (  1.607,  -0.705,   1.140)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.241,   0.199,   0.005)  ( -0.241,   0.199,   0.005)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -8.135,   0.216,  -2.247)  ( -8.135,   0.216,  -2.246)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 25       (  0.001,  -0.003,  -0.006)  (  0.002,  -0.000,  -0.005)  ( 0.00,  0.00,  0.00)
165:     bond    (  0.584,  -1.508,   0.127)  (  0.584,  -1.505,   0.127)  ( 0.03,  0.19,  0.00)
165:     angle   (  3.179,   1.068,  -1.976)  (  3.180,   1.068,  -1.975)  ( 0.02,  0.01,  0.03)
165:     strbnd  (  1.545,   1.128,  -0.502)  (  1.545,   1.128,  -0.502)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.227,   0.048,  -0.478)  (  0.227,   0.048,  -0.478)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -5.534,  -0.739,   2.823)  ( -5.534,  -0.739,   2.823)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 26       (  0.000,  -0.022,  -0.005)  (  0.001,  -0.019,  -0.005)  ( 0.00,  0.01,  0.00)
165:     bond    ( -0.113,   0.424,  -0.059)  ( -0.112,   0.427,  -0.059)  ( 0.00,  0.13,  0.00)
165:     angle   (  3.229,   1.089,   1.750)  (  3.230,   1.089,   1.750)  ( 0.01,  0.00,  0.03)
165:     strbnd  (  0.321,  -0.323,   0.447)  (  0.321,  -0.323,   0.447)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.630,   0.104,  -0.450)  (  0.630,   0.104,  -0.450)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -4.068,  -1.316,  -1.694)  ( -4.067,  -1.316,  -1.694)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 27       (  0.003,  -0.007,  -0.005)  (  0.004,  -0.006,  -0.002)  ( 0.00,  0.00,  0.00)
165:     bond    (  0.111,   0.117,  -0.410)  (  0.111,   0.118,  -0.407)  ( 0.00,  0.00,  0.12)
165:     angle   (  3.583,   2.700,   1.758)  (  3.583,   2.701,   1.758)  ( 0.01,  0.02,  0.00)
165:     strbnd  (  0.267,   0.398,   0.009)  (  0.267,   0.398,   0.009)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.217,  -0.162,   0.012)  (  0.217,  -0.162,   0.012)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -4.174,  -3.061,  -1.375)  ( -4.174,  -3.061,  -1.375)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 28       ( -0.011,  -0.006,   0.002)  ( -0.007,  -0.005,   0.002)  ( 0.00,  0.00,  0.00)
165:     bond    (  1.690,  -0.082,  -0.103)  (  1.693,  -0.082,  -0.103)  ( 0.20,  0.00,  0.00)
165:     angle   (  0.030,   0.569,   0.034)  (  0.030,   0.569,   0.035)  ( 0.00,  0.03,  0.00)
165:     strbnd  ( -1.242,   0.339,   0.433)  ( -1.242,   0.339,   0.433)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.001,  -0.311,   0.262)  (  0.001,  -0.311,   0.262)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.489,  -0.521,  -0.624)  ( -0.489,  -0.521,  -0.624)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: ok 10 # gradients 
165: ok 11 # energy 
165: ----------------------------------------------------------------------------------------
165:                                                                                         
165:   VALIDATE GRADIENTS : surdox02.xyz
165:                                                                                         
165:                                                                                         
165: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
165: ----------------------------------------------------------------------------------------
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 57       ( 47.292,  52.205, -38.554)  ( 47.297,  52.209, -38.549)  ( 0.01,  0.01,  0.01)
164:     bond    ( 26.876,  35.751, -12.136)  ( 26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
164:     angle   (  0.078,  -0.014,  -0.007)  (  0.079,  -0.013,  -0.006)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( 17.157,  20.000, -12.414)  ( 17.159,  20.000, -12.413)  ( 0.01,  0.00,  0.01)
164:     torsion (  0.014,   0.019,   0.017)  (  0.014,   0.019,   0.017)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.002,   0.006,   0.005)  (  0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.164,  -3.556, -14.019)  (  3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 58       (  3.504, -53.454,  17.121)  (  3.509, -53.448,  17.126)  ( 0.15,  0.01,  0.02)
164:     bond    (-12.452, -26.537,  26.356)  (-12.448, -26.533,  26.357)  ( 0.04,  0.01,  0.01)
164:     angle   ( -9.977,   5.381,  -2.072)  ( -9.975,   5.383,  -2.071)  ( 0.02,  0.04,  0.05)
164:     strbnd  ( 29.601, -21.772,  10.437)  ( 29.601, -21.772,  10.438)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.442,  -1.853,  -6.723)  (  1.442,  -1.853,  -6.722)  ( 0.02,  0.02,  0.01)
164:     oop     (  0.004,  -0.006,  -0.012)  (  0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.113,  -8.667, -10.865)  ( -5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 59       ( 57.517, -33.972,  18.680)  ( 57.526, -33.965,  18.684)  ( 0.02,  0.02,  0.02)
164:     bond    ( 43.256,  -7.494,  14.575)  ( 43.260,  -7.491,  14.577)  ( 0.01,  0.04,  0.01)
164:     angle   ( -5.272,   6.049,  -3.749)  ( -5.270,   6.051,  -3.748)  ( 0.03,  0.03,  0.03)
164:     strbnd  ( 14.441, -25.674,  15.790)  ( 14.443, -25.673,  15.791)  ( 0.01,  0.00,  0.00)
164:     torsion ( -0.018,   1.819,   2.940)  ( -0.018,   1.820,   2.940)  ( 0.00,  0.02,  0.02)
164:     oop     ( -0.004,  -0.006,  -0.012)  ( -0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     (  5.113,  -8.667, -10.865)  (  5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 60       (-52.445, -20.208,   0.196)  (-52.439, -20.201,   0.199)  ( 0.01,  0.04,  0.06)
164:     bond    (-30.817, -15.091,  19.379)  (-30.813, -15.086,  19.380)  ( 0.01,  0.03,  0.00)
164:     angle   (  5.186,  -6.105,   3.821)  (  5.188,  -6.103,   3.822)  ( 0.04,  0.03,  0.02)
164:     strbnd  (-26.815,  14.635, -11.154)  (-26.815,  14.635, -11.154)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.000,  -1.831,  -2.952)  (  0.001,  -1.831,  -2.951)  ( 0.00,  0.01,  0.02)
164:     oop     ( -0.000,   0.005,   0.010)  (  0.000,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.000, -11.821,  -8.908)  ( -0.000, -11.821,  -8.908)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: ok 18 # gradients 
164: ok 19 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v16_c47.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v2a_13p.sdf
163:     bond    (473.237, -551.537, 337.686)  (473.318, -551.490, 337.743)  ( 0.02,  0.01,  0.02)
163:     angle   (  0.489,   0.094,   0.027)  (  0.499,   0.101,   0.035)  ( 0.50,  0.06,  0.02)
163:     torsion (  0.033,  -0.048,  -0.041)  (  0.034,  -0.046,  -0.041)  ( 0.00,  0.01,  0.00)
163:     vdw     (  2.230,  -1.064,   4.099)  (  2.230,  -1.064,   4.099)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 13       (552.444, -341.903, -476.173)  (552.499, -341.837, -476.081)  ( 0.01,  0.02,  0.02)
163:     bond    (551.443, -337.801, -473.399)  (551.490, -337.743, -473.318)  ( 0.01,  0.02,  0.02)
163:     angle   ( -0.107,  -0.043,  -0.509)  ( -0.101,  -0.035,  -0.499)  ( 0.07,  0.03,  0.52)
163:     torsion (  0.045,   0.040,  -0.034)  (  0.046,   0.041,  -0.034)  ( 0.01,  0.00,  0.00)
163:     vdw     (  1.064,  -4.099,  -2.230)  (  1.064,  -4.099,  -2.230)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 14       (-211.337, 129.863, -763.780)  (-211.256, 129.900, -763.686)  ( 0.04,  0.03,  0.01)
163:     bond    (-208.536, 131.714, -760.656)  (-208.466, 131.744, -760.571)  ( 0.03,  0.02,  0.01)
163:     angle   ( -0.222,   0.101,   0.436)  ( -0.212,   0.107,   0.445)  ( 0.22,  0.06,  0.37)
163:     torsion ( -0.044,  -0.074,   0.042)  ( -0.043,  -0.072,   0.042)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -2.535,  -1.879,  -3.603)  ( -2.535,  -1.878,  -3.603)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 15       (552.444, -341.903, 475.989)  (552.499, -341.837, 476.081)  ( 0.01,  0.02,  0.02)
163:     bond    (551.443, -337.801, 473.237)  (551.490, -337.743, 473.318)  ( 0.01,  0.02,  0.02)
163:     angle   ( -0.107,  -0.043,   0.489)  ( -0.101,  -0.035,   0.499)  ( 0.07,  0.03,  0.50)
163:     torsion (  0.045,   0.040,   0.033)  (  0.046,   0.041,   0.034)  ( 0.01,  0.00,  0.00)
163:     vdw     (  1.064,  -4.099,   2.230)  (  1.064,  -4.099,   2.230)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 16       (-682.022, 423.048,  -0.090)  (-681.921, 423.070,   0.000)  ( 0.01,  0.01,  0.82)
163:     bond    (-677.189, 423.212,  -0.078)  (-677.098, 423.228,   0.000)  ( 0.01,  0.00,  0.61)
163:     angle   ( -0.091,   0.287,  -0.011)  ( -0.082,   0.291,   0.000)  ( 0.09,  0.11,  0.01)
163:     torsion (  0.015,   0.048,  -0.001)  (  0.015,   0.050,  -0.000)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -4.757,  -0.499,  -0.000)  ( -4.757,  -0.499,  -0.000)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 17       (341.770, -476.173, -552.554)  (341.837, -476.081, -552.499)  ( 0.02,  0.02,  0.01)
163:     bond    (337.686, -473.399, -551.537)  (337.743, -473.318, -551.490)  ( 0.02,  0.02,  0.01)
163:     angle   (  0.027,  -0.509,   0.094)  (  0.035,  -0.499,   0.101)  ( 0.02,  0.52,  0.06)
163:     torsion ( -0.041,  -0.034,  -0.048)  ( -0.041,  -0.034,  -0.046)  ( 0.00,  0.00,  0.01)
163:     vdw     (  4.099,  -2.230,  -1.064)  (  4.099,  -2.230,  -1.064)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 18       (-476.173, 552.444, 341.770)  (-476.081, 552.499, 341.837)  ( 0.02,  0.01,  0.02)
163:     bond    (-473.399, 551.443, 337.686)  (-473.318, 551.490, 337.743)  ( 0.02,  0.01,  0.02)
163:     angle   ( -0.509,  -0.107,   0.027)  ( -0.499,  -0.101,   0.035)  ( 0.52,  0.07,  0.02)
163:     torsion ( -0.034,   0.045,  -0.041)  ( -0.034,   0.046,  -0.041)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -2.230,   1.064,   4.099)  ( -2.230,   1.064,   4.099)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 19       (-211.337, 129.863, 763.591)  (-211.256, 129.900, 763.686)  ( 0.04,  0.03,  0.01)
163:     bond    (-208.536, 131.714, 760.485)  (-208.466, 131.744, 760.571)  ( 0.03,  0.02,  0.01)
163:     angle   ( -0.222,   0.101,  -0.453)  ( -0.212,   0.107,  -0.445)  ( 0.22,  0.06,  0.38)
163:     torsion ( -0.044,  -0.074,  -0.043)  ( -0.043,  -0.072,  -0.042)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -2.535,  -1.879,   3.603)  ( -2.535,  -1.878,   3.603)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 20       (211.175, 129.863, -763.780)  (211.256, 129.900, -763.686)  ( 0.04,  0.03,  0.01)
163:     bond    (208.396, 131.714, -760.656)  (208.466, 131.744, -760.571)  ( 0.03,  0.02,  0.01)
163:     angle   (  0.202,   0.101,   0.436)  (  0.212,   0.107,   0.445)  ( 0.20,  0.06,  0.37)
163:     torsion (  0.042,  -0.074,   0.042)  (  0.043,  -0.072,   0.042)  ( 0.00,  0.01,  0.00)
163:     vdw     (  2.535,  -1.879,  -3.603)  (  2.535,  -1.878,  -3.603)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 21       (341.770, 475.989, -552.554)  (341.837, 476.081, -552.499)  ( 0.02,  0.02,  0.01)
163:     bond    (337.686, 473.237, -551.537)  (337.743, 473.318, -551.490)  ( 0.02,  0.02,  0.01)
163:     angle   (  0.027,   0.489,   0.094)  (  0.035,   0.499,   0.101)  ( 0.02,  0.50,  0.06)
163:     torsion ( -0.041,   0.033,  -0.048)  ( -0.041,   0.034,  -0.046)  ( 0.00,  0.00,  0.01)
163:     vdw     (  4.099,   2.230,  -1.064)  (  4.099,   2.230,  -1.064)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 22       (423.048,  -0.090, 681.819)  (423.070,  -0.000, 681.921)  ( 0.01,  0.82,  0.01)
163:     bond    (423.212,  -0.078, 677.006)  (423.228,   0.000, 677.098)  ( 0.00,  0.61,  0.01)
163:     angle   (  0.287,  -0.011,   0.072)  (  0.291,  -0.000,   0.082)  ( 0.11,  0.01,  0.07)
163:     torsion (  0.048,  -0.001,  -0.016)  (  0.050,   0.000,  -0.015)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -0.499,  -0.000,   4.757)  ( -0.499,  -0.000,   4.757)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 23       (552.444, 341.770, -476.173)  (552.499, 341.837, -476.081)  ( 0.01,  0.02,  0.02)
163:     bond    (551.443, 337.686, -473.399)  (551.490, 337.743, -473.318)  ( 0.01,  0.02,  0.02)
163:     angle   ( -0.107,   0.027,  -0.509)  ( -0.101,   0.035,  -0.499)  ( 0.07,  0.02,  0.52)
163:     torsion (  0.045,  -0.041,  -0.034)  (  0.046,  -0.041,  -0.034)  ( 0.01,  0.00,  0.00)
163:     vdw     (  1.064,   4.099,  -2.230)  (  1.064,   4.099,  -2.230)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 24       (-129.938, -763.780, 211.175)  (-129.900, -763.686, 211.256)  ( 0.03,  0.01,  0.04)
163:     bond    (-131.774, -760.656, 208.396)  (-131.744, -760.571, 208.466)  ( 0.02,  0.01,  0.03)
163:     angle   ( -0.114,   0.436,   0.202)  ( -0.107,   0.445,   0.212)  ( 0.07,  0.37,  0.20)
163:     torsion (  0.071,   0.042,   0.042)  (  0.072,   0.042,   0.043)  ( 0.01,  0.00,  0.00)
163:     vdw     (  1.878,  -3.603,   2.535)  (  1.878,  -3.603,   2.535)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 25       (-211.337, -129.938, -763.780)  (-211.256, -129.900, -763.686)  ( 0.04,  0.03,  0.01)
163:     bond    (-208.536, -131.774, -760.656)  (-208.466, -131.744, -760.571)  ( 0.03,  0.02,  0.01)
163:     angle   ( -0.222,  -0.114,   0.436)  ( -0.212,  -0.107,   0.445)  ( 0.22,  0.07,  0.37)
163:     torsion ( -0.044,   0.071,   0.042)  ( -0.043,   0.072,   0.042)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -2.535,   1.878,  -3.603)  ( -2.535,   1.878,  -3.603)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 26       (-476.173, -552.554, 341.770)  (-476.081, -552.499, 341.837)  ( 0.02,  0.01,  0.02)
163:     bond    (-473.399, -551.537, 337.686)  (-473.318, -551.490, 337.743)  ( 0.02,  0.01,  0.02)
163:     angle   ( -0.509,   0.094,   0.027)  ( -0.499,   0.101,   0.035)  ( 0.52,  0.06,  0.02)
163:     torsion ( -0.034,  -0.048,  -0.041)  ( -0.034,  -0.046,  -0.041)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -2.230,  -1.064,   4.099)  ( -2.230,  -1.064,   4.099)  ( 0.01,  0.00,  0.00)
165:  1       (  0.013,  -0.116,  -0.042)  (  0.127,  -0.099,  -0.306)  ( 0.15,  0.20,  1.11)
165:     bond    (  2.996,  -0.181,   5.906)  (  3.000,  -0.170,   5.908)  ( 0.14,  0.21,  0.03)
165:     angle   ( -0.615,   0.021,  -2.208)  ( -0.614,   0.022,  -2.207)  ( 0.09,  0.00,  0.06)
165:     strbnd  ( 31.994,  -0.001,  12.086)  ( 31.994,  -0.002,  12.085)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.329,   0.014,  -0.811)  (  0.329,   0.014,  -0.811)  ( 0.00,  0.00,  0.01)
165:     oop     ( -0.655,  -0.027,   1.614)  ( -0.546,  -0.023,   1.348)  ( 7.08,  0.01, 16.52)
165:     vdw     ( -1.367,   0.002,  -0.677)  ( -1.367,   0.002,  -0.677)  ( 0.00,  0.00,  0.00)
165:     electro (-32.669,   0.057, -15.952)  (-32.669,   0.057, -15.952)  ( 0.00,  0.00,  0.00)
165:  2       ( -0.031,  -0.005,  -0.000)  ( -0.036,   0.000,   0.210)  ( 0.02,  0.00,  0.01)
165:     bond    (-24.654,  -0.013,  -8.873)  (-24.650,  -0.006,  -8.872)  ( 0.02,  0.01,  0.01)
165:     angle   ( 26.151,  -0.059,  14.095)  ( 26.154,  -0.057,  14.095)  ( 0.01,  0.01,  0.00)
165:     strbnd  ( -2.586,   0.026,  -2.810)  ( -2.588,   0.025,  -2.810)  ( 0.08,  0.00,  0.00)
165:     torsion (  0.950,   0.026,  -1.404)  (  0.950,   0.026,  -1.404)  ( 0.01,  0.00,  0.03)
165:     oop     (  0.109,   0.015,  -1.009)  (  0.099,   0.012,  -0.800)  ( 0.10,  0.00, 20.76)
165:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:  3       (  0.030,  -0.079,  -0.004)  ( -0.460,  -0.155,   0.812)  ( 1.47,  0.60,  0.36)
165:     bond    (  3.669,  20.808,   1.591)  (  3.675,  20.815,   1.593)  ( 0.15,  0.03,  0.11)
165:     angle   (-16.152,   8.087,  -6.190)  (-16.150,   8.089,  -6.189)  ( 0.01,  0.02,  0.01)
165:     strbnd  (-15.060, -18.986,  -5.342)  (-15.060, -18.986,  -5.342)  ( 0.00,  0.00,  0.00)
165:     torsion ( -4.285,   0.335,   9.829)  ( -4.285,   0.335,   9.829)  ( 0.00,  0.00,  0.00)
165:     oop     (  3.601,   1.017,  -6.100)  (  3.104,   0.933,  -5.286)  (13.80,  8.25, 13.34)
165:     vdw     (  4.304,  -0.146,   0.652)  (  4.304,  -0.146,   0.652)  ( 0.00,  0.00,  0.00)
165:     electro ( 23.952, -11.196,   5.555)  ( 23.952, -11.196,   5.555)  ( 0.00,  0.00,  0.00)
165:  4       (  0.007,   0.012,  -0.004)  (  0.009,   0.018,  -0.003)  ( 0.00,  0.01,  0.00)
165:     bond    (  1.917,   4.448,  -1.522)  (  1.918,   4.454,  -1.521)  ( 0.06,  0.13,  0.05)
165:     angle   (  0.657,  -0.203,   0.234)  (  0.657,  -0.203,   0.234)  ( 0.04,  0.00,  0.01)
165:     strbnd  (  0.365,   0.126,   0.367)  (  0.365,   0.126,   0.367)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -4.311,  -0.150,  -0.658)  ( -4.311,  -0.150,  -0.658)  ( 0.00,  0.00,  0.00)
165:     electro (  1.379,  -4.208,   1.576)  (  1.379,  -4.208,   1.576)  ( 0.00,  0.00,  0.00)
165:  5       (  0.011,   0.000,   0.007)  (  0.314,   0.017,  -0.395)  ( 0.34,  0.00,  0.28)
165:     bond    (  2.147,   0.095,   1.594)  (  2.150,   0.095,   1.596)  ( 0.15,  0.00,  0.11)
165:     angle   (  0.148,  -1.267,  -0.124)  (  0.148,  -1.266,  -0.124)  ( 0.00,  0.05,  0.00)
165:     strbnd  (  0.091,   0.467,  -0.005)  (  0.091,   0.467,  -0.005)  ( 0.00,  0.00,  0.00)
165:     torsion (  2.685,  -0.730,  -3.574)  (  2.685,  -0.730,  -3.574)  ( 0.00,  0.00,  0.00)
165:     oop     ( -2.057,  -0.336,   2.792)  ( -1.758,  -0.320,   2.387)  (14.55,  0.54, 14.48)
165:     vdw     ( -0.057,   0.074,  -0.025)  ( -0.057,   0.074,  -0.025)  ( 0.00,  0.00,  0.00)
165:     electro ( -2.946,   1.696,  -0.650)  ( -2.946,   1.696,  -0.650)  ( 0.00,  0.00,  0.00)
165:  6       ( -0.032,   0.038,  -0.003)  (  0.117,   0.131,  -0.383)  ( 0.49,  0.35,  0.12)
165:     bond    (  2.991,  -4.569,   0.099)  (  2.993,  -4.566,   0.099)  ( 0.05,  0.07,  0.00)
165:     angle   (  2.530,   1.664,   0.255)  (  2.530,   1.664,   0.256)  ( 0.02,  0.01,  0.00)
165:     strbnd  ( -0.003,   0.684,   0.085)  ( -0.003,   0.684,   0.085)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.960,   0.517,  -5.145)  (  0.960,   0.517,  -5.145)  ( 0.00,  0.00,  0.00)
165:     oop     ( -1.271,  -0.767,   3.004)  ( -1.123,  -0.679,   2.624)  (11.64,  6.80, 12.66)
165:     vdw     (  0.745,   0.835,   0.378)  (  0.745,   0.835,   0.378)  ( 0.00,  0.00,  0.00)
165:     electro ( -5.985,   1.676,   1.320)  ( -5.985,   1.676,   1.320)  ( 0.00,  0.00,  0.00)
165:  7       ( -0.036,   0.074,   0.033)  ( -0.035,   0.080,   0.034)  ( 0.01,  0.04,  0.00)
165:     bond    (  1.920,  -4.294,  -1.614)  (  1.922,  -4.288,  -1.613)  ( 0.06,  0.13,  0.05)
165:     angle   (  0.658,   0.204,   0.241)  (  0.659,   0.204,   0.242)  ( 0.04,  0.00,  0.01)
165:     strbnd  (  0.365,  -0.134,   0.362)  (  0.365,  -0.134,   0.361)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -4.313,   0.123,  -0.654)  ( -4.313,   0.123,  -0.654)  ( 0.00,  0.00,  0.00)
165:     electro (  1.333,   4.175,   1.698)  (  1.333,   4.175,   1.698)  ( 0.00,  0.00,  0.00)
165:  8       ( -0.030,   0.041,  -0.031)  ( -0.521,   0.105,   0.787)  ( 1.48,  0.26,  2.57)
165:     bond    (  3.840, -20.844,   0.957)  (  3.846, -20.837,   0.959)  ( 0.14,  0.03,  0.17)
165:     angle   (-16.070,  -8.077,  -6.428)  (-16.068,  -8.075,  -6.428)  ( 0.01,  0.02,  0.01)
165:     strbnd  (-15.264,  18.971,  -4.788)  (-15.265,  18.971,  -4.788)  ( 0.00,  0.00,  0.00)
165:     torsion ( -4.280,  -0.668,   9.814)  ( -4.280,  -0.668,   9.814)  ( 0.00,  0.00,  0.00)
165:     oop     (  3.611,  -0.800,  -6.126)  (  3.114,  -0.745,  -5.311)  (13.78,  4.38, 13.32)
165:     vdw     (  4.302,   0.173,   0.657)  (  4.302,   0.173,   0.657)  ( 0.00,  0.00,  0.00)
165:     electro ( 23.831,  11.286,   5.883)  ( 23.831,  11.286,   5.883)  ( 0.00,  0.00,  0.00)
165:  9       (  0.044,  -0.007,   0.032)  (  0.346,  -0.007,  -0.371)  ( 1.32,  0.00,  1.28)
165:     bond    (  2.181,  -0.120,   1.616)  (  2.185,  -0.120,   1.617)  ( 0.14,  0.00,  0.11)
165:     angle   (  0.134,   1.267,  -0.087)  (  0.134,   1.267,  -0.087)  ( 0.00,  0.05,  0.00)
165:     strbnd  (  0.096,  -0.466,  -0.019)  (  0.096,  -0.466,  -0.019)  ( 0.00,  0.00,  0.00)
165:     torsion (  2.677,   0.863,  -3.551)  (  2.677,   0.863,  -3.551)  ( 0.00,  0.00,  0.00)
165:     oop     ( -2.060,   0.232,   2.800)  ( -1.761,   0.231,   2.396)  (14.53,  0.03, 14.45)
165:     vdw     ( -0.056,  -0.074,  -0.027)  ( -0.056,  -0.074,  -0.027)  ( 0.00,  0.00,  0.00)
165:     electro ( -2.928,  -1.708,  -0.700)  ( -2.928,  -1.708,  -0.700)  ( 0.00,  0.00,  0.00)
165: 10       ( -0.012,  -0.017,  -0.002)  (  0.139,  -0.089,  -0.384)  ( 0.17,  0.12,  0.07)
165:     bond    (  2.961,   4.619,   0.235)  (  2.962,   4.623,   0.235)  ( 0.05,  0.07,  0.00)
165:     angle   (  2.550,  -1.645,   0.209)  (  2.551,  -1.645,   0.209)  ( 0.02,  0.01,  0.00)
165:     strbnd  (  0.004,  -0.685,   0.065)  (  0.004,  -0.685,   0.065)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.965,  -0.356,  -5.158)  (  0.965,  -0.356,  -5.158)  ( 0.00,  0.00,  0.00)
165:     oop     ( -1.278,   0.666,   3.025)  ( -1.130,   0.590,   2.642)  (11.64,  5.06, 12.65)
165:     vdw     (  0.753,  -0.837,   0.354)  (  0.753,  -0.837,   0.354)  ( 0.00,  0.00,  0.00)
165:     electro ( -5.967,  -1.778,   1.269)  ( -5.967,  -1.778,   1.269)  ( 0.00,  0.00,  0.00)
165: ok 12 # gradients 
165: ok 13 # energy 
165: ----------------------------------------------------------------------------------------
165:                                                                                         
165:   VALIDATE GRADIENTS : valwou.xyz
165:                                                                                         
165:                                                                                         
165: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
165: ----------------------------------------------------------------------------------------
162:     electro (  0.217,   0.873,  -1.452)  (  0.217,   0.873,  -1.452)  ( 0.00,  0.00,  0.00)
162: ok 24 # gradients 
162: ok 25 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       ( 15.644, 125.382,   8.490)  ( 15.677, 125.410,   8.493)  ( 0.22,  0.02,  0.04)
162:     bond    ( 17.373,  73.022,   6.267)  ( 17.401,  73.042,   6.267)  ( 0.16,  0.03,  0.01)
162:     angle   ( -2.709,  52.504,   2.697)  ( -2.703,  52.513,   2.697)  ( 0.24,  0.02,  0.00)
162:     torsion (  0.078,   0.026,  -0.588)  (  0.078,   0.026,  -0.585)  ( 0.00,  0.00,  0.19)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.913,  -0.143,   0.026)  (  0.913,  -0.143,   0.026)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.012,  -0.028,   0.089)  ( -0.012,  -0.028,   0.089)  ( 0.00,  0.00,  0.00)
162:  2       (  3.413,   2.349,   0.643)  (  3.448,   2.385,   0.649)  ( 1.02,  1.53,  0.40)
162:     bond    (-27.832, -25.792,  -4.889)  (-27.806, -25.765,  -4.889)  ( 0.09,  0.10,  0.01)
162:     angle   ( 31.946,  28.998,   6.175)  ( 31.954,  29.007,   6.174)  ( 0.03,  0.03,  0.00)
162:     torsion (  0.090,   0.043,  -0.861)  (  0.090,   0.043,  -0.855)  ( 0.00,  0.00,  0.50)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.935,  -0.767,  -0.059)  ( -0.935,  -0.767,  -0.059)  ( 0.01,  0.00,  0.00)
162:     electro (  0.144,  -0.132,   0.277)  (  0.144,  -0.132,   0.277)  ( 0.00,  0.00,  0.00)
162:  3       (-60.076, -124.122, -11.442)  (-60.041, -124.085, -11.437)  ( 0.06,  0.03,  0.05)
162:     bond    ( -2.236, -32.032,  -2.221)  ( -2.211, -32.005,  -2.221)  ( 1.13,  0.08,  0.03)
162:     angle   (-35.495, -109.358, -13.161)  (-35.486, -109.349, -13.161)  ( 0.03,  0.01,  0.00)
162:     torsion ( -0.728,  -0.150,   6.625)  ( -0.728,  -0.150,   6.629)  ( 0.01,  0.00,  0.07)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-21.763,  17.707,  -2.867)  (-21.763,  17.708,  -2.867)  ( 0.00,  0.00,  0.00)
162:     electro (  0.146,  -0.289,   0.182)  (  0.146,  -0.289,   0.182)  ( 0.00,  0.00,  0.00)
162:  4       ( 69.645,  38.599,  20.809)  ( 69.675,  38.633,  20.812)  ( 0.04,  0.09,  0.02)
162:     bond    ( 80.610,  67.321,  13.988)  ( 80.629,  67.349,  13.988)  ( 0.02,  0.04,  0.00)
162:     angle   ( 13.985, -19.121,  10.319)  ( 13.995, -19.114,  10.320)  ( 0.07,  0.04,  0.01)
162:     torsion ( -0.030,  -0.023,  -5.570)  ( -0.030,  -0.023,  -5.568)  ( 0.00,  0.00,  0.04)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-24.861,  -9.584,   2.033)  (-24.861,  -9.584,   2.033)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.058,   0.005,   0.038)  ( -0.058,   0.005,   0.038)  ( 0.00,  0.00,  0.00)
162:  5       (-65.626,  46.637,  -7.647)  (-65.598,  46.667,  -7.621)  ( 0.04,  0.06,  0.35)
162:     bond    ( 38.092, -28.282,  -8.383)  ( 38.111, -28.263,  -8.364)  ( 0.05,  0.07,  0.22)
162:     angle   (-83.340,  67.151,  -0.747)  (-83.331,  67.161,  -0.740)  ( 0.01,  0.02,  0.49)
162:     torsion ( -0.408,   0.323,  -5.983)  ( -0.408,   0.323,  -5.982)  ( 0.01,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-20.691,   6.854,   8.178)  (-20.690,   6.854,   8.178)  ( 0.00,  0.01,  0.00)
162:     electro (  0.721,   0.593,  -0.712)  (  0.721,   0.593,  -0.712)  ( 0.00,  0.00,  0.00)
162:  6       (-84.995, -79.051, -15.103)  (-84.981, -79.036, -15.103)  ( 0.02,  0.02,  0.00)
162:     bond    (-74.810, -76.213, -12.570)  (-74.799, -76.202, -12.571)  ( 0.02,  0.01,  0.00)
162:     angle   ( -9.506,  -4.523,  -1.871)  ( -9.504,  -4.519,  -1.871)  ( 0.02,  0.07,  0.00)
162:     torsion (  0.115,   0.059,  -0.989)  (  0.115,   0.059,  -0.989)  ( 0.00,  0.00,  0.05)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.736,   1.636,  -0.101)  ( -0.735,   1.636,  -0.101)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.058,  -0.011,   0.428)  ( -0.058,  -0.011,   0.428)  ( 0.00,  0.00,  0.00)
162:  7       ( 40.249,  17.933,  48.945)  ( 40.274,  17.958,  48.958)  ( 0.06,  0.14,  0.03)
162:     bond    ( 40.914,  20.980,  56.184)  ( 40.932,  20.998,  56.189)  ( 0.04,  0.09,  0.01)
162:     angle   (-15.006,  10.514, -13.322)  (-14.999,  10.520, -13.316)  ( 0.04,  0.06,  0.05)
162:     torsion (  2.866,  -3.976,  -5.494)  (  2.866,  -3.976,  -5.493)  ( 0.01,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 16.577,  -2.819,  10.063)  ( 16.578,  -2.819,  10.063)  ( 0.00,  0.01,  0.00)
162:     electro ( -5.103,  -6.765,   1.515)  ( -5.103,  -6.765,   1.515)  ( 0.00,  0.00,  0.00)
162:  8       ( 12.564,  -6.466,   0.379)  ( 12.567,  -6.454,   0.384)  ( 0.02,  0.18,  0.18)
162:     bond    ( -0.079,  -3.442,   1.689)  ( -0.079,  -3.431,   1.692)  ( 0.00,  0.33,  0.16)
162:     angle   ( 28.794,  -4.274,  -7.318)  ( 28.796,  -4.274,  -7.316)  ( 0.01,  0.01,  0.03)
162:     torsion (  0.796,   0.380,   0.808)  (  0.796,   0.380,   0.808)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-17.254,   0.282,   7.059)  (-17.253,   0.282,   7.059)  ( 0.00,  0.00,  0.00)
162:     electro (  0.307,   0.588,  -1.858)  (  0.307,   0.588,  -1.858)  ( 0.00,  0.00,  0.00)
162:  9       ( 11.619,  -5.680, -13.501)  ( 11.622,  -5.677, -13.487)  ( 0.03,  0.05,  0.10)
162:     bond    ( -2.283,  -2.038, -14.456)  ( -2.282,  -2.038, -14.442)  ( 0.02,  0.02,  0.09)
162:     angle   ( 19.832,  -7.343,  -2.099)  ( 19.834,  -7.341,  -2.099)  ( 0.01,  0.03,  0.00)
162:     torsion ( -0.663,  -0.886,   0.230)  ( -0.663,  -0.885,   0.230)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.080,   3.773,   2.609)  ( -4.080,   3.773,   2.609)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.186,   0.814,   0.214)  ( -1.186,   0.814,   0.214)  ( 0.00,  0.00,  0.00)
162: 10       ( 23.620, -63.059,  12.308)  ( 23.648, -63.031,  12.335)  ( 0.12,  0.04,  0.22)
162:     bond    (-19.896,  28.244, -15.298)  (-19.878,  28.263, -15.280)  ( 0.09,  0.07,  0.12)
162:     angle   ( 31.272, -66.499,  22.060)  ( 31.282, -66.490,  22.068)  ( 0.03,  0.01,  0.03)
162:     torsion (  1.847,  -0.313,   1.869)  (  1.847,  -0.313,   1.869)  ( 0.02,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 10.372, -24.536,   3.728)  ( 10.372, -24.536,   3.728)  ( 0.01,  0.00,  0.00)
162:     electro (  0.025,   0.045,  -0.052)  (  0.025,   0.045,  -0.052)  ( 0.00,  0.00,  0.00)
162: 11       ( 41.115,  31.887,  -3.911)  ( 41.142,  31.915,  -3.885)  ( 0.07,  0.09,  0.66)
162:     bond    ( 43.968, -11.102,   3.079)  ( 43.986, -11.083,   3.097)  ( 0.04,  0.17,  0.60)
162:     angle   ( -1.014,  54.715, -13.618)  ( -1.005,  54.724, -13.611)  ( 0.92,  0.02,  0.05)
162:     torsion ( -1.031,  -0.193,   8.022)  ( -1.031,  -0.193,   8.023)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.822, -11.659,  -1.434)  ( -0.822, -11.658,  -1.434)  ( 0.00,  0.00,  0.00)
162:     electro (  0.014,   0.126,   0.040)  (  0.014,   0.126,   0.040)  ( 0.00,  0.00,  0.00)
162: 12       (  3.568,  15.659,  -4.221)  (  3.576,  15.666,  -4.218)  ( 0.25,  0.05,  0.08)
162:     bond    ( -4.418,   3.835,   1.873)  ( -4.410,   3.841,   1.875)  ( 0.16,  0.14,  0.07)
162:     angle   ( 15.924,  23.570, -10.828)  ( 15.925,  23.571, -10.826)  ( 0.01,  0.01,  0.02)
162:     torsion ( -1.226,  -2.564,   2.369)  ( -1.226,  -2.564,   2.369)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.828,  -8.424,   2.591)  ( -6.828,  -8.423,   2.591)  ( 0.00,  0.00,  0.00)
162:     electro (  0.116,  -0.758,  -0.227)  (  0.116,  -0.758,  -0.227)  ( 0.00,  0.00,  0.00)
162: 13       ( -7.792,   7.327, -12.878)  ( -7.790,   7.330, -12.864)  ( 0.03,  0.04,  0.11)
162:     bond    ( -1.370,  -1.218, -16.275)  ( -1.370,  -1.218, -16.261)  ( 0.01,  0.01,  0.09)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v2q_nvg.sdf
165:  1       ( -0.011,   0.008,  -0.002)  ( -0.007,   0.009,   0.001)  ( 0.00,  0.00,  0.00)
165:     bond    (-15.066,   0.590,  13.579)  (-15.064,   0.590,  13.581)  ( 0.02,  0.02,  0.01)
165:     angle   (  8.215,  21.265,  -1.187)  (  8.215,  21.265,  -1.186)  ( 0.01,  0.00,  0.09)
165:     strbnd  ( 13.283,   1.537, -11.705)  ( 13.283,   1.537, -11.705)  ( 0.00,  0.01,  0.00)
165:     torsion (  0.469,  -0.818,  -0.491)  (  0.469,  -0.818,  -0.491)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (-16.349, -14.076,  -9.889)  (-16.349, -14.076,  -9.889)  ( 0.00,  0.00,  0.00)
165:     electro (  9.439,  -8.489,   9.691)  (  9.439,  -8.489,   9.691)  ( 0.00,  0.00,  0.00)
165:  2       (  0.049,  -0.041,  -0.050)  (  0.056,  -0.038,  -0.044)  ( 0.03,  0.01,  0.03)
165:     bond    ( -1.989,  -5.973,   5.396)  ( -1.982,  -5.971,   5.401)  ( 0.31,  0.05,  0.09)
165:     angle   ( 12.171,  18.575,  -1.290)  ( 12.172,  18.576,  -1.289)  ( 0.01,  0.01,  0.12)
165:     strbnd  ( -6.382, -16.381,   1.658)  ( -6.383, -16.382,   1.658)  ( 0.01,  0.00,  0.03)
165:     torsion (  1.307,  -0.613,  -0.923)  (  1.307,  -0.613,  -0.923)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -4.101,   3.444,  -3.337)  ( -4.101,   3.444,  -3.336)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.957,   0.907,  -1.554)  ( -0.957,   0.907,  -1.554)  ( 0.00,  0.00,  0.00)
165:  3       ( -0.003,   0.017,   0.026)  ( -0.002,   0.019,   0.030)  ( 0.00,  0.00,  0.01)
165:     bond    (  0.886,  -2.327,  -4.505)  (  0.886,  -2.325,  -4.501)  ( 0.02,  0.05,  0.10)
165:     angle   ( -9.163,  -7.934,   2.295)  ( -9.162,  -7.934,   2.295)  ( 0.01,  0.00,  0.00)
165:     strbnd  (  0.035,  -1.201,  -0.650)  (  0.035,  -1.201,  -0.650)  ( 0.00,  0.01,  0.01)
165:     torsion ( -1.075,   0.327,  -0.381)  ( -1.075,   0.327,  -0.381)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -2.954,   9.054,  -3.466)  ( -2.954,   9.054,  -3.466)  ( 0.00,  0.00,  0.00)
165:     electro ( 12.267,   2.097,   6.733)  ( 12.267,   2.097,   6.733)  ( 0.00,  0.00,  0.00)
165:  4       ( -0.066,   0.014,   0.013)  ( -0.060,   0.015,   0.014)  ( 0.04,  0.00,  0.00)
165:     bond    ( -1.807,   0.231,   0.350)  ( -1.802,   0.231,   0.350)  ( 0.32,  0.00,  0.01)
165:     angle   ( -2.264, -11.394,  -4.125)  ( -2.264, -11.394,  -4.124)  ( 0.00,  0.01,  0.01)
165:     strbnd  ( -1.121,  -0.534,   0.432)  ( -1.121,  -0.534,   0.432)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.219,   0.087,   1.070)  (  0.219,   0.087,   1.070)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -5.300,   9.953, -11.232)  ( -5.300,   9.953, -11.232)  ( 0.00,  0.00,  0.00)
165:     electro ( 10.207,   1.672,  13.519)  ( 10.207,   1.672,  13.519)  ( 0.00,  0.00,  0.00)
165:  5       (  0.024,  -0.012,   0.001)  (  0.031,  -0.008,   0.006)  ( 0.02,  0.00,  0.00)
165:     bond    ( -2.431,  13.799,  -9.128)  ( -2.426,  13.802,  -9.124)  ( 0.21,  0.02,  0.05)
165:     angle   (-13.514, -12.442,   3.433)  (-13.512, -12.439,   3.435)  ( 0.02,  0.02,  0.07)
165:     strbnd  ( 10.215,   7.073,   7.282)  ( 10.214,   7.072,   7.280)  ( 0.01,  0.02,  0.02)
165:     torsion ( -0.178,  -0.134,  -0.164)  ( -0.178,  -0.134,  -0.164)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -3.406,   1.106,   0.053)  ( -3.406,   1.106,   0.053)  ( 0.00,  0.00,  0.00)
165:     electro (  9.338,  -9.414,  -1.474)  (  9.338,  -9.414,  -1.474)  ( 0.00,  0.00,  0.00)
165:  6       ( -0.012,   0.002,   0.003)  ( -0.008,   0.003,   0.004)  ( 0.01,  0.00,  0.00)
165:     bond    (  1.492,  -0.032,   0.115)  (  1.496,  -0.032,   0.116)  ( 0.29,  0.00,  0.00)
165:     angle   (  0.143,   3.198,  -0.968)  (  0.143,   3.199,  -0.968)  ( 0.00,  0.02,  0.08)
165:     strbnd  (  0.299,   1.855,  -1.309)  (  0.299,   1.855,  -1.309)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.068,   0.501,   1.024)  ( -0.068,   0.501,   1.024)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.080,  -0.124,  -0.022)  (  0.080,  -0.124,  -0.022)  ( 0.00,  0.00,  0.00)
165:     electro ( -1.958,  -5.395,   1.163)  ( -1.958,  -5.395,   1.163)  ( 0.00,  0.00,  0.00)
165:  7       ( -0.003,   0.001,  -0.011)  ( -0.002,   0.003,  -0.008)  ( 0.00,  0.00,  0.00)
165:     bond    (  1.037,  -1.995,  -2.372)  (  1.037,  -1.994,  -2.370)  ( 0.04,  0.08,  0.10)
165:     angle   (  7.753,   4.193,  -0.134)  (  7.753,   4.193,  -0.134)  ( 0.01,  0.01,  0.00)
165:     strbnd  ( -1.461,   4.844,   2.139)  ( -1.461,   4.844,   2.139)  ( 0.01,  0.00,  0.00)
165:     torsion ( -0.878,  -0.004,  -0.381)  ( -0.878,  -0.004,  -0.381)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -4.671,  -0.499,  -3.122)  ( -4.671,  -0.499,  -3.122)  ( 0.00,  0.00,  0.00)
165:     electro ( -1.784,  -6.538,   3.859)  ( -1.784,  -6.538,   3.859)  ( 0.00,  0.00,  0.00)
165:  8       ( -0.032,  -0.009,  -0.062)  ( -0.026,  -0.003,  -0.056)  ( 0.02,  0.01,  0.04)
165:     bond    ( 28.388,  -6.583,  25.817)  ( 28.392,  -6.579,  25.822)  ( 0.01,  0.07,  0.02)
165:     angle   ( 20.852, -42.145,   9.628)  ( 20.855, -42.143,   9.631)  ( 0.01,  0.01,  0.03)
165:     strbnd  (-22.777,  13.988,  -5.015)  (-22.779,  13.987,  -5.016)  ( 0.01,  0.01,  0.03)
165:     torsion (  0.321,   0.437,   0.397)  (  0.321,   0.437,   0.397)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -4.001,  -4.773,  -0.834)  ( -4.001,  -4.773,  -0.833)  ( 0.00,  0.00,  0.01)
165:     electro (-22.814,  39.068, -30.055)  (-22.814,  39.068, -30.055)  ( 0.00,  0.00,  0.00)
165:  9       ( -0.012,  -0.016,   0.015)  ( -0.010,  -0.015,   0.019)  ( 0.00,  0.00,  0.01)
165:     bond    (  4.898,   2.108, -13.219)  (  4.899,   2.108, -13.215)  ( 0.01,  0.00,  0.03)
165:     angle   (-15.468,  14.840,  -3.366)  (-15.467,  14.841,  -3.366)  ( 0.00,  0.01,  0.00)
165:     strbnd  (  2.100,  -0.558,   3.958)  (  2.100,  -0.557,   3.957)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.237,   0.413,  -0.022)  ( -0.237,   0.413,  -0.022)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  2.287,  -9.907,  -2.057)  (  2.287,  -9.907,  -2.057)  ( 0.01,  0.00,  0.00)
165:     electro (  6.408,  -6.914,  14.722)  (  6.408,  -6.914,  14.722)  ( 0.00,  0.00,  0.00)
165: 10       (  0.005,   0.002,  -0.008)  (  0.006,   0.006,  -0.007)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.622,   8.610,  -1.046)  ( -0.621,   8.614,  -1.046)  ( 0.00,  0.05,  0.01)
165:     angle   ( -2.836,  -0.584,  -3.128)  ( -2.836,  -0.584,  -3.128)  ( 0.03,  0.00,  0.03)
165:     strbnd  (  3.566,  -9.587,   2.403)  (  3.565,  -9.587,   2.403)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.022,  -0.015,  -0.134)  (  0.022,  -0.015,  -0.134)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -6.627,  -4.176,  -5.962)  ( -6.626,  -4.176,  -5.962)  ( 0.00,  0.00,  0.00)
165:     electro (  6.502,   5.754,   7.859)  (  6.502,   5.754,   7.859)  ( 0.00,  0.00,  0.00)
165: 11       (  0.002,   0.013,   0.066)  (  0.007,   0.019,   0.072)  ( 0.00,  0.01,  0.04)
165:     bond    (  1.773,   2.387,  -5.000)  (  1.776,   2.390,  -4.997)  ( 0.16,  0.12,  0.06)
165:     angle   (  0.727,  15.938,  -2.297)  (  0.730,  15.941,  -2.294)  ( 0.20,  0.02,  0.12)
165:     strbnd  (  3.999,   0.582,   7.350)  (  3.998,   0.581,   7.349)  ( 0.02,  0.04,  0.01)
165:     torsion (  0.269,  -0.168,  -0.155)  (  0.269,  -0.168,  -0.155)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (-12.090,  -5.836, -10.984)  (-12.090,  -5.836, -10.983)  ( 0.00,  0.00,  0.00)
165:     electro (  5.324, -12.890,  11.152)  (  5.324, -12.890,  11.152)  ( 0.00,  0.00,  0.00)
165: 12       (  0.053,   0.047,   0.012)  (  0.059,   0.054,   0.016)  ( 0.03,  0.03,  0.00)
162:     angle   ( -7.318,  10.209,  -0.149)  ( -7.316,  10.212,  -0.149)  ( 0.03,  0.02,  0.00)
162:     torsion ( -1.000,   4.473,  -0.251)  ( -1.000,   4.473,  -0.251)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.157,  -5.003,   3.406)  (  2.157,  -5.003,   3.406)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.261,  -1.134,   0.390)  ( -0.261,  -1.134,   0.390)  ( 0.00,  0.00,  0.00)
162: 14       (  1.114,   2.225,  12.550)  (  1.117,   2.229,  12.563)  ( 0.24,  0.19,  0.10)
162:     bond    ( -0.918,   5.582,  12.387)  ( -0.918,   5.584,  12.399)  ( 0.01,  0.04,  0.09)
162:     angle   (  4.322,  -6.752,   3.360)  (  4.325,  -6.750,   3.361)  ( 0.06,  0.03,  0.01)
162:     torsion ( -1.605,   4.216,  -2.018)  ( -1.605,   4.216,  -2.018)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.450,  -1.094,  -1.045)  ( -0.449,  -1.094,  -1.045)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.235,   0.273,  -0.135)  ( -0.235,   0.273,  -0.135)  ( 0.00,  0.00,  0.00)
162: 15       (  0.602,   4.550, -10.731)  (  0.605,   4.559, -10.723)  ( 0.18,  0.19,  0.07)
162:     bond    (  2.067,   8.217,  -7.378)  (  2.068,   8.225,  -7.372)  ( 0.03,  0.09,  0.08)
162:     angle   ( -3.740,   0.483,  -0.510)  ( -3.737,   0.484,  -0.509)  ( 0.06,  0.05,  0.06)
162:     torsion (  2.245,  -3.016,  -2.735)  (  2.245,  -3.016,  -2.735)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.402,  -1.119,   0.139)  (  0.402,  -1.119,   0.139)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.373,  -0.015,  -0.247)  ( -0.373,  -0.015,  -0.247)  ( 0.00,  0.00,  0.00)
162: 16       (-12.334, -24.086,  -1.982)  (-12.320, -24.082,  -1.981)  ( 0.11,  0.02,  0.05)
162:     bond    ( -5.657,   1.477,  -0.634)  ( -5.643,   1.478,  -0.634)  ( 0.24,  0.06,  0.01)
162:     angle   ( -6.330, -25.114,  -2.201)  ( -6.330, -25.111,  -2.201)  ( 0.00,  0.01,  0.00)
162:     torsion ( -0.132,  -0.056,   1.045)  ( -0.132,  -0.056,   1.045)  ( 0.00,  0.00,  0.09)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.071,  -0.141,  -0.005)  (  0.072,  -0.141,  -0.005)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.286,  -0.251,  -0.186)  ( -0.286,  -0.251,  -0.186)  ( 0.00,  0.00,  0.00)
162: 17       ( 17.663,   7.046,   3.608)  ( 17.667,   7.061,   3.610)  ( 0.02,  0.21,  0.04)
162:     bond    ( -0.471,   5.579,   0.247)  ( -0.471,   5.593,   0.247)  ( 0.00,  0.26,  0.00)
162:     angle   ( 18.656,   1.475,   2.171)  ( 18.659,   1.475,   2.171)  ( 0.02,  0.00,  0.00)
162:     torsion ( -0.179,  -0.085,   1.574)  ( -0.178,  -0.085,   1.575)  ( 0.00,  0.00,  0.10)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.455,   0.245,  -0.061)  ( -0.455,   0.245,  -0.061)  ( 0.00,  0.00,  0.00)
162:     electro (  0.112,  -0.167,  -0.323)  (  0.112,  -0.167,  -0.323)  ( 0.00,  0.00,  0.00)
162: 18       (-13.242,  87.357, -29.874)  (-13.213,  87.386, -29.846)  ( 0.22,  0.03,  0.09)
162:     bond    (-34.100,  60.048, -72.323)  (-34.081,  60.067, -72.305)  ( 0.06,  0.03,  0.03)
162:     angle   ( 20.407,  22.661,  45.180)  ( 20.415,  22.670,  45.189)  ( 0.04,  0.04,  0.02)
162:     torsion ( -1.100,  -1.323,   1.620)  ( -1.100,  -1.322,   1.620)  ( 0.03,  0.05,  0.02)
162:     oop     (  0.091,   0.116,   0.000)  (  0.091,   0.116,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.333,   7.454,  -6.595)  ( -0.332,   7.454,  -6.594)  ( 0.01,  0.00,  0.00)
162:     electro (  1.794,  -1.599,   2.243)  (  1.794,  -1.599,   2.243)  ( 0.00,  0.00,  0.00)
162: 19       ( 29.669, -31.984, -46.828)  ( 29.694, -31.966, -46.791)  ( 0.09,  0.06,  0.08)
162:     bond    ( 26.636, -22.059, -27.238)  ( 26.652, -22.049, -27.209)  ( 0.06,  0.05,  0.11)
162:     angle   (  5.202, -28.237, -23.056)  (  5.209, -28.232, -23.047)  ( 0.13,  0.02,  0.04)
162:     torsion ( -1.939,  -2.164,  -0.218)  ( -1.937,  -2.161,  -0.218)  ( 0.09,  0.13,  0.00)
162:     oop     ( -0.059,  -0.068,   0.005)  ( -0.058,  -0.068,   0.005)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.171,  20.586,   3.668)  ( -0.170,  20.586,   3.668)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.001,  -0.042,   0.010)  ( -0.001,  -0.042,   0.010)  ( 0.00,  0.00,  0.00)
162: 20       ( -0.167, -60.187,   5.067)  ( -0.150, -60.151,   5.095)  ( 0.28,  0.06,  0.56)
162:     bond    (-13.335, -59.208,  11.009)  (-13.323, -59.181,  11.030)  ( 0.09,  0.05,  0.19)
162:     angle   (-17.127,  -8.764, -10.876)  (-17.123,  -8.755, -10.870)  ( 0.02,  0.10,  0.06)
162:     torsion (  0.375,  -0.371,  -0.858)  (  0.375,  -0.371,  -0.858)  ( 0.02,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 22.586,   9.292,   2.173)  ( 22.587,   9.293,   2.173)  ( 0.00,  0.00,  0.01)
162:     electro (  7.334,  -1.138,   3.619)  (  7.334,  -1.138,   3.619)  ( 0.00,  0.00,  0.00)
162: 21       (  4.402,  -4.198, -11.567)  (  4.405,  -4.195, -11.553)  ( 0.07,  0.07,  0.12)
162:     bond    ( -0.975,  -1.277,  -9.190)  ( -0.975,  -1.276,  -9.176)  ( 0.02,  0.02,  0.15)
162:     angle   ( 11.082, -14.956,   0.902)  ( 11.085, -14.954,   0.903)  ( 0.02,  0.02,  0.01)
162:     torsion ( -0.864,  -1.105,   0.245)  ( -0.864,  -1.104,   0.245)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -7.242,  11.589,  -2.591)  ( -7.242,  11.589,  -2.591)  ( 0.01,  0.00,  0.00)
162:     electro (  2.400,   1.551,  -0.934)  (  2.400,   1.551,  -0.934)  ( 0.00,  0.00,  0.00)
162: 22       ( -5.881,   3.913,  18.792)  ( -5.855,   3.931,  18.829)  ( 0.44,  0.45,  0.20)
162:     bond    ( 14.134,  -9.305,  74.126)  ( 14.151,  -9.296,  74.154)  ( 0.12,  0.11,  0.04)
162:     angle   (-12.973,   9.627, -31.669)  (-12.967,   9.631, -31.661)  ( 0.05,  0.04,  0.03)
162:     torsion (  1.582,   1.882,   0.008)  (  1.584,   1.886,   0.008)  ( 0.12,  0.20,  0.00)
162:     oop     (  0.113,   0.142,   0.000)  (  0.113,   0.142,   0.000)  ( 0.00,  0.01,  0.00)
162:     vdw     (-10.457,   3.861, -23.405)  (-10.457,   3.861, -23.404)  ( 0.00,  0.01,  0.00)
162:     electro (  1.720,  -2.294,  -0.268)  (  1.720,  -2.294,  -0.268)  ( 0.00,  0.00,  0.00)
162: 23       (-13.869,   8.487,  10.338)  (-13.842,   8.506,  10.373)  ( 0.19,  0.21,  0.34)
162:     bond    (-21.743,  16.102,  21.542)  (-21.724,  16.113,  21.567)  ( 0.09,  0.07,  0.11)
162:     angle   (  6.141,  -4.220,  14.969)  (  6.146,  -4.217,  14.978)  ( 0.08,  0.07,  0.06)
162:     torsion ( -0.978,  -1.333,   0.050)  ( -0.976,  -1.329,   0.050)  ( 0.20,  0.28,  0.00)
162:     oop     ( -0.037,  -0.048,  -0.000)  ( -0.037,  -0.048,  -0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.075,  -1.504, -26.495)  (  2.075,  -1.504, -26.494)  ( 0.00,  0.00,  0.00)
162:     electro (  0.673,  -0.510,   0.273)  (  0.673,  -0.510,   0.273)  ( 0.00,  0.00,  0.00)
162: 24       ( -2.882,   2.485,   6.856)  ( -2.857,   2.502,   6.893)  ( 0.86,  0.69,  0.55)
162:     bond    ( -9.995,   7.266,  14.600)  ( -9.979,   7.275,  14.630)  ( 0.16,  0.13,  0.20)
162:     angle   ( -9.417,   7.281,   0.557)  ( -9.411,   7.285,   0.565)  ( 0.06,  0.05,  0.46)
162:     torsion (  0.613,   0.764,   0.016)  (  0.615,   0.768,   0.016)  ( 0.13,  0.28,  0.00)
162:     oop     ( -0.209,  -0.275,  -0.005)  ( -0.208,  -0.274,  -0.005)  ( 0.01,  0.01,  0.00)
162:     vdw     ( 16.237, -12.583,  -8.371)  ( 16.237, -12.583,  -8.371)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.111,   0.031,   0.058)  ( -0.111,   0.031,   0.058)  ( 0.00,  0.00,  0.00)
162: 25       (-13.655,  11.112,  -5.298)  (-13.630,  11.129,  -5.261)  ( 0.18,  0.16,  0.70)
162:     bond    (-36.528,  28.512,   0.130)  (-36.511,  28.523,   0.158)  ( 0.05,  0.04,  0.36)
162:     angle   (  5.526,  -3.478, -23.723)  (  5.531,  -3.475, -23.714)  ( 0.10,  0.10,  0.04)
162:     torsion ( -0.331,  -0.396,   0.008)  ( -0.329,  -0.392,   0.008)  ( 0.07,  0.14,  0.00)
162:     oop     (  0.226,   0.291,   0.007)  (  0.227,   0.292,   0.007)  ( 0.01,  0.01,  0.00)
162:     vdw     ( 17.509, -13.776,  18.233)  ( 17.510, -13.776,  18.233)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.058,  -0.042,   0.047)  ( -0.058,  -0.042,   0.047)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v2v_v12.sdf
165:     bond    ( 12.471,   8.264,  -8.201)  ( 12.475,   8.269,  -8.198)  ( 0.03,  0.05,  0.04)
165:     angle   ( -4.431,  -3.492,  12.184)  ( -4.428,  -3.490,  12.186)  ( 0.05,  0.06,  0.02)
165:     strbnd  ( -0.524,  -0.135,  -1.592)  ( -0.525,  -0.135,  -1.593)  ( 0.04,  0.01,  0.09)
165:     torsion (  0.324,   0.205,  -0.795)  (  0.324,   0.205,  -0.795)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -2.153,  -5.825,  12.012)  ( -2.153,  -5.825,  12.012)  ( 0.01,  0.00,  0.00)
165:     electro ( -5.634,   1.031, -13.597)  ( -5.634,   1.031, -13.597)  ( 0.00,  0.00,  0.00)
165: 13       ( -0.033,   0.044,  -0.066)  ( -0.028,   0.050,  -0.060)  ( 0.02,  0.02,  0.04)
165:     bond    ( -1.022,   2.769, -11.636)  ( -1.018,   2.773, -11.632)  ( 0.38,  0.15,  0.04)
165:     angle   (  2.667,  -0.692,   3.803)  (  2.669,  -0.690,   3.805)  ( 0.08,  0.14,  0.05)
165:     strbnd  ( -0.724,  -0.340,  -1.109)  ( -0.725,  -0.341,  -1.109)  ( 0.06,  0.02,  0.06)
165:     torsion (  0.405,   1.098,  -1.920)  (  0.405,   1.098,  -1.920)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -1.359,  -2.790,  10.796)  ( -1.359,  -2.790,  10.796)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 14       (  0.007,  -0.025,   0.013)  (  0.013,  -0.021,   0.019)  ( 0.00,  0.01,  0.01)
165:     bond    ( 11.175, -20.171,  13.213)  ( 11.179, -20.168,  13.217)  ( 0.04,  0.02,  0.03)
165:     angle   (  2.571,   9.759,   3.518)  (  2.573,   9.761,   3.520)  ( 0.08,  0.02,  0.06)
165:     strbnd  ( -2.280,   2.701,  -3.055)  ( -2.280,   2.700,  -3.056)  ( 0.02,  0.05,  0.02)
165:     torsion ( -0.110,  -0.615,   0.673)  ( -0.110,  -0.615,   0.673)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.374,  10.869,  -0.069)  (  0.374,  10.869,  -0.069)  ( 0.01,  0.00,  0.00)
165:     electro (-11.723,  -2.568, -14.267)  (-11.723,  -2.568, -14.267)  ( 0.00,  0.00,  0.00)
165: 15       (  0.013,  -0.037,  -0.024)  (  0.019,  -0.032,  -0.019)  ( 0.01,  0.02,  0.01)
165:     bond    ( -3.351, -12.352,  -4.364)  ( -3.347, -12.347,  -4.360)  ( 0.12,  0.03,  0.09)
165:     angle   (  1.262,   4.111,   2.963)  (  1.264,   4.113,   2.965)  ( 0.16,  0.05,  0.07)
165:     strbnd  (  0.414,  -1.051,   0.669)  (  0.413,  -1.052,   0.669)  ( 0.03,  0.07,  0.04)
165:     torsion (  0.521,  -2.349,  -0.078)  (  0.521,  -2.349,  -0.078)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  1.168,  11.604,   0.785)  (  1.168,  11.604,   0.785)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 16       ( -0.001,   0.047,  -0.037)  (  0.003,   0.054,  -0.031)  ( 0.00,  0.03,  0.02)
165:     bond    (-10.254,  10.924,  12.441)  (-10.251,  10.929,  12.446)  ( 0.03,  0.04,  0.03)
165:     angle   ( 11.832,  -5.832,   1.537)  ( 11.834,  -5.830,   1.540)  ( 0.02,  0.04,  0.14)
165:     strbnd  (  3.079,  -1.593,  -1.792)  (  3.078,  -1.593,  -1.793)  ( 0.04,  0.03,  0.03)
165:     torsion ( -0.671,   0.413,   0.394)  ( -0.671,   0.413,   0.394)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( 10.629,  -5.544,  -4.869)  ( 10.629,  -5.544,  -4.869)  ( 0.00,  0.00,  0.00)
165:     electro (-14.616,   1.679,  -7.750)  (-14.616,   1.679,  -7.750)  ( 0.00,  0.00,  0.00)
165: 17       (  0.044,  -0.013,  -0.069)  (  0.050,  -0.007,  -0.064)  ( 0.02,  0.01,  0.04)
165:     bond    (-11.600,   1.517,   0.561)  (-11.596,   1.521,   0.565)  ( 0.04,  0.28,  0.22)
165:     angle   (  4.361,   1.078,   1.006)  (  4.363,   1.080,   1.008)  ( 0.05,  0.19,  0.21)
165:     strbnd  ( -1.688,  -0.141,  -0.612)  ( -1.689,  -0.142,  -0.613)  ( 0.04,  0.01,  0.05)
165:     torsion ( -1.913,   0.730,   0.873)  ( -1.913,   0.730,   0.873)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( 10.884,  -3.197,  -1.897)  ( 10.884,  -3.196,  -1.897)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 18       ( -0.052,   0.010,   0.016)  ( -0.046,   0.015,   0.022)  ( 0.03,  0.01,  0.01)
165:     bond    ( -8.989,  -3.786,  -7.821)  ( -8.985,  -3.782,  -7.817)  ( 0.04,  0.10,  0.05)
165:     angle   ( -7.201,  -4.293,  -6.623)  ( -7.199,  -4.291,  -6.620)  ( 0.03,  0.05,  0.03)
165:     strbnd  (  0.874,   0.570,   0.666)  (  0.873,   0.569,   0.665)  ( 0.06,  0.05,  0.05)
165:     torsion (  3.308,   1.707,   2.879)  (  3.308,   1.708,   2.879)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( 11.956,   5.812,  10.915)  ( 11.956,   5.812,  10.915)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 19       ( -0.010,  -0.054,  -0.000)  ( -0.010,  -0.051,   0.000)  ( 0.00,  0.02,  0.00)
165:     bond    (  0.153,   1.775,  -0.001)  (  0.153,   1.779,  -0.001)  ( 0.00,  0.19,  0.00)
165:     angle   (  0.670,  -0.060,  -4.842)  (  0.670,  -0.060,  -4.841)  ( 0.03,  0.00,  0.01)
165:     strbnd  (  0.815,   0.040,  -1.119)  (  0.815,   0.040,  -1.119)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.405,   0.035,   0.864)  ( -0.405,   0.035,   0.864)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -1.243,  -1.845,   5.098)  ( -1.243,  -1.845,   5.098)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 20       ( -0.030,   0.008,  -0.000)  ( -0.027,   0.009,   0.001)  ( 0.01,  0.00,  0.00)
165:     bond    (  1.090,  -0.510,  -0.354)  (  1.093,  -0.510,  -0.354)  ( 0.24,  0.03,  0.01)
165:     angle   ( -1.149,   1.385,  -5.542)  ( -1.148,   1.385,  -5.542)  ( 0.01,  0.03,  0.01)
165:     strbnd  (  0.136,   1.058,  -0.892)  (  0.136,   1.058,  -0.892)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.156,  -0.327,  -0.012)  ( -0.156,  -0.327,  -0.012)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.048,  -1.599,   6.800)  (  0.048,  -1.599,   6.800)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 21       (  0.026,  -0.047,   0.017)  (  0.027,  -0.045,   0.018)  ( 0.00,  0.01,  0.00)
165:     bond    ( -1.201,   2.098,  -1.005)  ( -1.200,   2.100,  -1.004)  ( 0.06,  0.10,  0.05)
165:     angle   (  1.262,  -0.296,  -2.127)  (  1.262,  -0.296,  -2.126)  ( 0.04,  0.01,  0.02)
165:     strbnd  (  0.580,  -0.948,  -0.176)  (  0.580,  -0.948,  -0.176)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.425,  -0.185,   0.120)  ( -0.425,  -0.185,   0.120)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     ( -0.190,  -0.716,   3.204)  ( -0.190,  -0.716,   3.204)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 22       ( -0.010,   0.005,   0.009)  ( -0.009,   0.007,   0.011)  ( 0.00,  0.00,  0.00)
165:     bond    (  1.021,  -1.244,  -1.972)  (  1.022,  -1.244,  -1.970)  ( 0.05,  0.07,  0.10)
165:     angle   (  0.097,   2.258,  -1.376)  (  0.097,   2.259,  -1.375)  ( 0.00,  0.02,  0.01)
165:     strbnd  ( -0.623,   0.860,   0.374)  ( -0.623,   0.860,   0.374)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.785,  -0.995,   0.221)  ( -0.785,  -0.995,   0.221)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.280,  -0.873,   2.761)  (  0.280,  -0.873,   2.761)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 23       ( -0.000,  -0.002,  -0.005)  (  0.003,  -0.001,  -0.004)  ( 0.00,  0.00,  0.00)
165:     bond    ( -2.170,   0.852,   0.493)  ( -2.167,   0.853,   0.494)  ( 0.13,  0.04,  0.01)
164:  1       ( 47.614,  10.906,   0.039)  ( 47.621,  10.915,   0.093)  ( 0.02,  0.08,  0.21)
164:     bond    ( 30.636,  -6.297,   0.167)  ( 30.642,  -6.289,   0.167)  ( 0.02,  0.13,  0.00)
164:     angle   ( 32.862,  34.136,   0.480)  ( 32.865,  34.139,   0.480)  ( 0.01,  0.01,  0.00)
164:     strbnd  (-13.324,  -8.673,  -0.104)  (-13.325,  -8.674,  -0.104)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.006,   0.007,  -0.513)  (  0.006,   0.007,  -0.512)  ( 0.00,  0.00,  0.06)
164:     oop     (  0.002,   0.002,  -0.095)  (  0.001,   0.002,  -0.042)  ( 0.00,  0.00,  0.50)
164:     vdw     ( -4.980, -11.257,   0.121)  ( -4.980, -11.256,   0.121)  ( 0.00,  0.00,  0.00)
164:     electro (  2.412,   2.988,  -0.017)  (  2.412,   2.988,  -0.017)  ( 0.00,  0.00,  0.00)
164:  2       (-60.262, -26.974,  -2.058)  (-60.252, -26.966,  -1.947)  ( 0.02,  0.03,  5.40)
164:     bond    (-30.553,  -9.880,   0.169)  (-30.547,  -9.873,   0.169)  ( 0.02,  0.07,  0.00)
164:     angle   (-46.521, -10.271,   0.396)  (-46.518, -10.269,   0.396)  ( 0.01,  0.02,  0.00)
164:     strbnd  ( 17.496,  -2.306,  -0.133)  ( 17.495,  -2.306,  -0.133)  ( 0.00,  0.03,  0.00)
164:     torsion ( -0.025,   0.014,  -1.717)  ( -0.025,   0.014,  -1.715)  ( 0.00,  0.00,  0.08)
164:     oop     ( -0.004,   0.004,  -0.489)  ( -0.003,   0.003,  -0.380)  ( 0.00,  0.00,  5.38)
164:     vdw     (  1.588, -12.705,  -0.305)  (  1.588, -12.704,  -0.305)  ( 0.01,  0.00,  0.00)
164:     electro ( -2.243,   8.169,   0.021)  ( -2.243,   8.169,   0.021)  ( 0.00,  0.00,  0.00)
164:  3       ( 23.930, -14.242,   1.480)  ( 23.937, -14.234,   1.356)  ( 0.03,  0.06,  8.43)
164:     bond    ( 39.764,   9.492,  -0.196)  ( 39.769,   9.499,  -0.196)  ( 0.01,  0.07,  0.00)
164:     angle   ( -9.543, -33.981,   0.308)  ( -9.540, -33.979,   0.308)  ( 0.03,  0.01,  0.01)
164:     strbnd  ( -7.639,   9.515,  -0.055)  ( -7.639,   9.513,  -0.055)  ( 0.00,  0.01,  0.00)
164:     torsion (  0.011,   0.725,   0.814)  (  0.011,   0.725,   0.815)  ( 0.00,  0.00,  0.09)
164:     oop     (  0.005,   0.000,   0.631)  (  0.004,   0.000,   0.505)  ( 0.00,  0.00,  7.96)
164:     vdw     (  9.366,   0.886,   0.003)  (  9.367,   0.886,   0.003)  ( 0.00,  0.00,  0.00)
164:     electro ( -8.034,  -0.879,  -0.025)  ( -8.034,  -0.879,  -0.025)  ( 0.00,  0.00,  0.00)
164:  4       (  0.145,  -4.796,  -0.990)  (  0.155,  -4.783,  -0.870)  ( 0.15,  0.26, 11.92)
164:     bond    (-10.729, -14.628,   0.267)  (-10.721, -14.617,   0.267)  ( 0.08,  0.07,  0.01)
164:     angle   ( 32.474,  51.618,  -0.713)  ( 32.476,  51.622,  -0.713)  ( 0.01,  0.01,  0.01)
164:     strbnd  (-21.280, -41.834,   0.455)  (-21.281, -41.837,   0.455)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.002,  -0.000,   0.339)  ( -0.002,  -0.000,   0.341)  ( 0.00,  0.00,  0.04)
164:     oop     ( -0.004,  -0.005,  -0.706)  ( -0.003,  -0.004,  -0.587)  ( 0.00,  0.00,  8.43)
164:     vdw     (  7.224,  10.517,  -0.632)  (  7.224,  10.517,  -0.632)  ( 0.00,  0.00,  0.00)
164:     electro ( -7.539, -10.463,  -0.002)  ( -7.539, -10.463,  -0.002)  ( 0.00,  0.00,  0.00)
164:  5       ( 32.855,  54.085,  -1.765)  ( 32.859,  54.093,  -1.793)  ( 0.01,  0.01,  1.56)
164:     bond    ( 14.954,  25.801,  -0.346)  ( 14.956,  25.809,  -0.346)  ( 0.02,  0.03,  0.00)
164:     angle   ( -0.954,   0.553,   0.090)  ( -0.953,   0.554,   0.090)  ( 0.07,  0.01,  0.00)
164:     strbnd  ( 15.993,  27.797,  -0.361)  ( 15.993,  27.797,  -0.362)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.001,   0.000,   0.051)  (  0.001,   0.000,   0.051)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.001,   0.002,   0.182)  (  0.001,   0.001,   0.155)  ( 0.00,  0.00,  0.50)
164:     vdw     (  7.016,   4.718,  -1.422)  (  7.016,   4.718,  -1.422)  ( 0.00,  0.00,  0.00)
164:     electro ( -4.154,  -4.786,   0.041)  ( -4.154,  -4.786,   0.041)  ( 0.00,  0.00,  0.00)
164:  6       ( -0.168,   8.955,   0.093)  ( -0.160,   8.963,  -0.035)  ( 0.14,  0.09,  1.18)
164:     bond    (-14.177,  30.083,  -0.172)  (-14.170,  30.088,  -0.172)  ( 0.05,  0.02,  0.00)
164:     angle   (  8.442, -39.763,   0.869)  (  8.444, -39.760,   0.869)  ( 0.03,  0.01,  0.03)
164:     strbnd  ( 11.495,   9.907,  -0.096)  ( 11.495,   9.907,  -0.096)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.428,  -0.249,  -1.278)  ( -0.428,  -0.249,  -1.277)  ( 0.00,  0.00,  0.07)
164:     oop     ( -0.000,   0.003,   0.773)  ( -0.000,   0.003,   0.645)  ( 0.00,  0.00,  9.94)
164:     vdw     ( -6.893,  11.755,   0.015)  ( -6.893,  11.755,   0.015)  ( 0.00,  0.00,  0.00)
164:     electro (  1.393,  -2.782,  -0.018)  (  1.393,  -2.782,  -0.018)  ( 0.00,  0.00,  0.00)
164:  7       ( -6.398,  -0.930,  -0.886)  ( -6.384,  -0.921,  -0.765)  ( 0.22,  0.80, 10.80)
164:     bond    ( 14.169,   8.086,   0.243)  ( 14.182,   8.092,   0.243)  ( 0.09,  0.08,  0.01)
164:     angle   (-42.998, -14.458,  -0.436)  (-42.996, -14.456,  -0.436)  ( 0.01,  0.02,  0.01)
164:     strbnd  ( 11.153,   0.471,   0.082)  ( 11.151,   0.470,   0.082)  ( 0.01,  0.04,  0.00)
164:     torsion ( -0.004,  -0.002,   0.375)  ( -0.004,  -0.002,   0.376)  ( 0.00,  0.00,  0.03)
164:     oop     (  0.003,  -0.000,  -0.845)  (  0.003,  -0.000,  -0.724)  ( 0.00,  0.00, 10.22)
164:     vdw     ( -7.050,  -0.891,  -0.311)  ( -7.050,  -0.891,  -0.311)  ( 0.00,  0.01,  0.00)
164:     electro ( 18.330,   5.865,   0.006)  ( 18.330,   5.865,   0.006)  ( 0.00,  0.00,  0.00)
164:  8       (-50.729,  -2.197,  -0.507)  (-50.718,  -2.195,  -0.575)  ( 0.02,  0.05,  3.43)
164:     bond    (-33.079,   0.439,  -0.219)  (-33.068,   0.439,  -0.220)  ( 0.03,  0.01,  0.00)
164:     angle   (  0.010,   0.811,   0.102)  (  0.010,   0.812,   0.102)  ( 0.00,  0.09,  0.00)
164:     strbnd  (-14.392,  -0.434,  -0.079)  (-14.392,  -0.434,  -0.079)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.001,  -0.000,  -0.096)  (  0.001,  -0.000,  -0.096)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.002,  -0.000,   0.361)  ( -0.002,  -0.000,   0.293)  ( 0.00,  0.00,  2.44)
164:     vdw     ( -5.725,  -2.617,  -0.509)  ( -5.725,  -2.617,  -0.509)  ( 0.00,  0.01,  0.00)
164:     electro (  2.458,  -0.395,  -0.067)  (  2.458,  -0.395,  -0.067)  ( 0.00,  0.00,  0.00)
164:  9       (-32.034, -12.171,  -0.517)  (-32.026, -12.162,  -0.554)  ( 0.03,  0.07,  1.89)
164:     bond    (-31.682, -14.421,  -0.455)  (-31.675, -14.415,  -0.455)  ( 0.02,  0.04,  0.00)
164:     angle   (  5.174,   7.290,   0.065)  (  5.177,   7.293,   0.066)  ( 0.05,  0.03,  0.00)
164:     strbnd  ( -6.582,  -2.350,  -0.240)  ( -6.583,  -2.351,  -0.240)  ( 0.02,  0.05,  0.00)
164:     torsion (  0.000,   0.005,  -0.080)  (  0.000,   0.005,  -0.079)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.001,  -0.003,   0.207)  ( -0.000,  -0.002,   0.169)  ( 0.00,  0.00,  0.78)
164:     vdw     (  1.438,  -3.381,  -0.019)  (  1.438,  -3.381,  -0.019)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.381,   0.689,   0.005)  ( -0.381,   0.689,   0.005)  ( 0.00,  0.00,  0.00)
164: 10       (-11.709, -23.421,  -0.019)  (-11.704, -23.415,  -0.082)  ( 0.04,  0.03,  0.12)
164:     bond    (-32.483, -35.767,  -0.526)  (-32.480, -35.763,  -0.526)  ( 0.01,  0.01,  0.01)
164:     angle   ( 26.625,   6.434,  -0.197)  ( 26.627,   6.434,  -0.197)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -1.629,   3.816,   0.065)  ( -1.629,   3.816,   0.065)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.008,  -0.005,   0.486)  (  0.008,  -0.005,   0.486)  ( 0.00,  0.00,  0.02)
164:     oop     (  0.002,  -0.005,   0.355)  (  0.001,  -0.005,   0.291)  ( 0.00,  0.00,  2.26)
164:     vdw     ( -3.198,  -3.532,  -0.228)  ( -3.198,  -3.531,  -0.228)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.035,   5.639,   0.027)  ( -1.035,   5.639,   0.027)  ( 0.00,  0.00,  0.00)
164: 11       ( 35.827,   8.607,  -0.338)  ( 35.834,   8.614,  -0.245)  ( 0.02,  0.08,  3.13)
164:     bond    ( 44.495,  11.383,   0.093)  ( 44.502,  11.390,   0.093)  ( 0.01,  0.06,  0.00)
164:     angle   ( -0.477,  -4.825,  -0.116)  ( -0.475,  -4.823,  -0.116)  ( 0.09,  0.05,  0.00)
164:     strbnd  (-12.211,   2.309,   0.059)  (-12.213,   2.308,   0.059)  ( 0.02,  0.02,  0.00)
164:     torsion ( -0.001,  -0.001,   0.053)  ( -0.001,  -0.001,   0.054)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,   0.010,  -0.488)  ( -0.000,   0.008,  -0.397)  ( 0.00,  0.00,  4.49)
164:     vdw     (  4.096,  -0.193,   0.062)  (  4.096,  -0.193,   0.062)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.073,  -0.076,  -0.001)  ( -0.073,  -0.076,  -0.001)  ( 0.00,  0.00,  0.00)
164: 12       ( 16.696,   4.159,   1.198)  ( 16.701,   4.165,   1.188)  ( 0.03,  0.16,  0.77)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v2z_cdm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v3e_nnd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v3h_i25.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v3i_xx6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v3o_i26.sdf
164:     bond    ( 20.776,   7.319,   0.909)  ( 20.781,   7.324,   0.914)  ( 0.02,  0.06,  0.43)
164:     angle   (-13.754,  -4.812,  -0.102)  (-13.752,  -4.809,  -0.101)  ( 0.01,  0.04,  0.02)
164:     strbnd  ( 12.427,   3.908,   0.157)  ( 12.424,   3.908,   0.156)  ( 0.02,  0.02,  0.01)
164:     torsion ( -0.002,  -0.005,   0.222)  ( -0.002,  -0.005,   0.222)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.001,  -0.001,   0.057)  ( -0.000,  -0.001,   0.042)  ( 0.00,  0.00,  0.09)
164:     vdw     ( -1.953,  -4.180,  -0.065)  ( -1.953,  -4.180,  -0.065)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.796,   1.928,   0.020)  ( -0.796,   1.928,   0.020)  ( 0.00,  0.00,  0.00)
164: 13       (-13.757,  -4.403,   1.127)  (-13.752,  -4.397,   1.147)  ( 0.04,  0.15,  1.78)
164:     bond    (-22.923,  -0.335,   0.145)  (-22.919,  -0.330,   0.150)  ( 0.02,  0.16,  0.07)
164:     angle   (  7.410,   2.850,  -0.382)  (  7.411,   2.852,  -0.380)  ( 0.03,  0.07,  0.06)
164:     strbnd  (  0.558,  -0.831,  -0.003)  (  0.557,  -0.831,  -0.003)  ( 0.07,  0.03,  0.00)
164:     torsion (  0.051,  -3.726,   1.437)  (  0.051,  -3.726,   1.438)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.001,  -0.000,  -0.079)  ( -0.001,  -0.000,  -0.065)  ( 0.00,  0.00,  0.11)
164:     vdw     (  6.098,  -3.967,   0.005)  (  6.098,  -3.967,   0.005)  ( 0.00,  0.00,  0.00)
164:     electro ( -4.950,   1.606,   0.003)  ( -4.950,   1.606,   0.003)  ( 0.00,  0.00,  0.00)
164: 14       (  9.355, -11.349,   3.836)  (  9.361, -11.344,   3.856)  ( 0.06,  0.05,  0.53)
164:     bond    ( 11.197, -20.692,  -0.065)  ( 11.201, -20.688,  -0.061)  ( 0.04,  0.02,  0.03)
164:     angle   ( -3.458,   7.005,  -0.620)  ( -3.456,   7.007,  -0.619)  ( 0.06,  0.03,  0.09)
164:     strbnd  (  0.022,   0.227,   0.010)  (  0.021,   0.226,   0.009)  ( 0.00,  0.02,  0.00)
164:     torsion (  2.182,   1.253,   4.593)  (  2.182,   1.253,   4.593)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,  -0.001,  -0.092)  (  0.000,  -0.001,  -0.078)  ( 0.00,  0.00,  0.13)
164:     vdw     ( -4.679,   7.355,  -0.008)  ( -4.679,   7.355,  -0.008)  ( 0.00,  0.00,  0.00)
164:     electro (  4.091,  -6.495,   0.019)  (  4.091,  -6.495,   0.019)  ( 0.00,  0.00,  0.00)
164: 15       ( -0.465,   5.538,   0.483)  ( -0.465,   5.543,   0.432)  ( 0.04,  0.09,  2.45)
164:     bond    ( -0.036,   7.926,   0.175)  ( -0.036,   7.930,   0.175)  ( 0.00,  0.05,  0.00)
164:     angle   ( -5.802,  -0.026,  -0.014)  ( -5.802,  -0.026,  -0.014)  ( 0.01,  0.00,  0.00)
164:     strbnd  (  3.604,  -0.129,  -0.013)  (  3.604,  -0.129,  -0.013)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.001,  -0.003,   0.136)  (  0.001,  -0.003,   0.136)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,  -0.005,   0.223)  (  0.000,  -0.004,   0.172)  ( 0.00,  0.00,  1.13)
164:     vdw     (  1.248,  -1.217,  -0.011)  (  1.248,  -1.217,  -0.011)  ( 0.00,  0.00,  0.00)
164:     electro (  0.520,  -1.008,  -0.012)  (  0.520,  -1.008,  -0.012)  ( 0.00,  0.00,  0.00)
164: 16       (  3.795,  -2.075,  -0.170)  (  3.796,  -2.072,  -0.169)  ( 0.02,  0.17,  0.01)
164:     bond    ( -0.033,  -1.994,  -0.084)  ( -0.033,  -1.991,  -0.084)  ( 0.00,  0.17,  0.00)
164:     angle   (  5.569,  -0.090,  -0.056)  (  5.570,  -0.090,  -0.056)  ( 0.01,  0.00,  0.00)
164:     strbnd  (  2.049,   1.116,   0.067)  (  2.049,   1.116,   0.067)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.000,   0.000,  -0.009)  (  0.000,   0.000,  -0.009)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.791,  -1.108,  -0.087)  ( -3.791,  -1.108,  -0.087)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 17       (  3.734,   1.697,   3.317)  (  3.735,   1.697,   3.320)  ( 0.03,  0.05,  0.08)
164:     bond    ( -0.653,   0.424,   1.150)  ( -0.653,   0.424,   1.152)  ( 0.05,  0.01,  0.21)
164:     angle   (  4.116,   2.173,   1.530)  (  4.116,   2.174,   1.530)  ( 0.01,  0.02,  0.01)
164:     strbnd  (  2.185,   0.599,  -0.219)  (  2.185,   0.599,  -0.219)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.003,  -0.008,   0.004)  (  0.003,  -0.008,   0.004)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.916,  -1.492,   0.852)  ( -1.916,  -1.492,   0.852)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 18       (  3.357,   1.877,  -3.735)  (  3.358,   1.877,  -3.733)  ( 0.04,  0.05,  0.07)
164:     bond    ( -0.951,   0.766,  -1.640)  ( -0.950,   0.766,  -1.638)  ( 0.07,  0.04,  0.14)
164:     angle   (  4.217,   2.283,  -1.378)  (  4.217,   2.284,  -1.377)  ( 0.01,  0.02,  0.01)
164:     strbnd  (  2.195,   0.574,   0.319)  (  2.195,   0.574,   0.319)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.003,   0.007,   0.005)  ( -0.003,   0.007,   0.005)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.102,  -1.754,  -1.042)  ( -2.101,  -1.754,  -1.042)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 19       ( -0.948,   1.749,  -2.994)  ( -0.947,   1.750,  -2.991)  ( 0.08,  0.04,  0.10)
164:     bond    (  0.687,   0.547,  -1.969)  (  0.688,   0.547,  -1.967)  ( 0.02,  0.01,  0.15)
164:     angle   ( -2.117,   0.190,  -0.687)  ( -2.116,   0.190,  -0.687)  ( 0.02,  0.01,  0.01)
164:     strbnd  ( -1.351,  -0.031,   0.069)  ( -1.351,  -0.031,   0.069)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.009,   1.344,   0.371)  ( -0.009,   1.344,   0.371)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.840,  -0.300,  -0.777)  (  1.840,  -0.300,  -0.777)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 20       (  3.214,  -1.427,   1.320)  (  3.215,  -1.424,   1.320)  ( 0.03,  0.21,  0.05)
164:     bond    (  0.757,  -1.956,   0.504)  (  0.757,  -1.953,   0.504)  ( 0.03,  0.15,  0.01)
164:     angle   ( -2.944,  -1.085,   0.217)  ( -2.943,  -1.085,   0.218)  ( 0.02,  0.01,  0.01)
164:     strbnd  ( -1.362,   0.055,  -0.006)  ( -1.362,   0.055,  -0.006)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.001,  -0.023,  -0.087)  ( -0.001,  -0.023,  -0.087)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  6.765,   1.580,   0.691)  (  6.765,   1.580,   0.691)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 21       (  1.311,   2.298,   1.796)  (  1.312,   2.300,   1.798)  ( 0.07,  0.08,  0.10)
164:     bond    (  0.773,   1.536,   1.536)  (  0.773,   1.538,   1.538)  ( 0.03,  0.10,  0.10)
164:     angle   ( -2.380,   0.642,   0.554)  ( -2.380,   0.642,   0.554)  ( 0.02,  0.02,  0.01)
164:     strbnd  ( -1.349,  -0.045,  -0.017)  ( -1.349,  -0.045,  -0.017)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.034,   1.670,  -1.653)  ( -0.034,   1.670,  -1.653)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.301,  -1.506,   1.375)  (  4.301,  -1.506,   1.375)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 22       ( -2.919,   0.875,   1.448)  ( -2.916,   0.876,   1.450)  ( 0.08,  0.06,  0.11)
164:     bond    ( -1.870,  -0.110,   1.417)  ( -1.868,  -0.110,   1.418)  ( 0.12,  0.00,  0.09)
164:     angle   (  0.520,  -2.593,   0.484)  (  0.520,  -2.593,   0.484)  ( 0.01,  0.02,  0.01)
164:     strbnd  (  0.654,  -1.205,   0.011)  (  0.654,  -1.205,   0.011)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.476,  -0.834,  -2.010)  ( -1.476,  -0.834,  -2.010)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.746,   5.617,   1.547)  ( -0.746,   5.617,   1.547)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 23       ( -2.177,   4.626,   0.844)  ( -2.175,   4.628,   0.845)  ( 0.08,  0.05,  0.06)
164:     bond    (  1.483,   1.776,   0.765)  (  1.485,   1.778,   0.766)  ( 0.09,  0.10,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v3r_xx7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v42_nds.sdf
165:     angle   ( -2.709,  -4.551,  -4.037)  ( -2.709,  -4.550,  -4.036)  ( 0.00,  0.01,  0.01)
165:     strbnd  (  0.176,  -2.037,   0.838)  (  0.176,  -2.037,   0.838)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.238,   0.878,  -0.470)  (  0.238,   0.878,  -0.470)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  4.466,   4.856,   3.170)  (  4.466,   4.856,   3.170)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 24       ( -0.002,   0.009,  -0.015)  ( -0.001,   0.010,  -0.012)  ( 0.00,  0.00,  0.00)
165:     bond    (  0.707,   0.613,  -2.070)  (  0.707,   0.614,  -2.067)  ( 0.02,  0.02,  0.14)
165:     angle   ( -4.504,  -2.559,  -2.301)  ( -4.503,  -2.559,  -2.301)  ( 0.01,  0.02,  0.01)
165:     strbnd  (  0.695,  -2.064,   0.376)  (  0.695,  -2.064,   0.376)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.221,  -0.053,  -0.091)  ( -0.221,  -0.053,  -0.091)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  3.321,   4.072,   4.071)  (  3.321,   4.072,   4.071)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 25       ( -0.009,  -0.007,  -0.002)  ( -0.007,  -0.005,  -0.001)  ( 0.00,  0.00,  0.00)
165:     bond    ( -1.648,  -1.647,   1.112)  ( -1.647,  -1.646,   1.112)  ( 0.08,  0.08,  0.06)
165:     angle   (  1.712,  -2.113,  -0.592)  (  1.713,  -2.113,  -0.591)  ( 0.02,  0.01,  0.03)
165:     strbnd  (  0.745,   0.180,  -0.903)  (  0.745,   0.180,  -0.903)  ( 0.00,  0.00,  0.00)
165:     torsion ( -1.112,   0.821,  -0.431)  ( -1.112,   0.821,  -0.431)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.294,   2.752,   0.812)  (  0.294,   2.752,   0.812)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 26       ( -0.008,   0.000,   0.010)  ( -0.007,   0.001,   0.012)  ( 0.00,  0.00,  0.00)
165:     bond    (  1.332,  -1.438,  -1.930)  (  1.333,  -1.438,  -1.928)  ( 0.06,  0.06,  0.09)
165:     angle   ( -0.781,  -2.060,   0.995)  ( -0.781,  -2.059,   0.995)  ( 0.03,  0.02,  0.03)
165:     strbnd  ( -0.923,   0.023,   0.780)  ( -0.923,   0.023,   0.780)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.202,   0.234,  -0.314)  ( -0.202,   0.234,  -0.314)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.566,   3.241,   0.479)  (  0.566,   3.241,   0.479)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 27       (  0.005,  -0.016,   0.014)  (  0.006,  -0.015,   0.017)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.381,  -0.596,   1.972)  ( -0.381,  -0.596,   1.975)  ( 0.00,  0.02,  0.15)
165:     angle   ( -5.129,   2.087,  -0.360)  ( -5.128,   2.087,  -0.360)  ( 0.01,  0.02,  0.00)
165:     strbnd  ( -1.239,   1.214,   0.126)  ( -1.239,   1.214,   0.126)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.569,  -0.651,  -0.087)  (  0.569,  -0.651,  -0.087)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  6.185,  -2.069,  -1.637)  (  6.186,  -2.069,  -1.637)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 28       (  0.001,  -0.026,  -0.001)  (  0.001,  -0.023,   0.000)  ( 0.00,  0.01,  0.00)
165:     bond    (  0.029,   2.103,  -0.090)  (  0.029,   2.106,  -0.090)  ( 0.00,  0.16,  0.00)
165:     angle   ( -3.823,   0.096,   0.999)  ( -3.823,   0.096,   0.999)  ( 0.02,  0.00,  0.05)
165:     strbnd  ( -1.408,   0.111,   1.022)  ( -1.408,   0.111,   1.022)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.186,  -0.014,  -0.265)  (  0.186,  -0.014,  -0.265)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  5.016,  -2.322,  -1.666)  (  5.016,  -2.322,  -1.666)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 29       ( -0.010,   0.009,   0.006)  ( -0.009,   0.011,   0.007)  ( 0.00,  0.00,  0.00)
165:     bond    ( -1.360,   1.906,  -0.984)  ( -1.359,   1.908,  -0.983)  ( 0.07,  0.10,  0.05)
165:     angle   ( -1.796,  -0.247,   2.003)  ( -1.796,  -0.247,   2.004)  ( 0.02,  0.01,  0.02)
165:     strbnd  (  0.022,  -0.940,   0.574)  (  0.022,  -0.940,   0.574)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.230,  -0.392,  -1.079)  (  0.230,  -0.392,  -1.079)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  2.893,  -0.319,  -0.508)  (  2.893,  -0.319,  -0.508)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 30       ( -0.034,  -0.020,   0.025)  ( -0.032,  -0.019,   0.027)  ( 0.01,  0.00,  0.00)
165:     bond    ( -1.739,  -1.521,   1.401)  ( -1.737,  -1.520,   1.402)  ( 0.08,  0.07,  0.07)
165:     angle   ( -1.608,   1.824,  -0.015)  ( -1.608,   1.824,  -0.015)  ( 0.02,  0.02,  0.00)
165:     strbnd  (  0.184,   0.874,  -0.682)  (  0.184,   0.874,  -0.682)  ( 0.00,  0.00,  0.00)
165:     torsion (  0.081,  -0.467,  -0.406)  (  0.081,  -0.467,  -0.406)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  3.048,  -0.731,  -0.273)  (  3.048,  -0.731,  -0.273)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: 31       (  0.009,  -0.001,   0.008)  (  0.010,   0.000,   0.009)  ( 0.00,  0.00,  0.00)
165:     bond    ( -0.898,  -0.437,  -0.824)  ( -0.896,  -0.436,  -0.823)  ( 0.15,  0.02,  0.11)
165:     angle   (  0.051,   0.059,  -0.088)  (  0.051,   0.060,  -0.088)  ( 0.00,  0.00,  0.00)
165:     strbnd  ( -0.056,   0.008,  -0.026)  ( -0.056,   0.008,  -0.026)  ( 0.00,  0.00,  0.00)
165:     torsion ( -0.032,  -0.088,   0.081)  ( -0.032,  -0.087,   0.081)  ( 0.00,  0.00,  0.00)
165:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165:     vdw     (  0.943,   0.456,   0.865)  (  0.943,   0.456,   0.865)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
165: ok 14 # gradients 
165: ok 15 # energy 
165: ----------------------------------------------------------------------------------------
165:                                                                                         
165:   VALIDATE GRADIENTS : vuwxug.xyz
165:                                                                                         
165:                                                                                         
165: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
165: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v5x_v5x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v5z_sag.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v77_pay.sdf
165:  1       (  0.017,  -0.032,  -0.004)  (  0.360,   0.161,  -0.046)  ( 0.59,  0.62,  0.02)
165:     bond    (  4.935,  -9.109,  -1.104)  (  4.935,  -9.107,  -1.104)  ( 0.02,  0.03,  0.01)
165:     angle   ( -2.548,  -2.956,  12.992)  ( -2.548,  -2.956,  12.993)  ( 0.00,  0.00,  0.01)
165:     strbnd  (  3.655,  -7.443,   0.124)  (  3.655,  -7.443,   0.124)  ( 0.00,  0.00,  0.00)
165:     torsion (  4.665,   2.461,   0.552)  (  4.665,   2.461,   0.552)  ( 0.00,  0.00,  0.00)
165:     oop     ( -2.201,  -1.235,   0.352)  ( -1.859,  -1.045,   0.309)  (15.54, 15.42,  1.50)
165:     vdw     ( -2.138,   3.876,  -4.785)  ( -2.138,   3.876,  -4.785)  ( 0.00,  0.00,  0.00)
165:     electro ( -6.351,  14.374,  -8.135)  ( -6.351,  14.374,  -8.135)  ( 0.00,  0.00,  0.00)
165:  2       (  0.013,  -0.006,  -0.016)  (  0.100,   0.046,   0.007)  ( 0.12,  0.03,  0.04)
165:     bond    (  6.117, -25.834, -17.177)  (  6.117, -25.831, -17.166)  ( 0.01,  0.01,  0.06)
165:     angle   ( -9.069,  20.562,  11.811)  ( -9.068,  20.564,  11.813)  ( 0.00,  0.01,  0.02)
165:     strbnd  ( -0.570,   2.942,  11.231)  ( -0.570,   2.942,  11.229)  ( 0.00,  0.01,  0.02)
165:     torsion (  5.151,   1.716,  -0.095)  (  5.151,   1.716,  -0.095)  ( 0.01,  0.00,  0.00)
165:     oop     ( -0.825,  -0.292,  -0.005)  ( -0.739,  -0.246,   0.007)  ( 7.08,  1.34,  0.01)
165:     vdw     ( -0.760,   1.774,  -1.397)  ( -0.760,   1.774,  -1.397)  ( 0.00,  0.00,  0.00)
165:     electro ( -0.031,  -0.874,  -4.384)  ( -0.031,  -0.874,  -4.384)  ( 0.00,  0.00,  0.00)
165:  3       ( -0.030,   0.042,  -0.002)  ( -1.051,  -0.373,   0.176)  ( 3.08,  1.73,  0.04)
165:     bond    ( -0.092,  -4.505,  20.203)  ( -0.091,  -4.501,  20.209)  ( 0.01,  0.11,  0.03)
165:     angle   ( 15.243, -23.754, -22.274)  ( 15.243, -23.753, -22.272)  ( 0.00,  0.01,  0.01)
165:     strbnd  ( -1.022,   1.368,   2.985)  ( -1.022,   1.367,   2.985)  ( 0.02,  0.04,  0.02)
165:     torsion (-13.562,  -4.422,   0.317)  (-13.562,  -4.422,   0.317)  ( 0.00,  0.00,  0.00)
165:     oop     (  7.262,   2.827,  -1.384)  (  6.240,   2.406,  -1.213)  (14.07, 14.88, 12.33)
165:     vdw     ( -1.549,   6.037,   1.007)  ( -1.549,   6.037,   1.007)  ( 0.00,  0.00,  0.00)
165:     electro ( -6.310,  22.492,  -0.857)  ( -6.310,  22.492,  -0.857)  ( 0.00,  0.00,  0.00)
165:  4       ( -0.008,   0.003,  -0.019)  (  0.107,   0.035,  -0.019)  ( 0.09,  0.01,  0.00)
165:     bond    (  0.074,  -3.835, -13.494)  (  0.074,  -3.834, -13.485)  ( 0.00,  0.02,  0.06)
165:     angle   (  0.976,  -3.230,   0.924)  (  0.976,  -3.229,   0.924)  ( 0.00,  0.02,  0.01)
165:     strbnd  ( -0.552,   0.029,  -7.860)  ( -0.552,   0.029,  -7.860)  ( 0.00,  0.00,  0.00)
165:     torsion ( -1.574,  -0.412,   0.108)  ( -1.574,  -0.412,   0.108)  ( 0.01,  0.00,  0.00)
165:     oop     ( -0.503,  -0.135,   0.036)  ( -0.388,  -0.104,   0.028)  ( 5.79,  0.41,  0.03)
165:     vdw     (  0.515,   2.328,   5.755)  (  0.515,   2.328,   5.755)  ( 0.00,  0.01,  0.00)
165:     electro (  1.057,   5.257,  14.512)  (  1.057,   5.257,  14.512)  ( 0.00,  0.00,  0.00)
165:  5       (  0.003,  -0.006,   0.005)  (  0.404,   0.128,  -0.118)  ( 0.12,  0.08,  0.06)
165:     bond    (  0.018,   0.073,   0.129)  (  0.018,   0.074,   0.133)  ( 0.00,  0.01,  0.05)
165:     angle   ( -4.844,   9.643,  -4.711)  ( -4.844,   9.644,  -4.711)  ( 0.00,  0.01,  0.00)
165:     strbnd  ( -0.264,   0.055,   0.251)  ( -0.264,   0.055,   0.251)  ( 0.00,  0.00,  0.00)
165:     torsion (  4.454,   0.421,  -0.829)  (  4.455,   0.421,  -0.829)  ( 0.00,  0.00,  0.00)
165:     oop     ( -3.071,  -0.983,   0.957)  ( -2.670,  -0.852,   0.830)  (13.05, 12.95, 12.12)
165:     vdw     ( -0.672,   1.547,  -1.346)  ( -0.672,   1.547,  -1.346)  ( 0.00,  0.00,  0.00)
165:     electro (  4.382, -10.762,   5.553)  (  4.382, -10.762,   5.553)  ( 0.00,  0.00,  0.00)
165:  6       ( -0.018,  -0.005,  -0.006)  ( -0.100,  -0.046,  -0.007)  ( 0.15,  0.02,  0.00)
165:     bond    ( -6.118,  25.827,  17.156)  ( -6.117,  25.831,  17.166)  ( 0.01,  0.01,  0.06)
165:     angle   (  9.068, -20.566, -11.815)  (  9.068, -20.564, -11.813)  ( 0.00,  0.01,  0.02)
165:     strbnd  (  0.570,  -2.941, -11.227)  (  0.570,  -2.942, -11.229)  ( 0.00,  0.01,  0.02)
165:     torsion ( -5.151,  -1.716,   0.095)  ( -5.151,  -1.716,   0.095)  ( 0.01,  0.00,  0.00)
165:     oop     (  0.822,   0.291,   0.005)  (  0.739,   0.246,  -0.007)  ( 6.84,  1.33,  0.01)
165:     vdw     (  0.760,  -1.774,   1.397)  (  0.760,  -1.774,   1.397)  ( 0.00,  0.00,  0.00)
165:     electro (  0.031,   0.874,   4.384)  (  0.031,   0.874,   4.384)  ( 0.00,  0.00,  0.00)
165:  7       (  0.027,  -0.054,  -0.013)  (  1.051,   0.373,  -0.176)  ( 2.79,  2.29,  0.21)
165:     bond    (  0.090,   4.496, -20.215)  (  0.091,   4.501, -20.209)  ( 0.01,  0.11,  0.03)
165:     angle   (-15.244,  23.751,  22.270)  (-15.243,  23.753,  22.272)  ( 0.00,  0.01,  0.01)
165:     strbnd  (  1.022,  -1.367,  -2.985)  (  1.022,  -1.367,  -2.985)  ( 0.02,  0.04,  0.02)
165:     torsion ( 13.561,   4.422,  -0.317)  ( 13.562,   4.422,  -0.317)  ( 0.00,  0.00,  0.00)
165:     oop     ( -7.262,  -2.827,   1.384)  ( -6.240,  -2.406,   1.213)  (14.07, 14.88, 12.33)
165:     vdw     (  1.549,  -6.037,  -1.007)  (  1.549,  -6.037,  -1.007)  ( 0.00,  0.00,  0.00)
165:     electro (  6.310, -22.492,   0.857)  (  6.310, -22.492,   0.857)  ( 0.00,  0.00,  0.00)
165:  8       (  0.007,  -0.006,   0.002)  ( -0.107,  -0.035,   0.019)  ( 0.08,  0.02,  0.00)
165:     bond    ( -0.074,   3.834,  13.477)  ( -0.074,   3.834,  13.485)  ( 0.00,  0.02,  0.06)
165:     angle   ( -0.976,   3.229,  -0.924)  ( -0.976,   3.229,  -0.924)  ( 0.00,  0.02,  0.01)
165:     strbnd  (  0.552,  -0.030,   7.860)  (  0.552,  -0.029,   7.860)  ( 0.00,  0.00,  0.00)
165:     torsion (  1.574,   0.412,  -0.108)  (  1.574,   0.412,  -0.108)  ( 0.01,  0.00,  0.00)
165:     oop     (  0.503,   0.135,  -0.036)  (  0.388,   0.104,  -0.028)  ( 5.76,  0.41,  0.03)
165:     vdw     ( -0.515,  -2.328,  -5.755)  ( -0.515,  -2.328,  -5.755)  ( 0.00,  0.01,  0.00)
165:     electro ( -1.057,  -5.257, -14.512)  ( -1.057,  -5.257, -14.512)  ( 0.00,  0.00,  0.00)
165:  9       ( -0.019,   0.027,   0.003)  ( -0.360,  -0.161,   0.046)  ( 0.63,  0.51,  0.01)
165:     bond    ( -4.936,   9.104,   1.104)  ( -4.935,   9.107,   1.104)  ( 0.02,  0.03,  0.01)
165:     angle   (  2.548,   2.956, -12.993)  (  2.548,   2.956, -12.993)  ( 0.00,  0.00,  0.01)
165:     strbnd  ( -3.655,   7.442,  -0.124)  ( -3.655,   7.443,  -0.124)  ( 0.00,  0.00,  0.00)
165:     torsion ( -4.666,  -2.462,  -0.552)  ( -4.665,  -2.461,  -0.552)  ( 0.00,  0.00,  0.00)
165:     oop     (  2.201,   1.235,  -0.352)  (  1.859,   1.045,  -0.309)  (15.54, 15.42,  1.50)
165:     vdw     (  2.138,  -3.876,   4.785)  (  2.138,  -3.876,   4.785)  ( 0.00,  0.00,  0.00)
165:     electro (  6.351, -14.374,   8.135)  (  6.351, -14.374,   8.135)  ( 0.00,  0.00,  0.00)
165: 10       ( -0.004,   0.002,  -0.012)  ( -0.404,  -0.128,   0.118)  ( 0.15,  0.03,  0.16)
165:     bond    ( -0.018,  -0.075,  -0.136)  ( -0.018,  -0.074,  -0.133)  ( 0.00,  0.01,  0.05)
165:     angle   (  4.844,  -9.644,   4.710)  (  4.844,  -9.644,   4.711)  ( 0.00,  0.01,  0.00)
165:     strbnd  (  0.264,  -0.055,  -0.251)  (  0.264,  -0.055,  -0.251)  ( 0.00,  0.00,  0.00)
165:     torsion ( -4.455,  -0.421,   0.829)  ( -4.455,  -0.421,   0.829)  ( 0.00,  0.00,  0.00)
165:     oop     (  3.071,   0.983,  -0.957)  (  2.670,   0.852,  -0.830)  (13.05, 12.95, 12.12)
165:     vdw     (  0.672,  -1.547,   1.346)  (  0.672,  -1.547,   1.346)  ( 0.00,  0.00,  0.00)
165:     electro ( -4.382,  10.762,  -5.553)  ( -4.382,  10.762,  -5.553)  ( 0.00,  0.00,  0.00)
165: ok 16 # gradients 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v7m_dte.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v7v_5fd.sdf
158/208 Test #165: test_ffmmff94_2 ..................   Passed    0.40 sec
test 166
        Start 166: test_ffmmff94_3
166: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "ffmmff94" "3"
166: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
166: Environment variables: 
166:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
166:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
166: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v91_s55.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2v9c_mre.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vag_v25.sdf
166: # Testing MMFF94 Force Field...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vaq_vaw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2var_kdf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vau_v20.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vba_p4t.sdf
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 27       (552.444, 341.770, 475.989)  (552.499, 341.837, 476.081)  ( 0.01,  0.02,  0.02)
163:     bond    (551.443, 337.686, 473.237)  (551.490, 337.743, 473.318)  ( 0.01,  0.02,  0.02)
163:     angle   ( -0.107,   0.027,   0.489)  ( -0.101,   0.035,   0.499)  ( 0.07,  0.02,  0.50)
163:     torsion (  0.045,  -0.041,   0.033)  (  0.046,  -0.041,   0.034)  ( 0.01,  0.00,  0.00)
163:     vdw     (  1.064,   4.099,   2.230)  (  1.064,   4.099,   2.230)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 28       (-682.022, -423.091,  -0.090)  (-681.921, -423.070,   0.000)  ( 0.01,  0.01,  0.82)
163:     bond    (-677.189, -423.243,  -0.078)  (-677.098, -423.228,   0.000)  ( 0.01,  0.00,  0.61)
163:     angle   ( -0.091,  -0.295,  -0.011)  ( -0.082,  -0.291,   0.000)  ( 0.09,  0.12,  0.01)
163:     torsion (  0.015,  -0.052,  -0.001)  (  0.015,  -0.050,   0.000)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -4.757,   0.499,  -0.000)  ( -4.757,   0.499,  -0.000)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 29       (211.175, -129.938, -763.780)  (211.256, -129.900, -763.686)  ( 0.04,  0.03,  0.01)
163:     bond    (208.396, -131.774, -760.656)  (208.466, -131.744, -760.571)  ( 0.03,  0.02,  0.01)
163:     angle   (  0.202,  -0.114,   0.436)  (  0.212,  -0.107,   0.445)  ( 0.20,  0.07,  0.37)
163:     torsion (  0.042,   0.071,   0.042)  (  0.043,   0.072,   0.042)  ( 0.00,  0.01,  0.00)
163:     vdw     (  2.535,   1.878,  -3.603)  (  2.535,   1.878,  -3.603)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 30       (681.819, 423.048,  -0.090)  (681.921, 423.070,   0.000)  ( 0.01,  0.01,  0.82)
163:     bond    (677.006, 423.212,  -0.078)  (677.098, 423.228,   0.000)  ( 0.01,  0.00,  0.61)
163:     angle   (  0.072,   0.287,  -0.011)  (  0.082,   0.291,   0.000)  ( 0.07,  0.11,  0.01)
163:     torsion ( -0.016,   0.048,  -0.001)  ( -0.015,   0.050,   0.000)  ( 0.00,  0.01,  0.00)
163:     vdw     (  4.757,  -0.499,  -0.000)  (  4.757,  -0.499,   0.000)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 31       (423.048,  -0.090, -682.022)  (423.070,  -0.000, -681.921)  ( 0.01,  0.82,  0.01)
163:     bond    (423.212,  -0.078, -677.189)  (423.228,   0.000, -677.098)  ( 0.00,  0.61,  0.01)
163:     angle   (  0.287,  -0.011,  -0.091)  (  0.291,   0.000,  -0.082)  ( 0.11,  0.01,  0.09)
163:     torsion (  0.048,  -0.001,   0.015)  (  0.050,   0.000,   0.015)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -0.499,  -0.000,  -4.757)  ( -0.499,  -0.000,  -4.757)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 32       (-129.938, 763.591, 211.175)  (-129.900, 763.686, 211.256)  ( 0.03,  0.01,  0.04)
163:     bond    (-131.774, 760.485, 208.396)  (-131.744, 760.571, 208.466)  ( 0.02,  0.01,  0.03)
163:     angle   ( -0.114,  -0.453,   0.202)  ( -0.107,  -0.445,   0.212)  ( 0.07,  0.38,  0.20)
163:     torsion (  0.071,  -0.043,   0.042)  (  0.072,  -0.042,   0.043)  ( 0.01,  0.00,  0.00)
163:     vdw     (  1.878,   3.603,   2.535)  (  1.878,   3.603,   2.535)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 33       (-211.337, -129.938, 763.591)  (-211.256, -129.900, 763.686)  ( 0.04,  0.03,  0.01)
163:     bond    (-208.536, -131.774, 760.485)  (-208.466, -131.744, 760.571)  ( 0.03,  0.02,  0.01)
163:     angle   ( -0.222,  -0.114,  -0.453)  ( -0.212,  -0.107,  -0.445)  ( 0.22,  0.07,  0.38)
163:     torsion ( -0.044,   0.071,  -0.043)  ( -0.043,   0.072,  -0.042)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -2.535,   1.878,   3.603)  ( -2.535,   1.878,   3.603)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 34       (681.819, -423.091,  -0.090)  (681.921, -423.070,   0.000)  ( 0.01,  0.01,  0.82)
163:     bond    (677.006, -423.243,  -0.078)  (677.098, -423.228,   0.000)  ( 0.01,  0.00,  0.61)
163:     angle   (  0.072,  -0.295,  -0.011)  (  0.082,  -0.291,   0.000)  ( 0.07,  0.12,  0.01)
163:     torsion ( -0.016,  -0.052,  -0.001)  ( -0.015,  -0.050,  -0.000)  ( 0.00,  0.01,  0.00)
163:     vdw     (  4.757,   0.499,  -0.000)  (  4.757,   0.499,   0.000)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 35       (-552.554, 341.770, -476.173)  (-552.499, 341.837, -476.081)  ( 0.01,  0.02,  0.02)
163:     bond    (-551.537, 337.686, -473.399)  (-551.490, 337.743, -473.318)  ( 0.01,  0.02,  0.02)
163:     angle   (  0.094,   0.027,  -0.509)  (  0.101,   0.035,  -0.499)  ( 0.06,  0.02,  0.52)
163:     torsion ( -0.048,  -0.041,  -0.034)  ( -0.046,  -0.041,  -0.034)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -1.064,   4.099,  -2.230)  ( -1.064,   4.099,  -2.230)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 36       (-552.554, 341.770, 475.989)  (-552.499, 341.837, 476.081)  ( 0.01,  0.02,  0.02)
163:     bond    (-551.537, 337.686, 473.237)  (-551.490, 337.743, 473.318)  ( 0.01,  0.02,  0.02)
163:     angle   (  0.094,   0.027,   0.489)  (  0.101,   0.035,   0.499)  ( 0.06,  0.02,  0.50)
163:     torsion ( -0.048,  -0.041,   0.033)  ( -0.046,  -0.041,   0.034)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -1.064,   4.099,   2.230)  ( -1.064,   4.099,   2.230)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 37       (-423.091,  -0.090, 681.819)  (-423.070,   0.000, 681.921)  ( 0.01,  0.82,  0.01)
163:     bond    (-423.243,  -0.078, 677.006)  (-423.228,   0.000, 677.098)  ( 0.00,  0.61,  0.01)
163:     angle   ( -0.295,  -0.011,   0.072)  ( -0.291,   0.000,   0.082)  ( 0.12,  0.01,  0.07)
163:     torsion ( -0.052,  -0.001,  -0.016)  ( -0.050,   0.000,  -0.015)  ( 0.01,  0.00,  0.00)
163:     vdw     (  0.499,  -0.000,   4.757)  (  0.499,   0.000,   4.757)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 38       (-552.554, -341.903, -476.173)  (-552.499, -341.837, -476.081)  ( 0.01,  0.02,  0.02)
163:     bond    (-551.537, -337.801, -473.399)  (-551.490, -337.743, -473.318)  ( 0.01,  0.02,  0.02)
163:     angle   (  0.094,  -0.043,  -0.509)  (  0.101,  -0.035,  -0.499)  ( 0.06,  0.03,  0.52)
163:     torsion ( -0.048,   0.040,  -0.034)  ( -0.046,   0.041,  -0.034)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -1.064,  -4.099,  -2.230)  ( -1.064,  -4.099,  -2.230)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 39       (-552.554, -341.903, 475.989)  (-552.499, -341.837, 476.081)  ( 0.01,  0.02,  0.02)
163:     bond    (-551.537, -337.801, 473.237)  (-551.490, -337.743, 473.318)  ( 0.01,  0.02,  0.02)
163:     angle   (  0.094,  -0.043,   0.489)  (  0.101,  -0.035,   0.499)  ( 0.06,  0.03,  0.50)
163:     torsion ( -0.048,   0.040,   0.033)  ( -0.046,   0.041,   0.034)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -1.064,  -4.099,   2.230)  ( -1.064,  -4.099,   2.230)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 40       (211.175, -129.938, 763.591)  (211.256, -129.900, 763.686)  ( 0.04,  0.03,  0.01)
163:     bond    (208.396, -131.774, 760.485)  (208.466, -131.744, 760.571)  ( 0.03,  0.02,  0.01)
163:     angle   (  0.202,  -0.114,  -0.453)  (  0.212,  -0.107,  -0.445)  ( 0.20,  0.07,  0.38)
163:     torsion (  0.042,   0.071,  -0.043)  (  0.043,   0.072,  -0.042)  ( 0.00,  0.01,  0.00)
163:     vdw     (  2.535,   1.878,   3.603)  (  2.535,   1.878,   3.603)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 41       (-476.173, -552.554, -341.903)  (-476.081, -552.499, -341.837)  ( 0.02,  0.01,  0.02)
163:     bond    (-473.399, -551.537, -337.801)  (-473.318, -551.490, -337.743)  ( 0.02,  0.01,  0.02)
163:     angle   ( -0.509,   0.094,  -0.043)  ( -0.499,   0.101,  -0.035)  ( 0.52,  0.06,  0.03)
163:     torsion ( -0.034,  -0.048,   0.040)  ( -0.034,  -0.046,   0.041)  ( 0.00,  0.01,  0.00)
162: 26       ( 11.326, -10.841, -10.424)  ( 11.351, -10.824, -10.389)  ( 0.22,  0.16,  0.33)
162:     bond    (-10.517,   8.981, -69.682)  (-10.498,   8.993, -69.658)  ( 0.18,  0.13,  0.03)
162:     angle   ( 24.194, -18.411,  33.216)  ( 24.197, -18.409,  33.227)  ( 0.01,  0.01,  0.03)
162:     torsion ( -2.207,  -3.030,  -0.271)  ( -2.206,  -3.027,  -0.271)  ( 0.08,  0.09,  0.00)
162:     oop     ( -0.486,  -0.621,  -0.019)  ( -0.485,  -0.620,  -0.019)  ( 0.01,  0.02,  0.00)
162:     vdw     (  0.550,   1.323,  26.631)  (  0.550,   1.323,  26.631)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.207,   0.917,  -0.300)  ( -0.207,   0.917,  -0.300)  ( 0.00,  0.00,  0.00)
162: 27       (  2.749,   1.070,   9.025)  (  2.757,   1.075,   9.033)  ( 0.26,  0.44,  0.09)
162:     bond    (  3.982,  -2.885,   4.072)  (  3.988,  -2.882,   4.078)  ( 0.14,  0.10,  0.14)
162:     angle   ( -7.527,   5.758,  11.429)  ( -7.527,   5.758,  11.431)  ( 0.01,  0.01,  0.02)
162:     torsion (  4.283,   5.791,  -0.095)  (  4.284,   5.792,  -0.095)  ( 0.01,  0.02,  0.00)
162:     oop     (  0.007,   0.010,  -0.000)  (  0.007,   0.010,  -0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.020, -10.163,  -7.420)  (  5.020, -10.163,  -7.420)  ( 0.00,  0.00,  0.00)
162:     electro ( -3.016,   2.559,   1.039)  ( -3.016,   2.559,   1.039)  ( 0.00,  0.00,  0.00)
162: 28       ( -1.597,   3.334,   2.891)  ( -1.590,   3.339,   2.898)  ( 0.44,  0.15,  0.26)
162:     bond    ( -1.478,   1.180,  -1.445)  ( -1.473,   1.184,  -1.440)  ( 0.38,  0.30,  0.37)
162:     angle   ( -3.422,   2.568,   5.608)  ( -3.421,   2.569,   5.610)  ( 0.02,  0.02,  0.04)
162:     torsion (  0.962,   1.225,   0.023)  (  0.962,   1.226,   0.023)  ( 0.05,  0.07,  0.00)
162:     oop     (  0.025,   0.031,   0.001)  (  0.025,   0.031,   0.001)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.500,  -1.901,  -1.857)  (  2.500,  -1.901,  -1.857)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.183,   0.230,   0.561)  ( -0.183,   0.230,   0.561)  ( 0.00,  0.00,  0.00)
162: 29       ( -8.733,  10.082,  10.040)  ( -8.731,  10.083,  10.053)  ( 0.02,  0.01,  0.14)
162:     bond    (  0.030,  -0.009,  -0.395)  (  0.030,  -0.009,  -0.381)  ( 0.00,  0.00,  0.53)
162:     angle   (-24.364,  18.884,  -2.337)  (-24.363,  18.885,  -2.337)  ( 0.00,  0.00,  0.00)
162:     torsion (  2.811,   3.678,   0.138)  (  2.811,   3.678,   0.138)  ( 0.01,  0.01,  0.00)
162:     oop     (  0.174,   0.219,   0.009)  (  0.174,   0.219,   0.009)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.058, -12.723,  12.965)  ( 13.058, -12.723,  12.965)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.441,   0.033,  -0.340)  ( -0.441,   0.033,  -0.340)  ( 0.00,  0.00,  0.00)
162: 30       ( -0.964,  -2.347,   0.145)  ( -0.961,  -2.344,   0.159)  ( 0.28,  0.10,  0.21)
162:     bond    ( -0.121,   0.081,   1.060)  ( -0.121,   0.082,   1.075)  ( 0.00,  0.00,  1.33)
162:     angle   (  0.934,  -0.710,   0.159)  (  0.936,  -0.709,   0.159)  ( 0.20,  0.09,  0.00)
162:     torsion ( -1.521,  -2.022,  -0.018)  ( -1.520,  -2.021,  -0.018)  ( 0.03,  0.04,  0.00)
162:     oop     (  0.048,   0.063,   0.001)  (  0.048,   0.063,   0.001)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.034,  -0.007,  -0.386)  (  0.034,  -0.007,  -0.386)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.338,   0.248,  -0.671)  ( -0.338,   0.248,  -0.671)  ( 0.00,  0.00,  0.00)
162: 31       ( -0.226,  -0.578,  -0.060)  ( -0.218,  -0.573,  -0.055)  ( 0.20,  0.33,  0.03)
162:     bond    ( -0.498,   0.367,   0.247)  ( -0.491,   0.372,   0.249)  ( 0.39,  0.17,  0.05)
162:     angle   (  0.007,  -0.017,   0.037)  (  0.008,  -0.017,   0.040)  ( 0.00,  0.00,  0.01)
162:     torsion ( -0.479,  -0.623,  -0.015)  ( -0.479,  -0.622,  -0.015)  ( 0.02,  0.05,  0.00)
162:     oop     (  0.104,   0.136,   0.002)  (  0.104,   0.136,   0.002)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.295,  -0.221,  -0.167)  (  0.295,  -0.221,  -0.167)  ( 0.00,  0.00,  0.00)
162:     electro (  0.345,  -0.221,  -0.163)  (  0.345,  -0.221,  -0.163)  ( 0.00,  0.00,  0.00)
162: 32       (-25.368, -58.445,  -4.168)  (-25.360, -58.428,  -4.159)  ( 0.03,  0.03,  0.21)
162:     bond    (-37.897, -54.343, -32.702)  (-37.889, -54.328, -32.697)  ( 0.02,  0.03,  0.02)
162:     angle   ( -0.340,   0.990,  -1.257)  ( -0.340,   0.992,  -1.254)  ( 0.01,  0.15,  0.18)
162:     torsion ( -0.962,   0.342,   0.547)  ( -0.962,   0.342,   0.547)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 19.496,  -8.517,  36.588)  ( 19.496,  -8.517,  36.589)  ( 0.00,  0.00,  0.00)
162:     electro ( -5.665,   3.083,  -7.343)  ( -5.665,   3.083,  -7.343)  ( 0.00,  0.00,  0.00)
162: 33       ( 51.394,   5.706,  80.344)  ( 51.402,   5.723,  80.362)  ( 0.02,  0.30,  0.02)
162:     bond    ( 38.088, -37.097,  84.704)  ( 38.092, -37.086,  84.720)  ( 0.01,  0.03,  0.02)
162:     angle   ( 10.741,   8.517,  10.383)  ( 10.744,   8.522,  10.385)  ( 0.03,  0.06,  0.02)
162:     torsion ( -4.202,   1.286,   2.601)  ( -4.201,   1.286,   2.601)  ( 0.02,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  7.730,  29.919, -16.938)  (  7.730,  29.920, -16.938)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.963,   3.081,  -0.405)  ( -0.963,   3.081,  -0.405)  ( 0.00,  0.00,  0.00)
162: 34       (-37.323,  42.276, -81.401)  (-37.296,  42.302, -81.374)  ( 0.07,  0.06,  0.03)
162:     bond    (  0.211,  32.125, -12.515)  (  0.230,  32.142, -12.497)  ( 0.40,  0.06,  0.14)
162:     angle   (-22.919,   5.660, -35.599)  (-22.912,   5.669, -35.591)  ( 0.03,  0.15,  0.02)
162:     torsion (  2.511,  -1.101,  -2.384)  (  2.511,  -1.101,  -2.384)  ( 0.01,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-17.970,   6.141, -32.380)  (-17.970,   6.141, -32.379)  ( 0.00,  0.00,  0.00)
162:     electro (  0.844,  -0.549,   1.478)  (  0.844,  -0.549,   1.478)  ( 0.00,  0.00,  0.00)
162: 35       (  1.767,   0.470,   1.804)  (  1.772,   0.473,   1.816)  ( 0.28,  0.12,  0.62)
162:     bond    (  1.023,   0.055,   1.841)  (  1.026,   0.055,   1.852)  ( 0.32,  0.00,  0.58)
162:     angle   (  0.771,   0.161,  -0.434)  (  0.773,   0.164,  -0.433)  ( 0.12,  0.04,  0.02)
162:     torsion ( -0.225,   0.060,   0.123)  ( -0.225,   0.060,   0.123)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.081,  -0.268,   0.349)  (  0.081,  -0.268,   0.349)  ( 0.00,  0.00,  0.00)
162:     electro (  0.117,   0.463,  -0.075)  (  0.117,   0.463,  -0.075)  ( 0.00,  0.00,  0.00)
162: 36       (  8.993,  -2.785,   7.348)  (  8.998,  -2.777,   7.354)  ( 0.05,  0.27,  0.09)
162:     bond    (  1.748,  -2.436,  -2.251)  (  1.751,  -2.430,  -2.246)  ( 0.18,  0.24,  0.23)
162:     angle   (  8.379,  -4.308,  11.192)  (  8.381,  -4.306,  11.194)  ( 0.02,  0.03,  0.01)
162:     torsion (  0.616,   0.128,   0.342)  (  0.616,   0.128,   0.342)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.850,   3.192,  -2.499)  ( -2.850,   3.192,  -2.499)  ( 0.00,  0.00,  0.00)
162:     electro (  1.100,   0.638,   0.563)  (  1.100,   0.638,   0.563)  ( 0.00,  0.00,  0.00)
162: 37       (  3.026,  -2.642,  10.074)  (  3.039,  -2.638,  10.077)  ( 0.42,  0.13,  0.03)
162:     bond    ( -2.126,  -0.638,   0.376)  ( -2.114,  -0.637,   0.376)  ( 0.59,  0.07,  0.02)
162:     angle   (  4.279,  -5.791,  14.230)  (  4.279,  -5.789,  14.232)  ( 0.01,  0.04,  0.01)
162:     torsion (  0.003,   0.027,   0.062)  (  0.003,   0.027,   0.062)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.227,   3.093,  -5.770)  (  0.227,   3.093,  -5.770)  ( 0.00,  0.00,  0.00)
162:     electro (  0.644,   0.667,   1.176)  (  0.644,   0.667,   1.176)  ( 0.00,  0.00,  0.00)
162: ok 26 # gradients 
162: ok 27 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (102.152, -13.405,  11.295)  (102.186, -13.368,  11.304)  ( 0.03,  0.27,  0.08)
162:     bond    ( 65.430,  20.212,  18.860)  ( 65.454,  20.239,  18.862)  ( 0.04,  0.13,  0.01)
162:     angle   ( 64.222, -43.610,   6.621)  ( 64.231, -43.601,   6.623)  ( 0.01,  0.02,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vbb_vaz.sdf
162:     torsion (  2.285,   1.864,  -9.889)  (  2.285,   1.864,  -9.885)  ( 0.01,  0.01,  0.04)
162:     oop     (  0.189,   0.204,  -0.875)  (  0.189,   0.204,  -0.875)  ( 0.00,  0.00,  0.04)
162:     vdw     (-29.752,   8.101,  -3.444)  (-29.752,   8.101,  -3.444)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.221,  -0.175,   0.022)  ( -0.221,  -0.175,   0.022)  ( 0.00,  0.00,  0.00)
162:  2       (-25.215,  10.780,  89.099)  (-25.178,  10.817,  89.109)  ( 0.15,  0.34,  0.01)
162:     bond    ( 34.767, -49.738,   0.175)  ( 34.796, -49.714,   0.179)  ( 0.08,  0.05,  0.05)
162:     angle   (-51.090,  50.603,  44.964)  (-51.083,  50.614,  44.966)  ( 0.02,  0.02,  0.00)
162:     torsion ( -1.548,  -4.298,  27.297)  ( -1.548,  -4.297,  27.301)  ( 0.01,  0.00,  0.02)
162:     oop     ( -0.242,  -0.222,   0.947)  ( -0.242,  -0.222,   0.947)  ( 0.00,  0.00,  0.01)
162:     vdw     ( -7.740,  18.047,  15.318)  ( -7.740,  18.048,  15.318)  ( 0.00,  0.01,  0.00)
162:     electro (  0.639,  -3.612,   0.399)  (  0.639,  -3.612,   0.399)  ( 0.00,  0.00,  0.00)
162:  3       (-83.042, -36.318, -41.768)  (-83.007, -36.282, -41.759)  ( 0.04,  0.10,  0.02)
162:     bond    (-76.007, -41.054, -29.725)  (-75.982, -41.028, -29.723)  ( 0.03,  0.07,  0.01)
162:     angle   (-38.446, -15.726,  -3.780)  (-38.436, -15.717,  -3.778)  ( 0.02,  0.06,  0.06)
162:     torsion (  5.065,   4.006, -19.830)  (  5.065,   4.006, -19.826)  ( 0.01,  0.00,  0.02)
162:     oop     (  0.501,   0.462,  -1.986)  (  0.501,   0.462,  -1.986)  ( 0.00,  0.00,  0.02)
162:     vdw     ( 25.385,  16.189,  13.419)  ( 25.385,  16.190,  13.419)  ( 0.00,  0.00,  0.00)
162:     electro (  0.460,  -0.195,   0.134)  (  0.460,  -0.195,   0.134)  ( 0.00,  0.00,  0.00)
162:  4       (-42.844, -11.172, -19.259)  (-42.811, -11.135, -19.250)  ( 0.08,  0.33,  0.05)
162:     bond    (-90.014,  22.518, -18.593)  (-89.992,  22.547, -18.589)  ( 0.02,  0.13,  0.02)
162:     angle   ( 16.795, -23.416,  -0.140)  ( 16.805, -23.409,  -0.139)  ( 0.06,  0.03,  0.02)
162:     torsion (  2.668,   4.258,  -3.869)  (  2.669,   4.258,  -3.865)  ( 0.01,  0.01,  0.10)
162:     oop     ( -0.169,  -0.157,   0.678)  ( -0.169,  -0.157,   0.678)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 26.874, -14.207,   2.581)  ( 26.875, -14.207,   2.581)  ( 0.00,  0.00,  0.00)
162:     electro (  1.002,  -0.167,   0.084)  (  1.002,  -0.167,   0.084)  ( 0.00,  0.00,  0.00)
162:  5       ( -1.994,  38.051,  22.985)  ( -1.964,  38.071,  22.992)  ( 1.50,  0.05,  0.03)
162:     bond    ( 11.228,  60.887,  19.043)  ( 11.255,  60.898,  19.046)  ( 0.25,  0.02,  0.02)
162:     angle   ( -4.676,   9.306,   0.092)  ( -4.674,   9.314,   0.093)  ( 0.04,  0.09,  0.00)
162:     torsion ( -3.291,  -3.459,  13.086)  ( -3.290,  -3.459,  13.089)  ( 0.01,  0.01,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -5.357, -25.900,  -8.663)  ( -5.357, -25.899,  -8.663)  ( 0.01,  0.00,  0.00)
162:     electro (  0.102,  -2.783,  -0.572)  (  0.102,  -2.783,  -0.572)  ( 0.00,  0.00,  0.00)
162:  6       ( -4.575, -67.943, -17.081)  ( -4.541, -67.907, -17.072)  ( 0.76,  0.05,  0.05)
162:     bond    ( 45.081, -31.332,   3.011)  ( 45.106, -31.304,   3.013)  ( 0.05,  0.09,  0.08)
162:     angle   (-31.327, -14.947,  -9.606)  (-31.318, -14.939,  -9.605)  ( 0.03,  0.05,  0.01)
162:     torsion (  0.284,   0.309,  -0.353)  (  0.285,   0.309,  -0.348)  ( 0.01,  0.01,  0.17)
162:     oop     ( -0.064,  -0.069,   0.294)  ( -0.064,  -0.069,   0.294)  ( 0.00,  0.00,  0.00)
162:     vdw     (-18.405, -22.065, -10.583)  (-18.404, -22.064, -10.583)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.145,   0.160,   0.156)  ( -0.145,   0.160,   0.156)  ( 0.00,  0.00,  0.00)
162:  7       ( 36.833, -39.537,  19.970)  ( 36.859, -39.512,  19.992)  ( 0.07,  0.06,  0.11)
162:     bond    ( 32.571, -25.330,  -0.204)  ( 32.588, -25.312,  -0.188)  ( 0.05,  0.07,  0.33)
162:     angle   (  4.414,  -0.479,  25.826)  (  4.421,  -0.472,  25.832)  ( 0.18,  0.32,  0.02)
162:     torsion (  0.416,   2.210,  -1.047)  (  0.417,   2.211,  -1.046)  ( 0.00,  0.00,  0.05)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.704, -15.258,  -4.685)  ( -0.704, -15.258,  -4.685)  ( 0.00,  0.00,  0.00)
162:     electro (  0.137,  -0.680,   0.080)  (  0.137,  -0.680,   0.080)  ( 0.00,  0.00,  0.00)
162:  8       ( 21.971, -40.328, -61.277)  ( 21.978, -40.307, -61.265)  ( 0.03,  0.05,  0.02)
162:     bond    ( -5.929, -10.019,  18.365)  ( -5.928, -10.000,  18.373)  ( 0.02,  0.19,  0.05)
162:     angle   ( 46.107, -45.206, -72.265)  ( 46.112, -45.204, -72.261)  ( 0.01,  0.00,  0.00)
162:     torsion ( -8.013,  -0.359,  -6.006)  ( -8.014,  -0.359,  -6.005)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -8.589,  14.436,  -2.931)  ( -8.588,  14.436,  -2.931)  ( 0.01,  0.00,  0.00)
162:     electro ( -1.604,   0.820,   1.559)  ( -1.604,   0.820,   1.559)  ( 0.00,  0.00,  0.00)
162:  9       ( -8.675, 118.199, -17.422)  ( -8.650, 118.226, -17.396)  ( 0.29,  0.02,  0.15)
162:     bond    (  8.295,  10.899, -26.302)  (  8.313,  10.916, -26.283)  ( 0.22,  0.16,  0.07)
162:     angle   (-17.304,  94.705,  14.018)  (-17.297,  94.714,  14.026)  ( 0.04,  0.01,  0.06)
162:     torsion (  3.994,  -0.046,   1.165)  (  3.994,  -0.046,   1.165)  ( 0.01,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.911,  12.378,  -5.954)  ( -3.910,  12.379,  -5.954)  ( 0.00,  0.00,  0.00)
162:     electro (  0.250,   0.263,  -0.349)  (  0.250,   0.263,  -0.349)  ( 0.00,  0.00,  0.00)
162: 10       ( 58.847,  35.904,  35.967)  ( 58.875,  35.931,  35.993)  ( 0.05,  0.08,  0.07)
162:     bond    ( 21.967,  25.002,   8.944)  ( 21.986,  25.020,   8.963)  ( 0.08,  0.07,  0.21)
162:     angle   ( 24.422,   6.592,  14.649)  ( 24.431,   6.601,  14.655)  ( 0.03,  0.13,  0.04)
162:     torsion ( -1.003,  -0.914,   4.217)  ( -1.003,  -0.914,   4.217)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.150,  -0.150,   0.657)  ( -0.150,  -0.150,   0.657)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.392,   5.370,   7.463)  ( 13.393,   5.371,   7.463)  ( 0.00,  0.01,  0.00)
162:     electro (  0.218,   0.004,   0.037)  (  0.218,   0.004,   0.037)  ( 0.00,  0.00,  0.00)
162: 11       (-73.816,  15.491,  -8.358)  (-73.788,  15.518,  -8.332)  ( 0.04,  0.18,  0.31)
162:     bond    (-49.401,  16.876,  -5.239)  (-49.382,  16.894,  -5.220)  ( 0.04,  0.11,  0.36)
162:     angle   (-11.770,   5.854,   2.961)  (-11.762,   5.863,   2.968)  ( 0.07,  0.15,  0.22)
162:     torsion (  0.420,   0.413,  -1.922)  (  0.420,   0.413,  -1.921)  ( 0.00,  0.00,  0.04)
162:     oop     ( -0.065,  -0.067,   0.286)  ( -0.065,  -0.067,   0.286)  ( 0.00,  0.00,  0.00)
162:     vdw     (-12.585,  -7.315,  -3.895)  (-12.585,  -7.314,  -3.895)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.415,  -0.270,  -0.549)  ( -0.415,  -0.270,  -0.549)  ( 0.00,  0.00,  0.00)
162: 12       (-206.624, -89.261,  -8.571)  (-206.581, -89.223,  -8.564)  ( 0.02,  0.04,  0.08)
162:     bond    (-70.340,  34.087, -12.502)  (-70.305,  34.112, -12.501)  ( 0.05,  0.07,  0.01)
162:     angle   (-122.367, -156.953,   9.517)  (-122.358, -156.940,   9.516)  ( 0.01,  0.01,  0.00)
162:     torsion ( -0.121,   0.153,   0.978)  ( -0.121,   0.154,   0.984)  ( 0.00,  0.00,  0.58)
162:     oop     (  0.003,  -0.005,  -0.029)  (  0.003,  -0.005,  -0.029)  ( 0.00,  0.00,  0.00)
162:     vdw     (-13.551,  32.310,  -6.205)  (-13.551,  32.310,  -6.205)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.249,   1.146,  -0.329)  ( -0.249,   1.146,  -0.329)  ( 0.00,  0.00,  0.00)
162: 13       (-31.232, -39.660,   2.568)  (-31.196, -39.624,   2.575)  ( 0.12,  0.09,  0.29)
162:     bond    ( 14.492, -68.239,  12.073)  ( 14.520, -68.213,  12.074)  ( 0.19,  0.04,  0.01)
162:     angle   (-55.628,  15.059,  -8.063)  (-55.620,  15.068,  -8.063)  ( 0.02,  0.06,  0.00)
162:     torsion (  0.060,  -0.095,  -0.580)  (  0.060,  -0.095,  -0.574)  ( 0.00,  0.00,  0.34)
162:     oop     ( -0.011,   0.016,   0.103)  ( -0.011,   0.016,   0.104)  ( 0.00,  0.00,  0.01)
162:     vdw     ( 10.146,  13.486,  -0.949)  ( 10.146,  13.486,  -0.949)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.291,   0.114,  -0.015)  ( -0.291,   0.114,  -0.015)  ( 0.00,  0.00,  0.00)
162: 14       ( 16.764,  -3.594,   1.930)  ( 16.799,  -3.556,   1.938)  ( 0.21,  1.04,  0.42)
162:     bond    (-72.072, -22.005,  -4.451)  (-72.048, -21.975,  -4.449)  ( 0.03,  0.14,  0.04)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vbd_v10.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vbp_vb1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vc2_180.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vce_tc7.sdf
162:     angle   ( 55.376,  21.622,   2.672)  ( 55.386,  21.630,   2.672)  ( 0.02,  0.03,  0.01)
162:     torsion (  0.028,  -0.040,  -0.269)  (  0.028,  -0.040,  -0.263)  ( 0.00,  0.00,  0.15)
162:     oop     (  0.008,  -0.012,  -0.076)  (  0.008,  -0.012,  -0.075)  ( 0.00,  0.00,  0.01)
162:     vdw     ( 33.453,  -3.053,   4.002)  ( 33.454,  -3.053,   4.002)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.029,  -0.106,   0.051)  ( -0.029,  -0.106,   0.051)  ( 0.00,  0.00,  0.00)
162: 15       (  8.467, -15.615,   2.941)  (  8.505, -15.580,   2.949)  ( 0.44,  0.22,  0.27)
162:     bond    ( -2.650,  74.579, -11.566)  ( -2.621,  74.604, -11.565)  ( 1.11,  0.03,  0.01)
162:     angle   ( -2.162, -58.460,   8.600)  ( -2.154, -58.451,   8.601)  ( 0.36,  0.02,  0.00)
162:     torsion (  0.050,  -0.070,  -0.477)  (  0.050,  -0.070,  -0.471)  ( 0.00,  0.00,  0.26)
162:     oop     ( -0.005,   0.008,   0.050)  ( -0.005,   0.008,   0.051)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 12.804, -31.465,   6.212)  ( 12.805, -31.464,   6.211)  ( 0.00,  0.00,  0.00)
162:     electro (  0.430,  -0.207,   0.121)  (  0.430,  -0.207,   0.121)  ( 0.00,  0.00,  0.00)
162: 16       ( 63.763,  54.797,  -0.993)  ( 63.799,  54.833,  -0.985)  ( 0.06,  0.06,  0.79)
162:     bond    ( 71.764,  10.866,   5.920)  ( 71.791,  10.892,   5.922)  ( 0.04,  0.24,  0.02)
162:     angle   (  1.899,  57.441,  -7.724)  (  1.908,  57.450,  -7.724)  ( 0.47,  0.02,  0.00)
162:     torsion (  0.025,  -0.072,  -0.434)  (  0.025,  -0.072,  -0.428)  ( 0.00,  0.00,  0.26)
162:     oop     ( -0.014,   0.020,   0.131)  ( -0.014,   0.020,   0.131)  ( 0.00,  0.00,  0.01)
162:     vdw     ( -9.891, -13.625,   1.091)  ( -9.891, -13.625,   1.091)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.021,   0.167,   0.022)  ( -0.021,   0.167,   0.022)  ( 0.00,  0.00,  0.00)
162: 17       (-104.398, 269.781, -48.554)  (-104.358, 269.821, -48.545)  ( 0.04,  0.01,  0.02)
162:     bond    (-121.876,  77.612, -22.958)  (-121.848,  77.645, -22.956)  ( 0.02,  0.04,  0.01)
162:     angle   ( 52.475, 188.373, -23.225)  ( 52.487, 188.380, -23.225)  ( 0.02,  0.00,  0.00)
162:     torsion ( -0.147,   0.296,   1.932)  ( -0.147,   0.296,   1.938)  ( 0.00,  0.00,  0.34)
162:     oop     (  0.005,  -0.007,  -0.048)  (  0.005,  -0.007,  -0.048)  ( 0.00,  0.00,  0.00)
162:     vdw     (-34.504,   3.961,  -4.024)  (-34.504,   3.961,  -4.024)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.351,  -0.454,  -0.231)  ( -0.351,  -0.454,  -0.231)  ( 0.00,  0.00,  0.00)
162: 18       (266.899,  64.087,  16.746)  (266.934,  64.124,  16.749)  ( 0.01,  0.06,  0.02)
162:     bond    (132.317,  -0.927,  13.697)  (132.343,  -0.898,  13.698)  ( 0.02,  2.68,  0.01)
162:     angle   (102.842, 120.385,  -6.104)  (102.851, 120.393,  -6.104)  ( 0.01,  0.01,  0.01)
162:     torsion ( -0.378,   0.601,   4.209)  ( -0.378,   0.601,   4.211)  ( 0.00,  0.00,  0.05)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 28.720, -49.200,   2.599)  ( 28.720, -49.199,   2.599)  ( 0.00,  0.00,  0.00)
162:     electro (  3.398,  -6.773,   2.345)  (  3.398,  -6.773,   2.345)  ( 0.00,  0.00,  0.00)
162: 19       (-1538.742, 1188.788, -276.653)  (-1538.710, 1188.828, -276.640)  ( 0.00,  0.00,  0.00)
162:     bond    (-1545.879, 1191.431, -274.504)  (-1545.847, 1191.469, -274.493)  ( 0.00,  0.00,  0.00)
162:     angle   (  1.487,  -4.525,  -0.024)  (  1.487,  -4.523,  -0.023)  ( 0.01,  0.05,  0.00)
162:     torsion (  2.548,   2.036,   1.544)  (  2.548,   2.036,   1.545)  ( 0.00,  0.00,  0.07)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.143,  -0.004,  -2.932)  (  4.144,  -0.004,  -2.932)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.041,  -0.150,  -0.737)  ( -1.041,  -0.150,  -0.737)  ( 0.00,  0.00,  0.00)
162: 20       ( 86.436, 706.025, -101.088)  ( 86.458, 706.051, -101.081)  ( 0.03,  0.00,  0.01)
162:     bond    (151.196, 878.960, -118.276)  (151.217, 878.983, -118.271)  ( 0.01,  0.00,  0.00)
162:     angle   (-67.603, -173.081,  19.919)  (-67.602, -173.079,  19.919)  ( 0.00,  0.00,  0.00)
162:     torsion (  0.274,  -0.460,  -3.000)  (  0.274,  -0.460,  -2.998)  ( 0.00,  0.00,  0.06)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.533,  -0.331,  -1.224)  (  1.533,  -0.331,  -1.224)  ( 0.00,  0.00,  0.00)
162:     electro (  1.035,   0.938,   1.494)  (  1.035,   0.938,   1.494)  ( 0.00,  0.00,  0.00)
162: 21       (1495.435, -2134.121, 408.407)  (1495.458, -2134.091, 408.423)  ( 0.00,  0.00,  0.00)
162:     bond    (1489.384, -2120.756, 422.184)  (1489.406, -2120.728, 422.199)  ( 0.00,  0.00,  0.00)
162:     angle   (  4.342,  -5.879, -12.450)  (  4.342,  -5.877, -12.449)  ( 0.01,  0.02,  0.01)
162:     torsion (  1.876,  -6.333,   0.144)  (  1.876,  -6.333,   0.145)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.735,  -1.231,  -1.506)  (  2.735,  -1.231,  -1.506)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.902,   0.078,   0.035)  ( -2.902,   0.078,   0.035)  ( 0.00,  0.00,  0.00)
162: 22       (-51.923,  27.002,   1.657)  (-51.916,  27.014,   1.659)  ( 0.01,  0.05,  0.06)
162:     bond    (-20.900, -26.742,  -4.766)  (-20.893, -26.730,  -4.766)  ( 0.03,  0.04,  0.01)
162:     angle   ( -5.057,   1.912,  11.443)  ( -5.057,   1.912,  11.444)  ( 0.00,  0.00,  0.01)
162:     torsion ( -3.586,   3.178,  -2.103)  ( -3.586,   3.178,  -2.103)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-31.069,  49.001,  -3.748)  (-31.068,  49.002,  -3.748)  ( 0.00,  0.00,  0.00)
162:     electro (  8.688,  -0.348,   0.831)  (  8.688,  -0.348,   0.831)  ( 0.00,  0.00,  0.00)
162: 23       ( -3.878,   2.588,  -1.893)  ( -3.870,   2.596,  -1.891)  ( 0.23,  0.31,  0.13)
162:     bond    ( -0.574,  -0.525,  -0.252)  ( -0.566,  -0.519,  -0.250)  ( 0.40,  0.31,  0.03)
162:     angle   ( -5.635,   6.083,   0.123)  ( -5.633,   6.085,   0.123)  ( 0.03,  0.03,  0.00)
162:     torsion (  0.329,   0.326,  -1.421)  (  0.329,   0.326,  -1.420)  ( 0.00,  0.00,  0.07)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.425,  -3.472,  -0.465)  (  2.425,  -3.472,  -0.465)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.424,   0.176,   0.122)  ( -0.424,   0.176,   0.122)  ( 0.00,  0.00,  0.00)
162: 24       (  7.995,   5.188,  -8.011)  (  7.998,   5.202,  -8.008)  ( 0.04,  0.26,  0.03)
162:     bond    (  1.778,   9.862,  -1.175)  (  1.779,   9.875,  -1.175)  ( 0.03,  0.14,  0.02)
162:     angle   (  5.650,  -2.229, -10.182)  (  5.652,  -2.229, -10.180)  ( 0.04,  0.01,  0.02)
162:     torsion ( -3.745,   0.362,  -2.628)  ( -3.745,   0.362,  -2.628)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.871,  -2.924,   6.832)  (  3.871,  -2.924,   6.832)  ( 0.01,  0.00,  0.00)
162:     electro (  0.441,   0.118,  -0.859)  (  0.441,   0.118,  -0.859)  ( 0.00,  0.00,  0.00)
162: 25       (  3.805,   6.261,  -9.494)  (  3.810,   6.265,  -9.483)  ( 0.15,  0.06,  0.11)
162:     bond    ( -0.049,  -0.029,  -0.085)  ( -0.046,  -0.027,  -0.075)  ( 0.02,  0.00,  0.08)
162:     angle   ( -0.551,  24.710,  -8.633)  ( -0.549,  24.712,  -8.632)  ( 0.12,  0.01,  0.01)
162:     torsion (  1.574,  -4.084,   0.532)  (  1.574,  -4.084,   0.532)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.456, -13.791,  -0.063)  (  2.456, -13.791,  -0.063)  ( 0.00,  0.00,  0.00)
162:     electro (  0.375,  -0.545,  -1.244)  (  0.375,  -0.545,  -1.244)  ( 0.00,  0.00,  0.00)
162: 26       ( -4.871, -15.773,  15.087)  ( -4.869, -15.767,  15.097)  ( 0.05,  0.04,  0.07)
162:     bond    ( -2.603,   5.540,   8.677)  ( -2.602,   5.544,   8.687)  ( 0.03,  0.07,  0.11)
162:     angle   ( -3.041, -32.251,  19.671)  ( -3.039, -32.249,  19.672)  ( 0.06,  0.01,  0.00)
162:     torsion ( -1.919,   0.000,  -0.575)  ( -1.919,   0.000,  -0.575)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.187,  10.150, -11.492)  (  2.187,  10.150, -11.491)  ( 0.00,  0.00,  0.00)
162:     electro (  0.505,   0.787,  -1.195)  (  0.505,   0.787,  -1.195)  ( 0.00,  0.00,  0.00)
164:     angle   (  2.624,  -2.307,   0.268)  (  2.625,  -2.307,   0.268)  ( 0.01,  0.01,  0.01)
164:     strbnd  (  0.634,  -1.241,  -0.006)  (  0.634,  -1.242,  -0.006)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.519,   0.264,  -1.620)  (  0.519,   0.264,  -1.620)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -7.437,   6.134,   1.436)  ( -7.437,   6.134,   1.436)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 24       ( -0.385,  -1.508,  -3.050)  ( -0.385,  -1.508,  -3.047)  ( 0.03,  0.04,  0.10)
164:     bond    ( -0.615,   0.404,  -1.895)  ( -0.615,   0.404,  -1.892)  ( 0.02,  0.01,  0.16)
164:     angle   (  0.873,  -1.806,  -0.669)  (  0.873,  -1.806,  -0.669)  ( 0.04,  0.03,  0.01)
164:     strbnd  (  0.665,  -1.206,   0.041)  (  0.665,  -1.206,   0.041)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.796,  -0.434,   0.166)  ( -0.796,  -0.434,   0.166)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.512,   1.534,  -0.692)  ( -0.512,   1.534,  -0.692)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: ok 20 # gradients 
164: ok 21 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vcg_s17.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vci_2gj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vcj_2eq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vcm_m11.sdf
162: 27       (  1.735,  -0.888,   2.081)  (  1.744,  -0.882,   2.084)  ( 0.55,  0.54,  0.14)
162:     bond    (  2.163,  -1.595,   0.593)  (  2.172,  -1.591,   0.594)  ( 0.40,  0.29,  0.04)
162:     angle   ( -1.176,  -1.400,   0.551)  ( -1.175,  -1.398,   0.553)  ( 0.07,  0.10,  0.13)
162:     torsion (  0.730,   1.478,   1.289)  (  0.730,   1.478,   1.289)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.029,  -0.328,   0.071)  ( -0.029,  -0.328,   0.071)  ( 0.00,  0.00,  0.00)
162:     electro (  0.046,   0.956,  -0.422)  (  0.046,   0.956,  -0.422)  ( 0.00,  0.00,  0.00)
162: 28       (  0.954,  -5.346,  -0.633)  (  0.963,  -5.340,  -0.630)  ( 0.87,  0.12,  0.21)
162:     bond    ( -2.542,  -1.968,  -0.836)  ( -2.534,  -1.963,  -0.835)  ( 0.32,  0.25,  0.08)
162:     angle   (  2.418,  -3.758,   1.489)  (  2.418,  -3.757,   1.492)  ( 0.04,  0.04,  0.16)
162:     torsion (  0.984,  -1.067,  -0.477)  (  0.984,  -1.067,  -0.477)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.212,   0.467,  -0.324)  ( -0.212,   0.467,  -0.324)  ( 0.00,  0.00,  0.00)
162:     electro (  0.307,   0.980,  -0.486)  (  0.307,   0.980,  -0.486)  ( 0.00,  0.00,  0.00)
162: 29       ( -2.244,   1.339,  -9.097)  ( -2.236,   1.344,  -9.091)  ( 0.34,  0.43,  0.06)
162:     bond    ( -1.127,   0.796,  -0.929)  ( -1.120,   0.799,  -0.925)  ( 0.57,  0.26,  0.41)
162:     angle   ( -2.303, -19.066, -13.691)  ( -2.302, -19.064, -13.690)  ( 0.05,  0.01,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.469,  18.917,   5.895)  (  1.469,  18.918,   5.895)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.283,   0.691,  -0.371)  ( -0.283,   0.691,  -0.371)  ( 0.00,  0.00,  0.00)
162: 30       (  0.093,  -0.960,   8.322)  (  0.098,  -0.956,   8.332)  ( 0.05,  0.39,  0.12)
162:     bond    ( -3.132,  -2.734,   5.362)  ( -3.129,  -2.732,   5.371)  ( 0.10,  0.08,  0.17)
162:     angle   (  3.096,   1.352,   2.493)  (  3.098,   1.354,   2.493)  ( 0.06,  0.13,  0.04)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.323,   0.789,   0.324)  (  0.323,   0.789,   0.324)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.194,  -0.368,   0.143)  ( -0.194,  -0.368,   0.143)  ( 0.00,  0.00,  0.00)
162: 31       (  1.164,  -3.174,  -9.797)  (  1.168,  -3.165,  -9.791)  ( 0.37,  0.27,  0.06)
162:     bond    (  2.928,  -6.193,  -4.835)  (  2.929,  -6.186,  -4.831)  ( 0.06,  0.12,  0.10)
162:     angle   (-14.636,   2.588, -12.191)  (-14.634,   2.589, -12.190)  ( 0.01,  0.04,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 14.644,   0.498,   7.769)  ( 14.645,   0.498,   7.769)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.773,  -0.066,  -0.540)  ( -1.773,  -0.066,  -0.540)  ( 0.00,  0.00,  0.00)
162: 32       (  8.966,   3.718,  -1.249)  (  8.973,   3.727,  -1.247)  ( 0.08,  0.24,  0.18)
162:     bond    (  5.952,   6.761,   1.241)  (  5.959,   6.769,   1.242)  ( 0.10,  0.12,  0.02)
162:     angle   (  9.189,  -7.564,  -2.877)  (  9.190,  -7.563,  -2.875)  ( 0.01,  0.01,  0.07)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.465,   3.912,   0.042)  ( -6.465,   3.912,   0.042)  ( 0.00,  0.00,  0.00)
162:     electro (  0.289,   0.609,   0.344)  (  0.289,   0.609,   0.344)  ( 0.00,  0.00,  0.00)
162: 33       (  4.858,   2.418,  -8.841)  (  4.862,   2.423,  -8.831)  ( 0.07,  0.22,  0.11)
162:     bond    (  2.541,  -4.385,  -6.934)  (  2.542,  -4.381,  -6.924)  ( 0.05,  0.08,  0.13)
162:     angle   (  6.028,   7.272,  -2.389)  (  6.030,   7.274,  -2.388)  ( 0.03,  0.02,  0.03)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -5.260,  -1.149,   0.216)  ( -5.260,  -1.149,   0.216)  ( 0.00,  0.00,  0.00)
162:     electro (  1.549,   0.680,   0.265)  (  1.549,   0.680,   0.265)  ( 0.00,  0.00,  0.00)
162: 34       ( -0.628,   0.434,   8.528)  ( -0.625,   0.440,   8.538)  ( 0.16,  0.28,  0.11)
162:     bond    (  0.251,  -3.966,   5.301)  (  0.251,  -3.961,   5.311)  ( 0.00,  0.13,  0.17)
162:     angle   (  0.170,   4.417,   3.287)  (  0.173,   4.419,   3.287)  ( 0.04,  0.03,  0.02)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.706,  -0.232,  -1.036)  ( -1.706,  -0.232,  -1.036)  ( 0.00,  0.00,  0.00)
162:     electro (  0.657,   0.214,   0.976)  (  0.657,   0.214,   0.976)  ( 0.00,  0.00,  0.00)
162: 35       (  8.248,   6.901,  -0.584)  (  8.255,   6.911,  -0.583)  ( 0.09,  0.15,  0.09)
162:     bond    (  5.924,   8.036,  -0.594)  (  5.929,   8.045,  -0.594)  ( 0.08,  0.12,  0.00)
162:     angle   (  1.921,  -1.386,   0.451)  (  1.924,  -1.384,   0.451)  ( 0.12,  0.08,  0.00)
162:     torsion (  0.038,  -0.054,  -0.357)  (  0.038,  -0.054,  -0.355)  ( 0.00,  0.00,  0.05)
162:     oop     (  0.004,  -0.006,  -0.040)  (  0.004,  -0.006,  -0.040)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.584,   0.227,   0.036)  (  0.584,   0.227,   0.036)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.224,   0.084,  -0.081)  ( -0.224,   0.084,  -0.081)  ( 0.00,  0.00,  0.00)
162: 36       (-11.234,   3.388,  -2.136)  (-11.220,   3.392,  -2.134)  ( 0.13,  0.11,  0.08)
162:     bond    (-12.281,   1.560,  -1.568)  (-12.267,   1.560,  -1.568)  ( 0.11,  0.02,  0.02)
162:     angle   (  0.218,   1.503,  -0.206)  (  0.218,   1.506,  -0.206)  ( 0.00,  0.22,  0.00)
162:     torsion (  0.040,  -0.057,  -0.375)  (  0.040,  -0.057,  -0.373)  ( 0.00,  0.00,  0.05)
162:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.007)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.374,   0.156,   0.019)  (  0.374,   0.156,   0.019)  ( 0.00,  0.00,  0.00)
162:     electro (  0.414,   0.226,  -0.013)  (  0.414,   0.226,  -0.013)  ( 0.00,  0.00,  0.00)
162: 37       ( -7.663,   9.470,  -2.292)  ( -7.657,   9.482,  -2.290)  ( 0.07,  0.13,  0.08)
162:     bond    ( -5.129,  11.363,  -2.288)  ( -5.126,  11.374,  -2.287)  ( 0.05,  0.10,  0.02)
162:     angle   ( -2.392,  -1.097,  -0.098)  ( -2.389,  -1.097,  -0.098)  ( 0.12,  0.05,  0.00)
162:     torsion ( -0.006,   0.008,   0.049)  ( -0.006,   0.008,   0.051)  ( 0.00,  0.00,  0.01)
162:     oop     (  0.004,  -0.005,  -0.036)  (  0.004,  -0.005,  -0.036)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.035,  -0.400,   0.057)  ( -0.035,  -0.400,   0.057)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.105,  -0.398,   0.023)  ( -0.105,  -0.398,   0.023)  ( 0.00,  0.00,  0.00)
162: 38       ( -7.103,  -7.577,   1.149)  ( -7.095,  -7.567,   1.150)  ( 0.10,  0.14,  0.13)
162:     bond    ( -6.172,  -8.092,   0.595)  ( -6.167,  -8.083,   0.595)  ( 0.09,  0.11,  0.00)
162:     angle   ( -0.200,   0.150,   0.009)  ( -0.197,   0.151,   0.009)  ( 0.04,  0.02,  0.00)
162:     torsion ( -0.081,   0.120,   0.791)  ( -0.081,   0.120,   0.793)  ( 0.00,  0.00,  0.11)
162:     oop     (  0.007,  -0.010,  -0.065)  (  0.007,  -0.010,  -0.065)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.021,  -0.614,   0.092)  ( -0.021,  -0.614,   0.092)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.636,   0.869,  -0.272)  ( -0.636,   0.869,  -0.272)  ( 0.00,  0.00,  0.00)
162: 39       ( 14.544, -46.771,   5.984)  ( 14.549, -46.755,   5.985)  ( 0.03,  0.03,  0.02)
162:     bond    (-11.935, -42.857,   4.341)  (-11.933, -42.841,   4.341)  ( 0.01,  0.04,  0.01)
162:     angle   ( 34.112,  -9.074,   4.235)  ( 34.116,  -9.073,   4.235)  ( 0.01,  0.00,  0.00)
162:     torsion (  0.147,  -0.213,  -1.697)  (  0.147,  -0.213,  -1.696)  ( 0.00,  0.00,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vcq_d25.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vcw_zza.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vcx_d26.sdf
163:     vdw     ( -2.230,  -1.064,  -4.099)  ( -2.230,  -1.064,  -4.099)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 42       (-763.780, 211.175, 129.863)  (-763.686, 211.256, 129.900)  ( 0.01,  0.04,  0.03)
163:     bond    (-760.656, 208.396, 131.714)  (-760.571, 208.466, 131.744)  ( 0.01,  0.03,  0.02)
163:     angle   (  0.436,   0.202,   0.101)  (  0.445,   0.212,   0.107)  ( 0.37,  0.20,  0.06)
163:     torsion (  0.042,   0.042,  -0.074)  (  0.042,   0.043,  -0.072)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -3.603,   2.535,  -1.879)  ( -3.603,   2.535,  -1.878)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 43       (475.989, -552.554, -341.903)  (476.081, -552.499, -341.837)  ( 0.02,  0.01,  0.02)
163:     bond    (473.237, -551.537, -337.801)  (473.318, -551.490, -337.743)  ( 0.02,  0.01,  0.02)
163:     angle   (  0.489,   0.094,  -0.043)  (  0.499,   0.101,  -0.035)  ( 0.50,  0.06,  0.03)
163:     torsion (  0.033,  -0.048,   0.040)  (  0.034,  -0.046,   0.041)  ( 0.00,  0.01,  0.00)
163:     vdw     (  2.230,  -1.064,  -4.099)  (  2.230,  -1.064,  -4.099)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 44       (129.863, 763.591, -211.337)  (129.900, 763.686, -211.256)  ( 0.03,  0.01,  0.04)
163:     bond    (131.714, 760.485, -208.536)  (131.744, 760.571, -208.466)  ( 0.02,  0.01,  0.03)
163:     angle   (  0.101,  -0.453,  -0.222)  (  0.107,  -0.445,  -0.212)  ( 0.06,  0.38,  0.22)
163:     torsion ( -0.074,  -0.043,  -0.044)  ( -0.072,  -0.042,  -0.043)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -1.879,   3.603,  -2.535)  ( -1.878,   3.603,  -2.535)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 45       (-129.938, 763.591, -211.337)  (-129.900, 763.686, -211.256)  ( 0.03,  0.01,  0.04)
163:     bond    (-131.774, 760.485, -208.536)  (-131.744, 760.571, -208.466)  ( 0.02,  0.01,  0.03)
163:     angle   ( -0.114,  -0.453,  -0.222)  ( -0.107,  -0.445,  -0.212)  ( 0.07,  0.38,  0.22)
163:     torsion (  0.071,  -0.043,  -0.044)  (  0.072,  -0.042,  -0.043)  ( 0.01,  0.00,  0.00)
163:     vdw     (  1.878,   3.603,  -2.535)  (  1.878,   3.603,  -2.535)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 46       (129.863, -763.780, -211.337)  (129.900, -763.686, -211.256)  ( 0.03,  0.01,  0.04)
163:     bond    (131.714, -760.656, -208.536)  (131.744, -760.571, -208.466)  ( 0.02,  0.01,  0.03)
163:     angle   (  0.101,   0.436,  -0.222)  (  0.107,   0.445,  -0.212)  ( 0.06,  0.37,  0.22)
163:     torsion ( -0.074,   0.042,  -0.044)  ( -0.072,   0.042,  -0.043)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -1.879,  -3.603,  -2.535)  ( -1.878,  -3.603,  -2.535)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 47       (-341.903, -476.173, 552.444)  (-341.837, -476.081, 552.499)  ( 0.02,  0.02,  0.01)
163:     bond    (-337.801, -473.399, 551.443)  (-337.743, -473.318, 551.490)  ( 0.02,  0.02,  0.01)
163:     angle   ( -0.043,  -0.509,  -0.107)  ( -0.035,  -0.499,  -0.101)  ( 0.03,  0.52,  0.07)
163:     torsion (  0.040,  -0.034,   0.045)  (  0.041,  -0.034,   0.046)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -4.099,  -2.230,   1.064)  ( -4.099,  -2.230,   1.064)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 48       (-423.091,  -0.090, -682.022)  (-423.070,   0.000, -681.921)  ( 0.01,  0.82,  0.01)
163:     bond    (-423.243,  -0.078, -677.189)  (-423.228,   0.000, -677.098)  ( 0.00,  0.61,  0.01)
163:     angle   ( -0.295,  -0.011,  -0.091)  ( -0.291,   0.000,  -0.082)  ( 0.12,  0.01,  0.09)
163:     torsion ( -0.052,  -0.001,   0.015)  ( -0.050,   0.000,   0.015)  ( 0.01,  0.00,  0.00)
163:     vdw     (  0.499,  -0.000,  -4.757)  (  0.499,   0.000,  -4.757)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 49       (211.175, 129.863, 763.591)  (211.256, 129.900, 763.686)  ( 0.04,  0.03,  0.01)
163:     bond    (208.396, 131.714, 760.485)  (208.466, 131.744, 760.571)  ( 0.03,  0.02,  0.01)
163:     angle   (  0.202,   0.101,  -0.453)  (  0.212,   0.107,  -0.445)  ( 0.20,  0.06,  0.38)
163:     torsion (  0.042,  -0.074,  -0.043)  (  0.043,  -0.072,  -0.042)  ( 0.00,  0.01,  0.00)
163:     vdw     (  2.535,  -1.879,   3.603)  (  2.535,  -1.878,   3.603)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 50       (-476.173, 552.444, -341.903)  (-476.081, 552.499, -341.837)  ( 0.02,  0.01,  0.02)
163:     bond    (-473.399, 551.443, -337.801)  (-473.318, 551.490, -337.743)  ( 0.02,  0.01,  0.02)
163:     angle   ( -0.509,  -0.107,  -0.043)  ( -0.499,  -0.101,  -0.035)  ( 0.52,  0.07,  0.03)
163:     torsion ( -0.034,   0.045,   0.040)  ( -0.034,   0.046,   0.041)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -2.230,   1.064,  -4.099)  ( -2.230,   1.064,  -4.099)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 51       (-129.938, -763.780, -211.337)  (-129.900, -763.686, -211.256)  ( 0.03,  0.01,  0.04)
163:     bond    (-131.774, -760.656, -208.536)  (-131.744, -760.571, -208.466)  ( 0.02,  0.01,  0.03)
163:     angle   ( -0.114,   0.436,  -0.222)  ( -0.107,   0.445,  -0.212)  ( 0.07,  0.37,  0.22)
163:     torsion (  0.071,   0.042,  -0.044)  (  0.072,   0.042,  -0.043)  ( 0.01,  0.00,  0.00)
163:     vdw     (  1.878,  -3.603,  -2.535)  (  1.878,  -3.603,  -2.535)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 52       (341.770, -476.173, 552.444)  (341.837, -476.081, 552.499)  ( 0.02,  0.02,  0.01)
163:     bond    (337.686, -473.399, 551.443)  (337.743, -473.318, 551.490)  ( 0.02,  0.02,  0.01)
163:     angle   (  0.027,  -0.509,  -0.107)  (  0.035,  -0.499,  -0.101)  ( 0.02,  0.52,  0.07)
163:     torsion ( -0.041,  -0.034,   0.045)  ( -0.041,  -0.034,   0.046)  ( 0.00,  0.00,  0.01)
163:     vdw     (  4.099,  -2.230,   1.064)  (  4.099,  -2.230,   1.064)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 53       (763.591, 211.175, 129.863)  (763.686, 211.256, 129.900)  ( 0.01,  0.04,  0.03)
163:     bond    (760.485, 208.396, 131.714)  (760.571, 208.466, 131.744)  ( 0.01,  0.03,  0.02)
163:     angle   ( -0.453,   0.202,   0.101)  ( -0.445,   0.212,   0.107)  ( 0.38,  0.20,  0.06)
163:     torsion ( -0.043,   0.042,  -0.074)  ( -0.042,   0.043,  -0.072)  ( 0.00,  0.00,  0.01)
163:     vdw     (  3.603,   2.535,  -1.879)  (  3.603,   2.535,  -1.878)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 54       ( -0.090, 681.819, 423.048)  (  0.000, 681.921, 423.070)  ( 0.82,  0.01,  0.01)
163:     bond    ( -0.078, 677.006, 423.212)  (  0.000, 677.098, 423.228)  ( 0.61,  0.01,  0.00)
163:     angle   ( -0.011,   0.072,   0.287)  (  0.000,   0.082,   0.291)  ( 0.01,  0.07,  0.11)
163:     torsion ( -0.001,  -0.016,   0.048)  (  0.000,  -0.015,   0.050)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.000,   4.757,  -0.499)  ( -0.000,   4.757,  -0.499)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 55       (341.770, 475.989, 552.444)  (341.837, 476.081, 552.499)  ( 0.02,  0.02,  0.01)
163:     bond    (337.686, 473.237, 551.443)  (337.743, 473.318, 551.490)  ( 0.02,  0.02,  0.01)
163:     angle   (  0.027,   0.489,  -0.107)  (  0.035,   0.499,  -0.101)  ( 0.02,  0.50,  0.07)
163:     torsion ( -0.041,   0.033,   0.045)  ( -0.041,   0.034,   0.046)  ( 0.00,  0.00,  0.01)
163:     vdw     (  4.099,   2.230,   1.064)  (  4.099,   2.230,   1.064)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 56       (-341.903, 475.989, 552.444)  (-341.837, 476.081, 552.499)  ( 0.02,  0.02,  0.01)
163:     bond    (-337.801, 473.237, 551.443)  (-337.743, 473.318, 551.490)  ( 0.02,  0.02,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vcz_vc3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vd0_d27.sdf
162:     vdw     (  2.255,  -1.843,   0.086)  (  2.255,  -1.843,   0.086)  ( 0.00,  0.00,  0.00)
162:     electro (-10.036,   7.216,  -0.981)  (-10.036,   7.216,  -0.980)  ( 0.00,  0.00,  0.00)
162: ok 28 # gradients 
162: ok 29 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (-266.482, -479.694, -43.813)  (-266.456, -479.664, -43.790)  ( 0.01,  0.01,  0.05)
162:     bond    (-76.378, -83.328,   5.828)  (-76.359, -83.306,   5.843)  ( 0.03,  0.03,  0.27)
162:     angle   (-184.516, -391.126, -46.098)  (-184.508, -391.119, -46.091)  ( 0.00,  0.00,  0.02)
162:     torsion (  1.060,  -0.726,   1.536)  (  1.060,  -0.726,   1.536)  ( 0.02,  0.01,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.793,  -4.720,  -5.317)  ( -6.793,  -4.720,  -5.317)  ( 0.00,  0.00,  0.00)
162:     electro (  0.145,   0.206,   0.239)  (  0.145,   0.206,   0.239)  ( 0.00,  0.00,  0.00)
162:  2       (-132.059,  49.062, 150.864)  (-132.031,  49.085, 150.890)  ( 0.02,  0.05,  0.02)
162:     bond    ( -1.376,  30.055, -80.272)  ( -1.356,  30.069, -80.253)  ( 1.43,  0.04,  0.02)
162:     angle   (-124.451,  16.569, 235.148)  (-124.442,  16.579, 235.155)  ( 0.01,  0.06,  0.00)
162:     torsion ( -2.945,  -0.838,  -1.648)  ( -2.945,  -0.837,  -1.648)  ( 0.01,  0.03,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.377,   3.420,  -2.472)  ( -3.377,   3.420,  -2.472)  ( 0.00,  0.00,  0.00)
162:     electro (  0.090,  -0.145,   0.108)  (  0.090,  -0.145,   0.108)  ( 0.00,  0.00,  0.00)
162:  3       (110.160, 148.761, -292.810)  (110.190, 148.785, -292.785)  ( 0.03,  0.02,  0.01)
162:     bond    (  8.731,  23.950, -81.012)  (  8.753,  23.968, -80.997)  ( 0.25,  0.07,  0.02)
162:     angle   (101.841,  71.301, -240.322)  (101.848,  71.307, -240.312)  ( 0.01,  0.01,  0.00)
162:     torsion (  0.513,  51.059,  29.046)  (  0.513,  51.059,  29.046)  ( 0.00,  0.00,  0.00)
162:     oop     ( -2.509,   2.630,   4.705)  ( -2.509,   2.630,   4.704)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.594,  -0.021,  -5.411)  (  1.595,  -0.021,  -5.411)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.011,  -0.158,   0.186)  ( -0.011,  -0.158,   0.186)  ( 0.00,  0.00,  0.00)
162:  4       (-30.625, 274.618, 409.412)  (-30.601, 274.644, 409.441)  ( 0.08,  0.01,  0.01)
162:     bond    (-18.678,  45.805, 103.924)  (-18.662,  45.823, 103.946)  ( 0.09,  0.04,  0.02)
162:     angle   ( -9.785, 221.954, 301.672)  ( -9.776, 221.961, 301.679)  ( 0.08,  0.00,  0.00)
162:     torsion (  0.405,   0.933,  -0.441)  (  0.406,   0.934,  -0.440)  ( 0.01,  0.03,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.402,   6.262,   4.497)  ( -2.402,   6.263,   4.497)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.166,  -0.336,  -0.240)  ( -0.166,  -0.336,  -0.240)  ( 0.00,  0.00,  0.00)
162:  5       (-137.416, -531.065, -97.350)  (-137.384, -531.040, -97.333)  ( 0.02,  0.00,  0.02)
162:     bond    ( 88.506, -87.549,  -9.444)  ( 88.531, -87.530,  -9.433)  ( 0.03,  0.02,  0.12)
162:     angle   (-157.117, -341.106,  92.987)  (-157.111, -341.100,  92.994)  ( 0.00,  0.00,  0.01)
162:     torsion (-51.264, -122.036, -154.726)  (-51.263, -122.036, -154.727)  ( 0.00,  0.00,  0.00)
162:     oop     ( -1.611, -11.797, -24.093)  ( -1.610, -11.797, -24.093)  ( 0.01,  0.00,  0.00)
162:     vdw     (-15.854,  31.751,  -2.089)  (-15.853,  31.752,  -2.089)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.077,  -0.328,   0.014)  ( -0.077,  -0.328,   0.014)  ( 0.00,  0.00,  0.00)
162:  6       (245.381, 296.830,  31.668)  (245.414, 296.859,  31.682)  ( 0.01,  0.01,  0.04)
162:     bond    (-29.392, -55.954,  71.590)  (-29.364, -55.933,  71.598)  ( 0.09,  0.04,  0.01)
162:     angle   (185.102, 258.572, -102.084)  (185.107, 258.580, -102.079)  ( 0.00,  0.00,  0.00)
162:     torsion ( 62.393,  63.069,  66.961)  ( 62.393,  63.070,  66.961)  ( 0.00,  0.00,  0.00)
162:     oop     (  8.791,   9.410,  14.566)  (  8.791,   9.411,  14.567)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 18.952,  22.069, -19.310)  ( 18.952,  22.070, -19.310)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.465,  -0.337,  -0.055)  ( -0.465,  -0.337,  -0.055)  ( 0.00,  0.00,  0.00)
162:  7       (-401.813, -73.073,  28.170)  (-401.780, -73.042,  28.179)  ( 0.01,  0.04,  0.03)
162:     bond    (-149.923, -28.956,   2.127)  (-149.897, -28.932,   2.133)  ( 0.02,  0.08,  0.27)
162:     angle   (-208.356, -55.507,  -2.256)  (-208.351, -55.499,  -2.251)  ( 0.00,  0.01,  0.20)
162:     torsion (-70.028,  -4.287,  30.371)  (-70.028,  -4.286,  30.369)  ( 0.00,  0.00,  0.01)
162:     oop     (-12.729,   8.838,   8.229)  (-12.728,   8.838,   8.229)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 39.726,   6.305,  -9.508)  ( 39.727,   6.305,  -9.508)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.503,   0.533,  -0.794)  ( -0.503,   0.533,  -0.794)  ( 0.00,  0.00,  0.00)
162:  8       ( 89.558, -165.608, 378.995)  ( 89.583, -165.575, 379.011)  ( 0.03,  0.02,  0.00)
162:     bond    (-12.719, 127.733,  52.907)  (-12.701, 127.758,  52.919)  ( 0.14,  0.02,  0.02)
162:     angle   ( 59.540, -254.126, 333.740)  ( 59.549, -254.119, 333.744)  ( 0.01,  0.00,  0.00)
162:     torsion ( 16.921,   0.360, -13.615)  ( 16.921,   0.360, -13.616)  ( 0.00,  0.01,  0.01)
162:     oop     (  8.991,  -8.957,   3.518)  (  8.992,  -8.956,   3.518)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 17.205, -31.007,   3.025)  ( 17.205, -31.006,   3.025)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.381,   0.388,  -0.579)  ( -0.381,   0.388,  -0.579)  ( 0.00,  0.00,  0.00)
162:  9       (181.050, 212.936, -503.785)  (181.074, 212.952, -503.754)  ( 0.01,  0.01,  0.01)
162:     bond    ( 54.926,  21.639, -111.990)  ( 54.943,  21.649, -111.962)  ( 0.03,  0.05,  0.02)
162:     angle   (154.408, 215.364, -335.099)  (154.416, 215.371, -335.095)  ( 0.00,  0.00,  0.00)
162:     torsion (-22.776, -29.287, -77.090)  (-22.776, -29.288, -77.091)  ( 0.00,  0.00,  0.00)
162:     oop     ( 14.301,  11.997,  -6.900)  ( 14.301,  11.997,  -6.899)  ( 0.00,  0.00,  0.00)
162:     vdw     (-19.011,  -7.904,  28.441)  (-19.010,  -7.903,  28.441)  ( 0.00,  0.01,  0.00)
162:     electro ( -0.798,   1.127,  -1.148)  ( -0.798,   1.127,  -1.148)  ( 0.00,  0.00,  0.00)
162: 10       (-110.980, -89.621, 508.052)  (-110.951, -89.590, 508.066)  ( 0.03,  0.03,  0.00)
162:     bond    ( 59.114,  26.350,  -5.703)  ( 59.132,  26.376,  -5.692)  ( 0.03,  0.10,  0.19)
162:     angle   (-159.699, -148.196, 364.979)  (-159.690, -148.191, 364.982)  ( 0.01,  0.00,  0.00)
162:     torsion ( 26.353,  29.164, 110.319)  ( 26.353,  29.164, 110.319)  ( 0.00,  0.00,  0.00)
162:     oop     ( -4.165,   8.811,  20.079)  ( -4.165,   8.811,  20.079)  ( 0.00,  0.00,  0.00)
162:     vdw     (-32.950,  -5.653,  18.948)  (-32.949,  -5.652,  18.948)  ( 0.00,  0.00,  0.00)
162:     electro (  0.368,  -0.097,  -0.570)  (  0.368,  -0.097,  -0.570)  ( 0.00,  0.00,  0.00)
162: 11       ( 56.378,  -4.697, -170.713)  ( 56.403,  -4.667, -170.689)  ( 0.05,  0.64,  0.01)
162:     bond    (-90.846, -30.106,   8.396)  (-90.828, -30.087,   8.413)  ( 0.02,  0.07,  0.20)
162:     angle   (119.802,  13.861, -237.361)  (119.810,  13.871, -237.353)  ( 0.01,  0.07,  0.00)
162:     torsion ( 29.207,  14.568,  65.225)  ( 29.207,  14.568,  65.225)  ( 0.00,  0.00,  0.00)
162:     oop     ( -3.616,  -0.940,  -3.440)  ( -3.616,  -0.940,  -3.440)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.733,  -2.762,  -2.198)  (  1.733,  -2.762,  -2.198)  ( 0.00,  0.00,  0.00)
162:     electro (  0.097,   0.683,  -1.336)  (  0.097,   0.683,  -1.336)  ( 0.00,  0.00,  0.00)
162: 12       (180.244, -95.216, -388.464)  (180.269, -95.191, -388.435)  ( 0.01,  0.03,  0.01)
162:     bond    ( 50.891, -34.511, -102.084)  ( 50.909, -34.494, -102.063)  ( 0.04,  0.05,  0.02)
162:     angle   (129.592, -56.377, -281.676)  (129.599, -56.369, -281.668)  ( 0.01,  0.01,  0.00)
162:     torsion ( -0.461,   0.236,  -0.331)  ( -0.461,   0.236,  -0.331)  ( 0.01,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.263,  -4.446,  -3.428)  (  0.263,  -4.446,  -3.428)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.041,  -0.118,  -0.945)  ( -0.041,  -0.118,  -0.945)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vd1_d28.sdf
162: 13       (177.159, -749.884, 357.327)  (177.174, -749.860, 357.355)  ( 0.01,  0.00,  0.01)
162:     bond    (-44.902, -130.055, 126.312)  (-44.885, -130.041, 126.343)  ( 0.04,  0.01,  0.02)
162:     angle   (216.616, -602.738, 233.791)  (216.618, -602.728, 233.790)  ( 0.00,  0.00,  0.00)
162:     torsion (  1.742, -11.601,  -8.917)  (  1.740, -11.601,  -8.919)  ( 0.13,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.733,  -4.260,   5.522)  (  3.734,  -4.260,   5.522)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.031,  -1.230,   0.619)  ( -0.031,  -1.230,   0.619)  ( 0.00,  0.00,  0.00)
162: 14       (-556.433, 545.313, 144.224)  (-556.456, 545.339, 144.202)  ( 0.00,  0.00,  0.02)
162:     bond    ( 81.201, 143.057, -90.224)  ( 81.207, 143.080, -90.217)  ( 0.01,  0.02,  0.01)
162:     angle   (-649.254, 403.667, 216.950)  (-649.268, 403.671, 216.934)  ( 0.00,  0.00,  0.01)
162:     torsion (  7.273,   2.361,  10.183)  (  7.258,   2.361,  10.170)  ( 0.20,  0.00,  0.13)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.736,  -4.191,   9.144)  (  4.736,  -4.190,   9.144)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.389,   0.418,  -1.830)  ( -0.389,   0.418,  -1.830)  ( 0.00,  0.00,  0.00)
162: 15       ( 76.350, 389.501, -193.205)  ( 76.358, 389.506, -193.187)  ( 0.01,  0.00,  0.01)
162:     bond    (-16.374,  -6.624, -25.478)  (-16.366,  -6.622, -25.460)  ( 0.05,  0.02,  0.07)
162:     angle   (100.420, 396.337, -167.640)  (100.420, 396.341, -167.641)  ( 0.00,  0.00,  0.00)
162:     torsion ( -2.927,   5.455,   0.463)  ( -2.927,   5.455,   0.463)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.167,   0.434,  -0.320)  ( -0.167,   0.434,  -0.319)  ( 0.00,  0.00,  0.00)
162:     electro ( -4.602,  -6.102,  -0.229)  ( -4.602,  -6.102,  -0.229)  ( 0.00,  0.00,  0.00)
162: 16       ( 78.937, 133.256, -20.896)  ( 78.950, 133.259, -20.894)  ( 0.02,  0.00,  0.01)
162:     bond    ( 57.660,  -9.711,  -1.294)  ( 57.674,  -9.710,  -1.293)  ( 0.02,  0.01,  0.02)
162:     angle   ( 24.213, 146.344, -19.060)  ( 24.213, 146.346, -19.059)  ( 0.00,  0.00,  0.01)
162:     torsion (  0.031,   0.059,   0.940)  (  0.031,   0.059,   0.940)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.860,  -3.336,  -1.462)  ( -2.860,  -3.336,  -1.462)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.107,  -0.099,  -0.020)  ( -0.107,  -0.099,  -0.020)  ( 0.00,  0.00,  0.00)
162: 17       ( 96.618, 110.889, -34.524)  ( 96.621, 110.897, -34.515)  ( 0.00,  0.01,  0.03)
162:     bond    (  0.060,  35.420,  37.564)  (  0.060,  35.427,  37.571)  ( 0.00,  0.02,  0.02)
162:     angle   ( 97.288,  76.300, -72.104)  ( 97.290,  76.301, -72.103)  ( 0.00,  0.00,  0.00)
162:     torsion ( -0.377,   0.283,  -0.266)  ( -0.377,   0.283,  -0.266)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.298,  -0.992,   0.292)  ( -0.298,  -0.992,   0.292)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.055,  -0.122,  -0.010)  ( -0.055,  -0.122,  -0.010)  ( 0.00,  0.00,  0.00)
162: 18       (152.532, 125.133,  49.263)  (152.534, 125.140,  49.273)  ( 0.00,  0.01,  0.02)
162:     bond    (  1.891,  37.018, -40.293)  (  1.892,  37.025, -40.286)  ( 0.01,  0.02,  0.02)
162:     angle   (152.656,  91.410,  91.178)  (152.658,  91.411,  91.179)  ( 0.00,  0.00,  0.00)
162:     torsion (  0.516,  -0.455,  -0.394)  (  0.516,  -0.455,  -0.394)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.445,  -2.751,  -1.170)  ( -2.445,  -2.751,  -1.170)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.086,  -0.090,  -0.057)  ( -0.086,  -0.090,  -0.057)  ( 0.00,  0.00,  0.00)
162: 19       ( 33.598,  47.349,  77.603)  ( 33.602,  47.354,  77.613)  ( 0.01,  0.01,  0.01)
162:     bond    ( 19.727, -25.506,  49.933)  ( 19.729, -25.503,  49.943)  ( 0.01,  0.01,  0.02)
162:     angle   ( 16.295,  69.516,  29.060)  ( 16.297,  69.518,  29.061)  ( 0.01,  0.00,  0.00)
162:     torsion (  1.324,  -0.032,  -0.539)  (  1.324,  -0.032,  -0.539)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.715,   3.219,  -0.642)  ( -3.715,   3.219,  -0.642)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.034,   0.151,  -0.208)  ( -0.034,   0.151,  -0.208)  ( 0.00,  0.00,  0.00)
162: 20       ( 90.303,  55.220,  37.006)  ( 90.306,  55.226,  37.017)  ( 0.00,  0.01,  0.03)
162:     bond    (  0.943,  37.503,  57.728)  (  0.944,  37.507,  57.738)  ( 0.03,  0.01,  0.02)
162:     angle   ( 87.895,  16.775, -12.335)  ( 87.898,  16.776, -12.334)  ( 0.00,  0.01,  0.01)
162:     torsion (  0.010,   0.212,  -0.138)  (  0.010,   0.212,  -0.138)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.240,   0.796,  -8.184)  (  1.240,   0.796,  -8.184)  ( 0.02,  0.00,  0.00)
162:     electro (  0.215,  -0.065,  -0.065)  (  0.215,  -0.065,  -0.065)  ( 0.00,  0.00,  0.00)
162: 21       (-63.090, -43.510, -52.283)  (-63.085, -43.498, -52.281)  ( 0.01,  0.03,  0.00)
162:     bond    (-21.882, -53.796,   9.267)  (-21.880, -53.784,   9.268)  ( 0.01,  0.02,  0.01)
162:     angle   (-42.282,   6.801, -60.352)  (-42.280,   6.801, -60.350)  ( 0.01,  0.01,  0.00)
162:     torsion (  0.135,   0.242,   1.726)  (  0.135,   0.242,   1.726)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.898,   3.181,  -2.868)  (  0.899,   3.181,  -2.868)  ( 0.02,  0.00,  0.00)
162:     electro (  0.041,   0.062,  -0.056)  (  0.041,   0.062,  -0.056)  ( 0.00,  0.00,  0.00)
162: 22       (-26.831, -85.474, -162.750)  (-26.818, -85.471, -162.747)  ( 0.05,  0.00,  0.00)
162:     bond    ( 48.229, -13.904, -17.372)  ( 48.241, -13.903, -17.370)  ( 0.02,  0.01,  0.01)
162:     angle   (-75.013, -75.597, -147.824)  (-75.012, -75.596, -147.822)  ( 0.00,  0.00,  0.00)
162:     torsion (  0.039,   0.436,  -0.240)  (  0.039,   0.436,  -0.240)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.104,   3.478,   2.557)  ( -0.104,   3.478,   2.557)  ( 0.00,  0.00,  0.00)
162:     electro (  0.018,   0.113,   0.128)  (  0.018,   0.113,   0.128)  ( 0.00,  0.00,  0.00)
162: 23       ( 33.747, -52.410, -106.699)  ( 33.750, -52.404, -106.689)  ( 0.01,  0.01,  0.01)
162:     bond    (-16.946,  27.100, -50.783)  (-16.944,  27.103, -50.773)  ( 0.01,  0.01,  0.02)
162:     angle   ( 51.568, -82.556, -61.278)  ( 51.570, -82.553, -61.278)  ( 0.00,  0.00,  0.00)
162:     torsion ( -0.261,  -0.133,   0.016)  ( -0.261,  -0.133,   0.016)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.764,   3.067,   5.256)  ( -0.764,   3.067,   5.256)  ( 0.00,  0.00,  0.00)
162:     electro (  0.149,   0.111,   0.090)  (  0.149,   0.111,   0.090)  ( 0.00,  0.00,  0.00)
162: 24       ( 49.461, -53.866, -118.082)  ( 49.465, -53.854, -118.079)  ( 0.01,  0.02,  0.00)
162:     bond    (-19.199, -42.597,  -7.004)  (-19.197, -42.585,  -7.004)  ( 0.01,  0.03,  0.01)
162:     angle   ( 70.070, -12.969, -113.206)  ( 70.072, -12.969, -113.204)  ( 0.00,  0.00,  0.00)
162:     torsion (  0.095,  -0.051,   0.051)  (  0.095,  -0.051,   0.051)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.554,   1.700,   1.922)  ( -1.554,   1.700,   1.922)  ( 0.00,  0.00,  0.00)
162:     electro (  0.049,   0.051,   0.155)  (  0.049,   0.051,   0.155)  ( 0.00,  0.00,  0.00)
162: 25       (-25.952,  20.240,  -3.550)  (-25.947,  20.250,  -3.547)  ( 0.02,  0.05,  0.09)
162:     bond    (  1.906,   3.328,  -1.859)  (  1.909,   3.337,  -1.856)  ( 0.15,  0.26,  0.15)
162:     angle   (-23.590,   6.922, -11.820)  (-23.588,   6.923, -11.820)  ( 0.01,  0.01,  0.00)
162:     torsion ( -5.397,  12.560,  17.032)  ( -5.397,  12.561,  17.032)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.943,  -3.058,  -6.468)  ( -0.943,  -3.058,  -6.468)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vd4_p21.sdf
163:     angle   ( -0.043,   0.489,  -0.107)  ( -0.035,   0.499,  -0.101)  ( 0.03,  0.50,  0.07)
163:     torsion (  0.040,   0.033,   0.045)  (  0.041,   0.034,   0.046)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -4.099,   2.230,   1.064)  ( -4.099,   2.230,   1.064)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 57       (475.989, 552.444, -341.903)  (476.081, 552.499, -341.837)  ( 0.02,  0.01,  0.02)
163:     bond    (473.237, 551.443, -337.801)  (473.318, 551.490, -337.743)  ( 0.02,  0.01,  0.02)
163:     angle   (  0.489,  -0.107,  -0.043)  (  0.499,  -0.101,  -0.035)  ( 0.50,  0.07,  0.03)
163:     torsion (  0.033,   0.045,   0.040)  (  0.034,   0.046,   0.041)  ( 0.00,  0.01,  0.00)
163:     vdw     (  2.230,   1.064,  -4.099)  (  2.230,   1.064,  -4.099)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 58       (-763.780, -211.337, 129.863)  (-763.686, -211.256, 129.900)  ( 0.01,  0.04,  0.03)
163:     bond    (-760.656, -208.536, 131.714)  (-760.571, -208.466, 131.744)  ( 0.01,  0.03,  0.02)
163:     angle   (  0.436,  -0.222,   0.101)  (  0.445,  -0.212,   0.107)  ( 0.37,  0.22,  0.06)
163:     torsion (  0.042,  -0.044,  -0.074)  (  0.042,  -0.043,  -0.072)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -3.603,  -2.535,  -1.879)  ( -3.603,  -2.535,  -1.878)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 59       (763.591, -211.337, 129.863)  (763.686, -211.256, 129.900)  ( 0.01,  0.04,  0.03)
163:     bond    (760.485, -208.536, 131.714)  (760.571, -208.466, 131.744)  ( 0.01,  0.03,  0.02)
163:     angle   ( -0.453,  -0.222,   0.101)  ( -0.445,  -0.212,   0.107)  ( 0.38,  0.22,  0.06)
163:     torsion ( -0.043,  -0.044,  -0.074)  ( -0.042,  -0.043,  -0.072)  ( 0.00,  0.00,  0.01)
163:     vdw     (  3.603,  -2.535,  -1.879)  (  3.603,  -2.535,  -1.878)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 60       ( -0.090, -682.022, 423.048)  (  0.000, -681.921, 423.070)  ( 0.82,  0.01,  0.01)
163:     bond    ( -0.078, -677.189, 423.212)  (  0.000, -677.098, 423.228)  ( 0.61,  0.01,  0.00)
163:     angle   ( -0.011,  -0.091,   0.287)  (  0.000,  -0.082,   0.291)  ( 0.01,  0.09,  0.11)
163:     torsion ( -0.001,   0.015,   0.048)  (  0.000,   0.015,   0.050)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.000,  -4.757,  -0.499)  (  0.000,  -4.757,  -0.499)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 18 # gradients 
163: ok 19 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (-26.365,  -6.735,  -0.035)  (-26.271,  -6.630,  -0.032)  ( 0.36,  1.56,  0.01)
163:     bond    (-51.407, -21.524,  -0.453)  (-51.328, -21.431,  -0.453)  ( 0.15,  0.43,  0.00)
163:     angle   ( 28.516,  23.010,   2.629)  ( 28.532,  23.022,   2.628)  ( 0.05,  0.05,  0.02)
163:     torsion (  0.028,   0.027,  -2.311)  (  0.028,   0.027,  -2.306)  ( 0.00,  0.00,  0.18)
163:     vdw     ( -3.503,  -8.248,   0.099)  ( -3.503,  -8.248,   0.099)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       ( 42.577,  18.173,   0.053)  ( 42.671,  18.274,   0.057)  ( 0.22,  0.56,  0.02)
163:     bond    ( 79.259, -24.256,  -0.982)  ( 79.338, -24.166,  -0.981)  ( 0.10,  0.37,  0.03)
163:     angle   (-31.061,  47.195,   3.394)  (-31.046,  47.207,   3.394)  ( 0.05,  0.02,  0.01)
163:     torsion ( -0.034,   0.018,  -1.739)  ( -0.034,   0.018,  -1.736)  ( 0.00,  0.00,  0.20)
163:     vdw     ( -5.588,  -4.785,  -0.620)  ( -5.587,  -4.784,  -0.620)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       (1481.239, -10.907, -17.547)  (1481.306, -10.812, -17.538)  ( 0.00,  0.88,  0.05)
163:     bond    (1482.386,  49.293, -17.062)  (1482.436,  49.379, -17.056)  ( 0.00,  0.17,  0.03)
163:     angle   ( -3.766, -60.057,  -0.119)  ( -3.750, -60.047,  -0.117)  ( 0.43,  0.02,  0.02)
163:     torsion (  0.015,  -0.012,  -0.359)  (  0.015,  -0.012,  -0.357)  ( 0.00,  0.00,  0.09)
163:     vdw     (  2.605,  -0.132,  -0.008)  (  2.605,  -0.132,  -0.008)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       (218.197, 351.442,  -5.584)  (218.285, 351.514,  -5.579)  ( 0.04,  0.02,  0.09)
163:     bond    (156.798, 315.167,  -4.502)  (156.875, 315.223,  -4.500)  ( 0.05,  0.02,  0.06)
163:     angle   ( 55.844,  32.080,  -0.601)  ( 55.856,  32.094,  -0.601)  ( 0.02,  0.05,  0.00)
163:     torsion ( -0.002,  -0.005,   0.943)  ( -0.002,  -0.005,   0.946)  ( 0.00,  0.00,  0.24)
163:     vdw     (  5.556,   4.201,  -1.424)  (  5.556,   4.201,  -1.424)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (-203.363, -391.514,  -1.242)  (-203.352, -391.496,  -1.239)  ( 0.01,  0.00,  0.19)
163:     bond    (-224.009, -386.559,   5.182)  (-224.002, -386.542,   5.184)  ( 0.00,  0.00,  0.04)
163:     angle   ( -4.111,   2.380,   0.062)  ( -4.107,   2.381,   0.062)  ( 0.08,  0.05,  0.00)
163:     torsion (  0.004,   0.005,   0.542)  (  0.004,   0.005,   0.542)  ( 0.00,  0.00,  0.03)
163:     vdw     ( 24.753,  -7.340,  -7.027)  ( 24.754,  -7.340,  -7.027)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       (-745.376, 1325.888, -16.743)  (-745.286, 1325.961, -16.734)  ( 0.01,  0.01,  0.06)
163:     bond    (-680.841, 1288.888, -17.462)  (-680.761, 1288.945, -17.456)  ( 0.01,  0.00,  0.03)
163:     angle   (-62.286,  33.325,   2.422)  (-62.276,  33.341,   2.424)  ( 0.02,  0.05,  0.06)
163:     torsion ( -0.001,  -0.005,  -1.701)  ( -0.001,  -0.005,  -1.699)  ( 0.00,  0.00,  0.14)
163:     vdw     ( -2.248,   3.679,  -0.003)  ( -2.248,   3.679,  -0.003)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  7       (-379.576,  -9.468,  -4.080)  (-379.510,  -9.372,  -4.075)  ( 0.02,  1.02,  0.12)
163:     bond    (-388.385,  67.010,  -2.879)  (-388.333,  67.095,  -2.877)  ( 0.01,  0.13,  0.08)
163:     angle   (  9.372, -71.185,  -1.456)  (  9.385, -71.173,  -1.456)  ( 0.14,  0.02,  0.03)
163:     torsion ( -0.012,  -0.012,   1.120)  ( -0.012,  -0.012,   1.123)  ( 0.00,  0.00,  0.27)
163:     vdw     ( -0.551,  -5.281,  -0.866)  ( -0.550,  -5.281,  -0.866)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       (437.367, -12.590,   0.525)  (437.388, -12.583,   0.527)  ( 0.00,  0.06,  0.12)
163:     bond    (440.100,  -5.846,   2.920)  (440.121,  -5.844,   2.922)  ( 0.00,  0.03,  0.06)
163:     angle   (  0.050,   3.730,  -0.126)  (  0.050,   3.734,  -0.126)  ( 0.00,  0.12,  0.00)
163:     torsion ( -0.001,   0.001,   0.156)  ( -0.001,   0.001,   0.157)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -2.782, -10.475,  -2.426)  ( -2.782, -10.474,  -2.426)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  9       (-1298.501, -414.353, -25.601)  (-1298.426, -414.267, -25.591)  ( 0.01,  0.02,  0.04)
163:     bond    (-1389.179, -512.381, -26.576)  (-1389.117, -512.307, -26.570)  ( 0.00,  0.01,  0.02)
163:     angle   ( 90.035,  97.583,   1.312)  ( 90.048,  97.595,   1.314)  ( 0.02,  0.01,  0.15)
163:     torsion ( -0.002,   0.019,  -0.340)  ( -0.002,   0.019,  -0.338)  ( 0.00,  0.00,  0.08)
163:     vdw     (  0.645,   0.427,   0.003)  (  0.645,   0.427,   0.003)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 10       (-172.645,  75.624,   0.228)  (-172.591,  75.695,   0.232)  ( 0.03,  0.09,  0.08)
163:     bond    (-98.169,   9.837,   0.225)  (-98.126,   9.903,   0.225)  ( 0.04,  0.68,  0.01)
163:     angle   (-68.504,  69.057,  -0.619)  (-68.494,  69.061,  -0.617)  ( 0.02,  0.01,  0.11)
163:     torsion (  0.018,  -0.014,   1.257)  (  0.018,  -0.014,   1.258)  ( 0.00,  0.00,  0.09)
163:     vdw     ( -5.989,  -3.255,  -0.635)  ( -5.989,  -3.255,  -0.635)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vd5_bi8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vdm_agg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ve1_w2x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2veg_pmm.sdf
164:  1       (  0.967,   0.259,  -0.197)  (  0.972,   0.264,  -0.191)  ( 0.49,  0.14,  0.12)
164:     bond    (  0.905,   2.623,   8.120)  (  0.909,   2.627,   8.124)  ( 0.37,  0.15,  0.05)
164:     angle   (  7.385,   0.772,  -9.892)  (  7.388,   0.774,  -9.889)  ( 0.03,  0.16,  0.02)
164:     strbnd  (  0.181,   1.490,  -0.840)  (  0.180,   1.489,  -0.841)  ( 0.02,  0.06,  0.05)
164:     torsion ( -3.658,  -1.057,   2.616)  ( -3.658,  -1.057,   2.616)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.221,  -3.068,  -0.045)  ( -3.221,  -3.068,  -0.045)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.625,  -0.501,  -0.156)  ( -0.625,  -0.501,  -0.156)  ( 0.00,  0.00,  0.00)
164:  2       (  0.736,   0.034,   0.004)  (  0.742,   0.039,   0.010)  ( 0.41,  0.02,  0.00)
164:     bond    ( 11.123,  -1.351,  -2.048)  ( 11.127,  -1.347,  -2.044)  ( 0.04,  0.29,  0.21)
164:     angle   ( -8.045,   1.278,   9.737)  ( -8.043,   1.280,   9.739)  ( 0.03,  0.16,  0.02)
164:     strbnd  (  0.965,  -2.280,   1.631)  (  0.965,  -2.281,   1.630)  ( 0.07,  0.04,  0.02)
164:     torsion (  4.294,   0.736,  -3.479)  (  4.294,   0.736,  -3.478)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -7.601,   1.652,  -5.836)  ( -7.601,   1.652,  -5.836)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  3       (  0.562,   0.076,  -0.092)  (  0.566,   0.081,  -0.087)  ( 0.27,  0.04,  0.05)
164:     bond    (  6.097,  -9.677,  17.390)  (  6.101,  -9.673,  17.394)  ( 0.06,  0.04,  0.02)
164:     angle   ( -1.378,   4.252, -13.110)  ( -1.376,   4.254, -13.108)  ( 0.15,  0.05,  0.02)
164:     strbnd  (  0.257,   0.181,  -0.552)  (  0.256,   0.180,  -0.552)  ( 0.03,  0.01,  0.03)
164:     torsion ( -0.355,   2.764,   0.802)  ( -0.355,   2.764,   0.802)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -4.059,   2.557,  -4.623)  ( -4.059,   2.557,  -4.623)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  4       (  1.701,   0.453,   0.308)  (  1.706,   0.472,   0.382)  ( 0.30,  0.89,  2.27)
164:     bond    (  8.642,  10.885,  -8.146)  (  8.646,  10.889,  -8.142)  ( 0.04,  0.04,  0.05)
164:     angle   ( -7.598,  -8.113,  12.883)  ( -7.596,  -8.111,  12.884)  ( 0.03,  0.02,  0.01)
164:     strbnd  ( -1.384,   1.903,  -1.050)  ( -1.385,   1.903,  -1.050)  ( 0.08,  0.03,  0.05)
164:     torsion (  3.685,   2.177,  -4.847)  (  3.685,   2.177,  -4.846)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.002,  -0.088,  -0.446)  ( -0.002,  -0.075,  -0.377)  ( 0.00,  0.12,  3.03)
164:     vdw     ( -1.895,  -6.707,   1.430)  ( -1.894,  -6.706,   1.430)  ( 0.00,  0.00,  0.00)
164:     electro (  0.253,   0.395,   0.484)  (  0.253,   0.395,   0.484)  ( 0.00,  0.00,  0.00)
164:  5       ( -7.881,   4.561,  -0.394)  ( -7.870,   4.527,  -0.600)  ( 0.14,  0.76,  8.12)
164:     bond    (-12.705,  14.137,  -1.636)  (-12.697,  14.141,  -1.636)  ( 0.06,  0.03,  0.02)
164:     angle   (  1.253,   3.126,  -9.477)  (  1.254,   3.128,  -9.476)  ( 0.12,  0.05,  0.01)
164:     strbnd  (  1.419,  -3.117,   0.027)  (  1.419,  -3.117,   0.027)  ( 0.04,  0.02,  0.00)
164:     torsion ( -0.255,   1.581,   7.797)  ( -0.255,   1.581,   7.798)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.011,   0.244,   1.272)  ( -0.008,   0.203,   1.063)  ( 0.00,  0.98, 16.38)
164:     vdw     (  0.999, -11.742,   1.783)  (  0.999, -11.742,   1.783)  ( 0.02,  0.00,  0.00)
164:     electro (  1.419,   0.332,  -0.159)  (  1.419,   0.332,  -0.159)  ( 0.00,  0.00,  0.00)
164:  6       (  8.807,  -4.640,   1.194)  (  8.816,  -4.626,   1.216)  ( 0.11,  0.29,  1.77)
164:     bond    (  3.884,   4.853,  -0.204)  (  3.892,   4.858,  -0.204)  ( 0.19,  0.11,  0.01)
164:     angle   (  1.621,  -0.921,   2.154)  (  1.622,  -0.919,   2.155)  ( 0.08,  0.16,  0.02)
164:     strbnd  ( -1.690,   1.656,  -0.349)  ( -1.691,   1.655,  -0.349)  ( 0.04,  0.03,  0.00)
164:     torsion ( -0.062,  -0.722,  -2.668)  ( -0.062,  -0.722,  -2.667)  ( 0.00,  0.00,  0.04)
164:     oop     ( -0.011,  -0.030,  -0.074)  ( -0.010,  -0.023,  -0.055)  ( 0.00,  0.02,  0.14)
164:     vdw     (  4.938,  -9.590,   2.718)  (  4.938,  -9.589,   2.718)  ( 0.00,  0.00,  0.00)
164:     electro (  0.127,   0.114,  -0.383)  (  0.127,   0.114,  -0.383)  ( 0.00,  0.00,  0.00)
164:  7       ( -0.810,   0.444,  -0.283)  ( -0.806,   0.452,  -0.254)  ( 0.32,  0.37,  0.83)
164:     bond    (-11.282,  11.208,   0.541)  (-11.278,  11.212,   0.545)  ( 0.04,  0.03,  0.24)
164:     angle   (  9.286,  -4.053,  -3.402)  (  9.288,  -4.051,  -3.400)  ( 0.02,  0.05,  0.04)
164:     strbnd  (  0.811,  -0.072,  -0.853)  (  0.810,  -0.073,  -0.854)  ( 0.06,  0.01,  0.03)
164:     torsion ( -1.331,  -0.869,   0.696)  ( -1.331,  -0.869,   0.696)  ( 0.00,  0.00,  0.02)
164:     oop     (  0.009,  -0.020,  -0.131)  (  0.007,  -0.017,  -0.108)  ( 0.00,  0.01,  0.31)
164:     vdw     (  0.881,  -5.592,   2.703)  (  0.881,  -5.592,   2.703)  ( 0.01,  0.00,  0.00)
164:     electro (  0.815,  -0.158,   0.163)  (  0.815,  -0.158,   0.163)  ( 0.00,  0.00,  0.00)
164:  8       (  0.736,   0.178,   0.067)  (  0.740,   0.183,   0.072)  ( 0.35,  0.09,  0.04)
164:     bond    ( -1.261,  -2.729, -19.147)  ( -1.258,  -2.725, -19.143)  ( 0.27,  0.13,  0.02)
164:     angle   ( -9.942,   7.503,  26.405)  ( -9.940,   7.505,  26.407)  ( 0.02,  0.03,  0.01)
164:     strbnd  (  4.138,   2.113,   0.872)  (  4.137,   2.112,   0.871)  ( 0.02,  0.04,  0.03)
164:     torsion (  2.267,  -2.809,  -7.166)  (  2.267,  -2.809,  -7.166)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  5.533,  -3.900,  -0.897)  (  5.533,  -3.899,  -0.897)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  9       (  0.364,   0.232,  -0.008)  (  0.369,   0.237,  -0.002)  ( 0.20,  0.11,  0.00)
164:     bond    ( -6.983,  11.163,   5.799)  ( -6.980,  11.166,   5.803)  ( 0.06,  0.03,  0.07)
164:     angle   (  6.589,   0.564, -10.864)  (  6.592,   0.566, -10.862)  ( 0.04,  0.12,  0.02)
164:     strbnd  ( -4.331,  -9.696,   0.323)  ( -4.332,  -9.697,   0.323)  ( 0.02,  0.01,  0.01)
164:     torsion (  0.192,   1.536,   1.287)  (  0.192,   1.536,   1.287)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.897,  -3.334,   3.446)  (  4.897,  -3.334,   3.447)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 10       (  0.279,   0.320,   0.215)  (  0.284,   0.326,   0.221)  ( 0.13,  0.18,  0.13)
164:     bond    (  3.926,  16.947,  -8.842)  (  3.929,  16.951,  -8.838)  ( 0.09,  0.02,  0.05)
164:     angle   ( -6.642,  -8.727,   8.491)  ( -6.640,  -8.725,   8.493)  ( 0.03,  0.02,  0.02)
164:     strbnd  ( -1.913,  -4.925,   2.830)  ( -1.914,  -4.925,   2.830)  ( 0.05,  0.01,  0.02)
164:     torsion ( -1.013,  -0.173,  -1.195)  ( -1.013,  -0.173,  -1.195)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  5.922,  -2.802,  -1.070)  (  5.922,  -2.802,  -1.070)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 11       (  0.045,   0.535,   0.496)  (  0.051,   0.539,   0.502)  ( 0.03,  0.24,  0.29)
164:     bond    (-22.008,  -2.471,  -8.891)  (-22.004,  -2.468,  -8.886)  ( 0.02,  0.14,  0.05)
164:     angle   ( 15.128,   5.024,   5.636)  ( 15.130,   5.026,   5.638)  ( 0.01,  0.04,  0.03)
164:     strbnd  (  6.334,   1.549,   3.089)  (  6.333,   1.548,   3.089)  ( 0.01,  0.06,  0.02)
164:     torsion ( -1.616,   1.448,   1.166)  ( -1.616,   1.448,   1.166)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.209,  -5.015,  -0.504)  (  2.209,  -5.015,  -0.504)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 12       (  0.018,  -0.028,  -0.133)  (  0.022,  -0.023,  -0.128)  ( 0.01,  0.01,  0.07)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vek_asf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2veu_iz1.sdf
162:     vdw     (  1.851,   0.130,  -0.420)  (  1.851,   0.130,  -0.420)  ( 0.00,  0.00,  0.00)
162:     electro (  0.220,   0.357,  -0.016)  (  0.220,   0.357,  -0.016)  ( 0.00,  0.00,  0.00)
162: 26       ( 48.248, -41.655, -49.930)  ( 48.259, -41.652, -49.928)  ( 0.02,  0.01,  0.00)
162:     bond    (  9.516,   2.414,   4.595)  (  9.527,   2.415,   4.598)  ( 0.12,  0.03,  0.06)
162:     angle   ( -4.786, -23.109,  22.053)  ( -4.786, -23.107,  22.054)  ( 0.00,  0.01,  0.00)
162:     torsion ( 38.058, -14.848, -71.060)  ( 38.058, -14.848, -71.061)  ( 0.00,  0.00,  0.00)
162:     oop     (  4.587,  -5.572,  -6.578)  (  4.587,  -5.572,  -6.578)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.374,  -0.651,   0.336)  (  0.374,  -0.651,   0.336)  ( 0.00,  0.00,  0.00)
162:     electro (  0.499,   0.111,   0.724)  (  0.499,   0.111,   0.724)  ( 0.00,  0.00,  0.00)
162: 27       (-40.977,   7.509,  19.060)  (-40.974,   7.509,  19.074)  ( 0.01,  0.00,  0.07)
162:     bond    (  1.028,  -0.156,   4.309)  (  1.029,  -0.156,   4.323)  ( 0.07,  0.00,  0.32)
162:     angle   (-13.326,  32.552,   4.350)  (-13.325,  32.553,   4.350)  ( 0.01,  0.00,  0.00)
162:     torsion (-20.425, -20.126,   4.133)  (-20.425, -20.127,   4.133)  ( 0.00,  0.00,  0.00)
162:     oop     ( -8.448,  -5.700,   1.805)  ( -8.448,  -5.700,   1.805)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.589,   1.362,   3.138)  ( -0.589,   1.362,   3.138)  ( 0.00,  0.00,  0.00)
162:     electro (  0.783,  -0.423,   1.325)  (  0.783,  -0.423,   1.325)  ( 0.00,  0.00,  0.00)
162: 28       (-97.293, 158.369, -77.769)  (-97.282, 158.372, -77.764)  ( 0.01,  0.00,  0.01)
162:     bond    ( -9.367,  -1.702,   6.347)  ( -9.357,  -1.702,   6.352)  ( 0.10,  0.02,  0.07)
162:     angle   (-80.364, 143.566, -79.911)  (-80.363, 143.569, -79.911)  ( 0.00,  0.00,  0.00)
162:     torsion ( -6.084,  24.848,  -2.304)  ( -6.084,  24.848,  -2.303)  ( 0.00,  0.00,  0.01)
162:     oop     ( -2.651,  -5.664,  -5.423)  ( -2.651,  -5.664,  -5.423)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.654,  -3.117,   3.458)  (  1.654,  -3.117,   3.458)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.480,   0.438,   0.064)  ( -0.480,   0.438,   0.064)  ( 0.00,  0.00,  0.00)
162: 29       ( 46.424,  30.854,  66.418)  ( 46.435,  30.860,  66.421)  ( 0.02,  0.02,  0.00)
162:     bond    ( 61.542,  36.037,   8.889)  ( 61.552,  36.041,   8.890)  ( 0.02,  0.01,  0.01)
162:     angle   (-12.493,   3.768,  71.212)  (-12.492,   3.770,  71.214)  ( 0.01,  0.05,  0.00)
162:     torsion (  0.930,  -1.144,  -1.798)  (  0.930,  -1.144,  -1.798)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.446,  -8.200, -12.840)  ( -4.446,  -8.199, -12.840)  ( 0.00,  0.00,  0.00)
162:     electro (  0.892,   0.393,   0.955)  (  0.892,   0.393,   0.955)  ( 0.00,  0.00,  0.00)
162: 30       (-48.239,  25.591, 117.949)  (-48.237,  25.605, 117.952)  ( 0.00,  0.05,  0.00)
162:     bond    ( -6.792,  53.013,   9.932)  ( -6.792,  53.026,   9.933)  ( 0.01,  0.03,  0.01)
162:     angle   (-43.464, -26.225, 110.281)  (-43.462, -26.225, 110.283)  ( 0.00,  0.00,  0.00)
162:     torsion (  1.154,   0.032,   0.620)  (  1.154,   0.032,   0.620)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.846,  -1.353,  -3.547)  (  0.846,  -1.353,  -3.547)  ( 0.00,  0.00,  0.00)
162:     electro (  0.017,   0.124,   0.662)  (  0.017,   0.124,   0.662)  ( 0.00,  0.00,  0.00)
162: 31       (-56.565,  43.312, 101.137)  (-56.560,  43.315, 101.148)  ( 0.01,  0.01,  0.01)
162:     bond    ( 23.742, -12.645,  46.900)  ( 23.745, -12.644,  46.910)  ( 0.01,  0.01,  0.02)
162:     angle   (-81.124,  57.327,  56.513)  (-81.122,  57.329,  56.514)  ( 0.00,  0.00,  0.00)
162:     torsion ( -0.177,  -0.309,   0.007)  ( -0.177,  -0.309,   0.007)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.958,  -1.189,  -2.767)  (  0.958,  -1.189,  -2.767)  ( 0.00,  0.00,  0.00)
162:     electro (  0.037,   0.127,   0.484)  (  0.037,   0.127,   0.484)  ( 0.00,  0.00,  0.00)
162: 32       (-45.479,  41.742, 115.912)  (-45.466,  41.746, 115.915)  ( 0.03,  0.01,  0.00)
162:     bond    (-49.033, -17.444,  10.722)  (-49.021, -17.442,  10.722)  ( 0.02,  0.01,  0.01)
162:     angle   (  2.327,  59.493, 107.416)  (  2.327,  59.495, 107.418)  ( 0.01,  0.00,  0.00)
162:     torsion ( -0.160,   0.329,  -0.198)  ( -0.160,   0.329,  -0.198)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.559,  -0.627,  -2.586)  (  1.559,  -0.627,  -2.586)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.172,  -0.008,   0.558)  ( -0.172,  -0.008,   0.558)  ( 0.00,  0.00,  0.00)
162: 33       (293.648, -251.208, -276.812)  (293.638, -251.194, -276.821)  ( 0.00,  0.01,  0.00)
162:     bond    ( -6.169, -16.241,   7.214)  ( -6.167, -16.229,   7.216)  ( 0.03,  0.07,  0.03)
162:     angle   (299.894, -238.899, -280.972)  (299.888, -238.896, -280.978)  ( 0.00,  0.00,  0.00)
162:     torsion ( -4.857,  -0.334,  -4.901)  ( -4.862,  -0.334,  -4.905)  ( 0.10,  0.00,  0.10)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro (  4.779,   4.265,   1.847)  (  4.779,   4.265,   1.847)  ( 0.00,  0.00,  0.00)
162: ok 30 # gradients 
162: ok 31 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       ( -3.442, -19.470,  -1.727)  ( -3.415, -19.442,  -1.701)  ( 0.78,  0.14,  1.49)
162:     bond    (-12.046,  -1.217,  -1.927)  (-12.027,  -1.199,  -1.908)  ( 0.16,  1.52,  0.97)
162:     angle   (  7.238, -12.120,   0.945)  (  7.246, -12.112,   0.952)  ( 0.11,  0.07,  0.66)
162:     torsion (  0.582,  -6.068,  -1.073)  (  0.582,  -6.068,  -1.073)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.998,   0.178,   0.421)  (  0.998,   0.178,   0.421)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.214,  -0.242,  -0.093)  ( -0.214,  -0.242,  -0.093)  ( 0.00,  0.00,  0.00)
162:  2       (245.840, -11.757,  72.267)  (245.875, -11.718,  72.276)  ( 0.01,  0.33,  0.01)
162:     bond    ( 77.690,  69.207,  45.161)  ( 77.715,  69.238,  45.167)  ( 0.03,  0.04,  0.01)
162:     angle   (172.284, -82.905,  35.928)  (172.294, -82.898,  35.930)  ( 0.01,  0.01,  0.01)
162:     torsion (  2.384,   5.248, -10.001)  (  2.384,   5.248,  -9.999)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -7.633,  -2.172,  -2.491)  ( -7.633,  -2.172,  -2.491)  ( 0.00,  0.00,  0.00)
162:     electro (  1.115,  -1.134,   3.669)  (  1.115,  -1.134,   3.669)  ( 0.00,  0.00,  0.00)
162:  3       ( -5.078,   4.446,  -6.954)  ( -5.074,   4.459,  -6.952)  ( 0.07,  0.29,  0.03)
162:     bond    (  1.459,   4.293,  -0.351)  (  1.460,   4.305,  -0.351)  ( 0.10,  0.29,  0.00)
162:     angle   ( -2.925,   0.321,  -8.216)  ( -2.923,   0.322,  -8.214)  ( 0.07,  0.01,  0.03)
162:     torsion ( -0.484,   0.301,   1.681)  ( -0.484,   0.301,   1.681)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.960,  -0.223,  -0.119)  ( -3.960,  -0.223,  -0.119)  ( 0.00,  0.00,  0.00)
162:     electro (  0.833,  -0.247,   0.052)  (  0.833,  -0.247,   0.052)  ( 0.00,  0.00,  0.00)
162:  4       (  0.711,   2.002,  -4.913)  (  0.717,   2.008,  -4.907)  ( 0.45,  0.30,  0.13)
162:     bond    (  2.553,  -2.568,  -2.673)  (  2.558,  -2.564,  -2.668)  ( 0.18,  0.18,  0.19)
162:     angle   (  6.931,   6.816,   0.094)  (  6.933,   6.818,   0.096)  ( 0.02,  0.02,  0.01)
162:     torsion (  0.207,   1.182,  -0.937)  (  0.207,   1.182,  -0.937)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -8.964,  -2.417,  -1.160)  ( -8.963,  -2.417,  -1.160)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.017,  -1.011,  -0.237)  ( -0.017,  -1.011,  -0.237)  ( 0.00,  0.00,  0.00)
162:  5       ( -9.656,  -0.763,   3.225)  ( -9.654,  -0.760,   3.238)  ( 0.03,  0.25,  0.40)
162:     bond    (  0.268,  -0.904,   2.749)  (  0.268,  -0.902,   2.762)  ( 0.00,  0.12,  0.46)
162:     angle   ( -8.963,  -2.205,   0.150)  ( -8.960,  -2.203,   0.150)  ( 0.03,  0.08,  0.00)
162:     torsion ( -0.431,   3.040,   1.035)  ( -0.431,   3.040,   1.035)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.944,  -0.045,  -0.815)  ( -0.944,  -0.045,  -0.815)  ( 0.00,  0.00,  0.00)
162:     electro (  0.413,  -0.650,   0.106)  (  0.413,  -0.650,   0.106)  ( 0.00,  0.00,  0.00)
162:  6       (-36.959,  41.759,  10.918)  (-36.945,  41.776,  10.920)  ( 0.04,  0.04,  0.02)
162:     bond    (-35.916,  42.475,   9.669)  (-35.905,  42.491,   9.670)  ( 0.03,  0.04,  0.01)
162:     angle   ( 17.939,  12.987,   9.543)  ( 17.941,  12.988,   9.543)  ( 0.01,  0.01,  0.01)
162:     torsion ( -0.378,  -0.725,   1.780)  ( -0.378,  -0.725,   1.781)  ( 0.00,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-18.582, -23.931,  -9.878)  (-18.581, -23.931,  -9.877)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.021,  10.953,  -0.197)  ( -0.021,  10.953,  -0.197)  ( 0.00,  0.00,  0.00)
162:  7       (-199.429, 120.899, -77.246)  (-199.398, 120.930, -77.238)  ( 0.02,  0.03,  0.01)
162:     bond    ( 13.550, -89.413, -25.470)  ( 13.572, -89.390, -25.463)  ( 0.16,  0.03,  0.03)
162:     angle   (-210.716, 213.999, -68.344)  (-210.707, 214.006, -68.343)  ( 0.00,  0.00,  0.00)
162:     torsion ( -4.940,  -8.461,  21.084)  ( -4.940,  -8.461,  21.085)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  8.003,   3.819,   1.416)  (  8.003,   3.819,   1.416)  ( 0.00,  0.00,  0.00)
162:     electro ( -5.327,   0.956,  -5.932)  ( -5.327,   0.956,  -5.932)  ( 0.00,  0.00,  0.00)
162:  8       ( 17.829,  -6.420,  -8.233)  ( 17.839,  -6.411,  -8.232)  ( 0.06,  0.14,  0.02)
162:     bond    ( 11.126, -10.112,  -2.792)  ( 11.135, -10.104,  -2.792)  ( 0.08,  0.07,  0.02)
162:     angle   (  2.321,   2.490,   0.248)  (  2.323,   2.491,   0.248)  ( 0.07,  0.06,  0.02)
162:     torsion (  1.088,   3.350,  -7.788)  (  1.088,   3.350,  -7.788)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.125,  -0.148,  -0.002)  (  0.125,  -0.148,  -0.002)  ( 0.00,  0.00,  0.00)
162:     electro (  3.169,  -2.000,   2.101)  (  3.169,  -2.000,   2.101)  ( 0.00,  0.00,  0.00)
162:  9       (225.116, -321.223, 133.735)  (225.145, -321.196, 133.756)  ( 0.01,  0.01,  0.02)
162:     bond    ( -7.634, -53.638,  -8.757)  ( -7.613, -53.619,  -8.744)  ( 0.28,  0.04,  0.15)
162:     angle   (237.812, -267.792, 150.866)  (237.821, -267.785, 150.875)  ( 0.00,  0.00,  0.01)
162:     torsion ( -4.970,  -6.735, -10.679)  ( -4.970,  -6.735, -10.679)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.986,   8.543,   3.971)  (  1.986,   8.543,   3.971)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.078,  -1.601,  -1.667)  ( -2.078,  -1.601,  -1.667)  ( 0.00,  0.00,  0.00)
162: 10       ( 18.528, 116.935, -222.952)  ( 18.546, 116.955, -222.926)  ( 0.10,  0.02,  0.01)
162:     bond    (  2.883,  25.720,  65.467)  (  2.898,  25.734,  65.488)  ( 0.52,  0.05,  0.03)
162:     angle   (  6.976,  87.919, -281.200)  (  6.979,  87.924, -281.195)  ( 0.04,  0.01,  0.00)
162:     torsion ( -3.682,  -6.591, -12.371)  ( -3.682,  -6.591, -12.372)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.215,  13.749,   3.629)  ( 13.216,  13.749,   3.630)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.864,  -3.861,   1.523)  ( -0.864,  -3.861,   1.523)  ( 0.00,  0.00,  0.00)
162: 11       (-263.679, 218.198,  51.373)  (-263.650, 218.212,  51.399)  ( 0.01,  0.01,  0.05)
162:     bond    (-86.760,  50.952,  24.119)  (-86.735,  50.959,  24.136)  ( 0.03,  0.01,  0.07)
162:     angle   (-183.958, 105.187,  32.275)  (-183.954, 105.194,  32.283)  ( 0.00,  0.01,  0.03)
162:     torsion ( 11.442,  45.536, -10.233)  ( 11.442,  45.536, -10.232)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.258,   8.635,   3.973)  ( -4.258,   8.635,   3.973)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.145,   7.888,   1.239)  ( -0.145,   7.888,   1.239)  ( 0.00,  0.00,  0.00)
162: 12       ( 33.659, -29.203, -13.271)  ( 33.660, -29.198, -13.260)  ( 0.00,  0.02,  0.08)
162:     bond    ( -2.965, -10.550, -17.782)  ( -2.964, -10.546, -17.773)  ( 0.01,  0.03,  0.06)
162:     angle   ( 29.381, -16.906,   5.130)  ( 29.382, -16.904,   5.130)  ( 0.00,  0.01,  0.01)
162:     torsion (  2.468,  -2.830,   1.267)  (  2.468,  -2.830,   1.267)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.831,   3.273,  -1.575)  (  6.831,   3.273,  -1.575)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.057,  -2.191,  -0.311)  ( -2.057,  -2.191,  -0.311)  ( 0.00,  0.00,  0.00)
162: 13       ( 34.183, -87.299,  25.278)  ( 34.193, -87.289,  25.282)  ( 0.03,  0.01,  0.02)
162:     bond    ( 19.364, -72.216,  32.658)  ( 19.373, -72.208,  32.660)  ( 0.05,  0.01,  0.01)
162:     angle   ( 19.573, -26.239, -15.673)  ( 19.574, -26.237, -15.671)  ( 0.01,  0.01,  0.01)
162:     torsion ( -2.281,   5.380,  13.128)  ( -2.280,   5.380,  13.128)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.612,   3.838,  -4.037)  ( -2.611,   3.839,  -4.037)  ( 0.01,  0.00,  0.00)
162:     electro (  0.138,   1.937,  -0.798)  (  0.138,   1.937,  -0.798)  ( 0.00,  0.00,  0.00)
162: 14       (-146.962, -31.735,  70.658)  (-146.940, -31.723,  70.705)  ( 0.02,  0.04,  0.07)
162:     bond    ( 62.265,   2.720, -105.238)  ( 62.280,   2.728, -105.200)  ( 0.02,  0.27,  0.04)
162:     angle   (-199.845, -11.711, 169.340)  (-199.837, -11.707, 169.347)  ( 0.00,  0.04,  0.00)
162:     torsion ( -3.423, -15.710,   3.976)  ( -3.423, -15.710,   3.976)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -9.752,  -0.703,   4.859)  ( -9.752,  -0.703,   4.859)  ( 0.00,  0.00,  0.00)
162:     electro (  3.792,  -6.331,  -2.278)  (  3.792,  -6.331,  -2.278)  ( 0.00,  0.00,  0.00)
162: 15       ( 26.723,  -0.726, -10.858)  ( 26.726,  -0.714, -10.856)  ( 0.01,  0.94,  0.03)
162:     bond    ( -0.092,  -2.399,  -0.719)  ( -0.092,  -2.387,  -0.718)  ( 0.00,  0.53,  0.08)
162:     angle   ( 27.753,   2.469, -11.756)  ( 27.757,   2.469, -11.754)  ( 0.01,  0.01,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.584,   0.797,   0.768)  ( -2.584,   0.797,   0.768)  ( 0.00,  0.00,  0.00)
162:     electro (  1.645,  -1.594,   0.848)  (  1.645,  -1.594,   0.848)  ( 0.00,  0.00,  0.00)
162: 16       ( 62.434, -27.811,  26.947)  ( 62.438, -27.810,  26.973)  ( 0.01,  0.01,  0.10)
162:     bond    ( -3.261,  -2.027,  15.582)  ( -3.260,  -2.027,  15.608)  ( 0.03,  0.02,  0.16)
162:     angle   ( 64.819, -38.061,   8.596)  ( 64.821, -38.059,   8.596)  ( 0.00,  0.00,  0.00)
162:     torsion (  5.845,  10.205,   2.546)  (  5.845,  10.205,   2.546)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -9.040,  -0.891,   3.300)  ( -9.040,  -0.891,   3.300)  ( 0.00,  0.00,  0.00)
162:     electro (  4.070,   2.963,  -3.077)  (  4.070,   2.963,  -3.077)  ( 0.00,  0.00,  0.00)
162: 17       (-111.712, 155.037, -72.705)  (-111.687, 155.062, -72.679)  ( 0.02,  0.02,  0.03)
162:     bond    (-61.202,  38.262, -28.857)  (-61.186,  38.277, -28.840)  ( 0.03,  0.04,  0.06)
162:     angle   (-47.834, 110.585, -38.924)  (-47.825, 110.594, -38.915)  ( 0.02,  0.01,  0.02)
162:     torsion ( -2.088,   4.781,  -3.597)  ( -2.087,   4.781,  -3.597)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.438,   2.373,  -2.058)  ( -0.438,   2.373,  -2.058)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       ( -1.370, -112.984,  -1.408)  ( -1.281, -112.907,  -1.405)  ( 6.45,  0.07,  0.18)
163:     bond    ( 10.704,  61.334,   0.663)  ( 10.779,  61.399,   0.664)  ( 0.70,  0.10,  0.05)
163:     angle   (-16.150, -176.774,  -2.413)  (-16.137, -176.761,  -2.413)  ( 0.08,  0.01,  0.01)
163:     torsion ( -0.004,  -0.005,   0.241)  ( -0.004,  -0.005,   0.243)  ( 0.00,  0.00,  0.05)
163:     vdw     (  4.081,   2.460,   0.102)  (  4.081,   2.460,   0.102)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (1511.671, 514.801,  32.839)  (1511.714, 514.855,  32.892)  ( 0.00,  0.01,  0.16)
163:     bond    (1515.153, 517.997,  31.429)  (1515.184, 518.038,  31.470)  ( 0.00,  0.01,  0.13)
163:     angle   ( -2.913,  -1.712,   0.561)  ( -2.901,  -1.699,   0.572)  ( 0.43,  0.76,  0.58)
163:     torsion ( -0.009,  -0.018,   0.871)  ( -0.009,  -0.018,   0.871)  ( 0.00,  0.00,  0.03)
163:     vdw     ( -0.560,  -1.465,  -0.022)  ( -0.560,  -1.465,  -0.022)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 13       (-1597.410, -19.629,  16.286)  (-1597.368, -19.574,  16.339)  ( 0.00,  0.28,  0.32)
163:     bond    (-1606.438, -16.395,  16.722)  (-1606.408, -16.353,  16.764)  ( 0.00,  0.25,  0.25)
163:     angle   (  6.182,   1.035,  -0.764)  (  6.194,   1.048,  -0.753)  ( 0.20,  1.27,  0.80)
163:     torsion (  0.004,   0.001,   0.323)  (  0.004,   0.001,   0.323)  ( 0.00,  0.00,  0.01)
163:     vdw     (  2.842,  -4.270,   0.006)  (  2.843,  -4.270,   0.006)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 14       (767.883, -1400.424,  14.698)  (767.935, -1400.378,  14.751)  ( 0.01,  0.00,  0.36)
163:     bond    (773.726, -1413.341,  15.101)  (773.765, -1413.308,  15.143)  ( 0.01,  0.00,  0.28)
163:     angle   ( -2.491,   8.410,  -1.096)  ( -2.478,   8.422,  -1.085)  ( 0.52,  0.15,  0.96)
163:     torsion ( -0.003,   0.007,   0.696)  ( -0.003,   0.007,   0.696)  ( 0.00,  0.00,  0.02)
163:     vdw     ( -3.349,   4.500,  -0.003)  ( -3.348,   4.501,  -0.003)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 15       (  2.573,  35.827,   0.685)  (  2.579,  35.856,   0.685)  ( 0.23,  0.08,  0.03)
163:     bond    ( -0.167,  36.326,   0.800)  ( -0.167,  36.355,   0.800)  ( 0.00,  0.08,  0.01)
163:     angle   ( -1.606,   0.002,  -0.444)  ( -1.600,   0.002,  -0.444)  ( 0.35,  0.00,  0.01)
163:     torsion (  0.001,  -0.006,   0.275)  (  0.001,  -0.006,   0.276)  ( 0.00,  0.00,  0.01)
163:     vdw     (  4.345,  -0.496,   0.053)  (  4.345,  -0.496,   0.053)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 16       ( -5.358, -55.102,  -3.092)  ( -5.354, -55.074,  -3.088)  ( 0.06,  0.05,  0.13)
163:     bond    ( -0.905, -54.774,  -2.312)  ( -0.905, -54.746,  -2.313)  ( 0.02,  0.05,  0.01)
163:     angle   (  2.713,  -0.017,  -0.653)  (  2.717,  -0.017,  -0.649)  ( 0.12,  0.00,  0.27)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -7.166,  -0.310,  -0.127)  ( -7.166,  -0.310,  -0.127)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 17       (-23.805,  13.685,  42.227)  (-23.797,  13.691,  42.247)  ( 0.04,  0.04,  0.05)
163:     bond    (-23.472,  15.259,  41.413)  (-23.466,  15.262,  41.432)  ( 0.03,  0.02,  0.05)
163:     angle   (  0.354,  -0.124,   0.245)  (  0.356,  -0.120,   0.246)  ( 0.09,  0.04,  0.03)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.687,  -1.450,   0.570)  ( -0.687,  -1.450,   0.570)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 18       (-26.013,  17.980, -45.828)  (-26.004,  17.987, -45.809)  ( 0.03,  0.04,  0.04)
163:     bond    (-25.679,  20.707, -44.275)  (-25.673,  20.711, -44.257)  ( 0.02,  0.02,  0.04)
163:     angle   (  0.650,  -0.562,  -0.642)  (  0.653,  -0.559,  -0.640)  ( 0.17,  0.19,  0.09)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.984,  -2.165,  -0.912)  ( -0.984,  -2.165,  -0.912)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 19       ( 18.649,  13.540, -51.805)  ( 18.654,  13.545, -51.781)  ( 0.03,  0.04,  0.05)
163:     bond    ( 17.904,  14.252, -51.223)  ( 17.907,  14.254, -51.200)  ( 0.01,  0.01,  0.05)
163:     angle   ( -0.297,   0.111,  -0.072)  ( -0.295,   0.115,  -0.071)  ( 0.09,  0.04,  0.00)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (  1.042,  -0.823,  -0.511)  (  1.042,  -0.823,  -0.511)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 20       ( 26.856, -48.497,  14.020)  ( 26.862, -48.474,  14.025)  ( 0.02,  0.05,  0.04)
163:     bond    ( 19.705, -50.862,  13.120)  ( 19.708, -50.840,  13.122)  ( 0.02,  0.04,  0.01)
163:     angle   ( -4.217,  -1.717,  -0.326)  ( -4.214,  -1.717,  -0.322)  ( 0.07,  0.04,  0.13)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 11.368,   4.083,   1.226)  ( 11.368,   4.083,   1.226)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 21       ( 26.291,  34.034,  41.064)  ( 26.297,  34.049,  41.078)  ( 0.02,  0.04,  0.04)
163:     bond    ( 19.193,  38.169,  38.169)  ( 19.196,  38.181,  38.181)  ( 0.01,  0.03,  0.03)
163:     angle   ( -1.707,   1.023,  -0.171)  ( -1.704,   1.026,  -0.169)  ( 0.17,  0.22,  0.04)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (  8.805,  -5.158,   3.066)  (  8.806,  -5.158,   3.066)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 22       (-45.738,   8.622,  38.333)  (-45.719,   8.625,  38.345)  ( 0.04,  0.04,  0.03)
163:     bond    (-45.865,  -2.697,  34.786)  (-45.848,  -2.697,  34.796)  ( 0.04,  0.01,  0.03)
163:     angle   ( -0.123,  -3.161,  -0.408)  ( -0.122,  -3.158,  -0.406)  ( 0.02,  0.11,  0.11)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.251,  14.480,   3.955)  (  0.251,  14.480,   3.955)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 23       (  7.676,  59.393,  23.469)  (  7.690,  59.410,  23.476)  ( 0.17,  0.03,  0.03)
163:     bond    ( 35.496,  42.507,  18.313)  ( 35.506,  42.521,  18.315)  ( 0.03,  0.03,  0.01)
163:     angle   (  5.136,  -3.971,  -0.748)  (  5.138,  -3.970,  -0.744)  ( 0.04,  0.04,  0.28)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (-32.955,  20.858,   5.905)  (-32.954,  20.858,   5.905)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 24       (-16.429,  12.100, -51.807)  (-16.423,  12.105, -51.782)  ( 0.04,  0.04,  0.05)
163:     bond    (-16.682,  10.967, -51.378)  (-16.680,  10.968, -51.354)  ( 0.01,  0.01,  0.05)
163:     angle   (  0.190,   0.171,  -0.026)  (  0.194,   0.174,  -0.026)  ( 0.07,  0.06,  0.00)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.063,   0.962,  -0.403)  (  0.063,   0.962,  -0.403)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 20 # gradients 
163: ok 21 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (-43.157, -57.858, -15.760)  (-43.113, -57.813, -15.714)  ( 0.10,  0.08,  0.29)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vev_iz2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vew_iz3.sdf
162:     electro ( -0.150,  -0.964,   0.730)  ( -0.150,  -0.964,   0.730)  ( 0.00,  0.00,  0.00)
162: 18       ( 13.365, -88.460, -15.407)  ( 13.393, -88.432, -15.379)  ( 0.21,  0.03,  0.18)
162:     bond    ( 23.033, -22.454,  19.510)  ( 23.051, -22.435,  19.528)  ( 0.08,  0.08,  0.10)
162:     angle   ( -6.494, -32.659, -49.288)  ( -6.485, -32.649, -49.279)  ( 0.14,  0.03,  0.02)
162:     torsion ( -0.656, -30.683,  14.655)  ( -0.656, -30.683,  14.655)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.375,  -3.297,  -0.779)  (  2.376,  -3.297,  -0.779)  ( 0.01,  0.00,  0.01)
162:     electro ( -4.893,   0.633,   0.495)  ( -4.893,   0.633,   0.495)  ( 0.00,  0.00,  0.00)
162: 19       ( 47.130, -64.556, -23.523)  ( 47.157, -64.529, -23.496)  ( 0.06,  0.04,  0.11)
162:     bond    (  6.702,  -5.903, -10.312)  (  6.720,  -5.885, -10.294)  ( 0.28,  0.31,  0.18)
162:     angle   ( 35.929, -62.760,   8.488)  ( 35.937, -62.752,   8.496)  ( 0.02,  0.01,  0.09)
162:     torsion ( -4.275,  -1.779,  -0.880)  ( -4.275,  -1.779,  -0.880)  ( 0.00,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  8.580,   4.470, -19.699)  (  8.580,   4.470, -19.698)  ( 0.00,  0.00,  0.00)
162:     electro (  0.194,   1.417,  -1.119)  (  0.194,   1.417,  -1.119)  ( 0.00,  0.00,  0.00)
162: 20       ( 66.259,   1.063,  44.559)  ( 66.286,   1.090,  44.586)  ( 0.04,  2.51,  0.06)
162:     bond    ( 16.923,  12.912,  10.627)  ( 16.941,  12.930,  10.646)  ( 0.11,  0.14,  0.17)
162:     angle   ( 41.049, -17.605,  36.677)  ( 41.058, -17.597,  36.685)  ( 0.02,  0.04,  0.02)
162:     torsion (  4.433,  -3.963,  -2.662)  (  4.433,  -3.963,  -2.662)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.881,   8.342,   0.937)  (  3.882,   8.343,   0.937)  ( 0.00,  0.00,  0.01)
162:     electro ( -0.028,   1.377,  -1.020)  ( -0.028,   1.377,  -1.020)  ( 0.00,  0.00,  0.00)
162: 21       (161.649, -26.573, 179.307)  (161.666, -26.533, 179.332)  ( 0.01,  0.15,  0.01)
162:     bond    ( 94.358,  10.667, 108.046)  ( 94.370,  10.699, 108.064)  ( 0.01,  0.30,  0.02)
162:     angle   ( 77.084, -26.454,  48.484)  ( 77.089, -26.445,  48.490)  ( 0.01,  0.03,  0.01)
162:     torsion (  4.284,   1.677,  -0.546)  (  4.284,   1.677,  -0.545)  ( 0.01,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -9.887, -10.429,  18.556)  ( -9.887, -10.429,  18.557)  ( 0.00,  0.00,  0.00)
162:     electro ( -4.190,  -2.034,   4.766)  ( -4.190,  -2.034,   4.766)  ( 0.00,  0.00,  0.00)
162: 22       ( 16.326,  -2.093, -12.862)  ( 16.329,  -2.087, -12.851)  ( 0.02,  0.27,  0.09)
162:     bond    (  1.374,  -9.398, -16.143)  (  1.374,  -9.395, -16.132)  ( 0.01,  0.04,  0.06)
162:     angle   ( 13.409,   3.381,  -0.828)  ( 13.411,   3.383,  -0.828)  ( 0.02,  0.06,  0.05)
162:     torsion ( -2.701,   3.135,  -2.055)  ( -2.701,   3.135,  -2.056)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.563,   3.317,   4.624)  (  4.564,   3.317,   4.624)  ( 0.01,  0.00,  0.00)
162:     electro ( -0.319,  -2.527,   1.540)  ( -0.319,  -2.527,   1.540)  ( 0.00,  0.00,  0.00)
162: 23       (-128.902, -31.257, -143.473)  (-128.891, -31.236, -143.459)  ( 0.01,  0.07,  0.01)
162:     bond    (-109.862, -24.952, -130.010)  (-109.852, -24.937, -129.998)  ( 0.01,  0.06,  0.01)
162:     angle   (-20.264,   1.010, -19.757)  (-20.263,   1.015, -19.755)  ( 0.00,  0.53,  0.01)
162:     torsion ( -4.483,  -0.658,   3.897)  ( -4.482,  -0.658,   3.897)  ( 0.01,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.898,  -9.446,   3.735)  (  1.898,  -9.445,   3.735)  ( 0.00,  0.00,  0.00)
162:     electro (  3.808,   2.789,  -1.338)  (  3.808,   2.789,  -1.338)  ( 0.00,  0.00,  0.00)
162: 24       ( -8.341,   2.414,  -5.418)  ( -8.334,   2.421,  -5.413)  ( 0.09,  0.30,  0.08)
162:     bond    ( -6.765,   6.691,  -4.681)  ( -6.759,   6.697,  -4.679)  ( 0.09,  0.08,  0.06)
162:     angle   ( -5.987,  -8.347,  -3.300)  ( -5.986,  -8.345,  -3.298)  ( 0.02,  0.02,  0.05)
162:     torsion ( -0.111,   0.005,   0.168)  ( -0.111,   0.005,   0.168)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.529,   4.505,   1.876)  (  4.529,   4.505,   1.876)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.007,  -0.441,   0.519)  ( -0.007,  -0.441,   0.519)  ( 0.00,  0.00,  0.00)
162: 25       (-13.180,  -6.027,   0.187)  (-13.174,  -6.021,   0.194)  ( 0.04,  0.10,  0.14)
162:     bond    ( -6.492,  -6.842,   7.764)  ( -6.488,  -6.838,   7.769)  ( 0.06,  0.07,  0.07)
162:     angle   (-10.193,  -2.422, -10.642)  (-10.192,  -2.420, -10.641)  ( 0.01,  0.06,  0.01)
162:     torsion (  0.015,  -0.018,  -0.004)  (  0.015,  -0.018,  -0.004)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.489,   3.271,   2.934)  (  3.489,   3.271,   2.934)  ( 0.00,  0.00,  0.00)
162:     electro (  0.001,  -0.016,   0.136)  (  0.001,  -0.016,   0.136)  ( 0.00,  0.00,  0.00)
162: 26       ( -6.072,  -6.676, -11.912)  ( -6.068,  -6.669, -11.903)  ( 0.07,  0.10,  0.07)
162:     bond    (  4.340,  -7.274,  -8.578)  (  4.342,  -7.268,  -8.571)  ( 0.04,  0.07,  0.08)
162:     angle   (-14.802,  -2.793,  -5.131)  (-14.800,  -2.791,  -5.130)  ( 0.01,  0.05,  0.02)
162:     torsion ( -0.025,   0.231,  -0.209)  ( -0.025,   0.231,  -0.209)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.175,   3.216,   1.878)  (  4.175,   3.216,   1.878)  ( 0.00,  0.00,  0.00)
162:     electro (  0.239,  -0.056,   0.129)  (  0.239,  -0.056,   0.129)  ( 0.00,  0.00,  0.00)
162: 27       ( -7.930,   6.898,   0.377)  ( -7.923,   6.906,   0.381)  ( 0.10,  0.11,  0.16)
162:     bond    ( -7.674,   7.398,  -4.124)  ( -7.668,   7.404,  -4.122)  ( 0.08,  0.08,  0.05)
162:     angle   ( -4.404,   2.474,  12.635)  ( -4.403,   2.475,  12.637)  ( 0.02,  0.05,  0.02)
162:     torsion ( -0.939,  -0.873,   0.177)  ( -0.939,  -0.873,   0.177)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.164,  -1.720,  -8.316)  (  5.164,  -1.720,  -8.316)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.077,  -0.380,   0.004)  ( -0.077,  -0.380,   0.004)  ( 0.00,  0.00,  0.00)
162: 28       ( -1.673,  11.278,   8.469)  ( -1.664,  11.283,   8.474)  ( 0.50,  0.05,  0.06)
162:     bond    (  7.443,   5.640,   5.085)  (  7.450,   5.644,   5.088)  ( 0.09,  0.07,  0.06)
162:     angle   (-12.872,   8.560,   9.347)  (-12.871,   8.561,   9.348)  ( 0.01,  0.02,  0.02)
162:     torsion ( -0.163,   0.947,  -0.812)  ( -0.163,   0.947,  -0.812)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.057,  -3.384,  -5.345)  (  4.057,  -3.384,  -5.345)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.138,  -0.486,   0.195)  ( -0.138,  -0.486,   0.195)  ( 0.00,  0.00,  0.00)
162: 29       (-11.864,   1.706,  10.277)  (-11.860,   1.712,  10.285)  ( 0.04,  0.36,  0.08)
162:     bond    ( -6.333,  -7.421,   8.992)  ( -6.330,  -7.416,   8.999)  ( 0.05,  0.06,  0.07)
162:     angle   ( -7.898,  12.822,   5.013)  ( -7.897,  12.824,   5.014)  ( 0.02,  0.01,  0.02)
162:     torsion (  0.783,  -0.088,   0.479)  (  0.783,  -0.088,   0.479)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.664,  -3.431,  -4.196)  (  1.664,  -3.431,  -4.196)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.080,  -0.176,  -0.010)  ( -0.080,  -0.176,  -0.010)  ( 0.00,  0.00,  0.00)
162: 30       (  7.091,  27.558,   8.407)  (  7.093,  27.573,   8.409)  ( 0.03,  0.05,  0.02)
162:     bond    ( -5.489,  23.059,  -2.986)  ( -5.488,  23.073,  -2.985)  ( 0.02,  0.06,  0.01)
162:     angle   ( 17.936,   7.069,  21.658)  ( 17.937,   7.069,  21.659)  ( 0.01,  0.00,  0.01)
162:     torsion (  3.204,   0.402,  -2.785)  (  3.204,   0.402,  -2.785)  ( 0.01,  0.00,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vex_iz4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vey_iz5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vf3_gvs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vf5_glp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vft_sor.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vg2_dpo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vg5_nnc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vg6_nnb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vg7_nni.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vgc_v35.sdf
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -8.559,  -2.971,  -7.481)  ( -8.559,  -2.971,  -7.481)  ( 0.00,  0.00,  0.00)
162: 31       (-22.391,  51.361, -14.964)  (-22.388,  51.382, -14.956)  ( 0.01,  0.04,  0.05)
162:     bond    (  6.860,  28.919,  15.644)  (  6.861,  28.939,  15.650)  ( 0.02,  0.07,  0.04)
162:     angle   (-41.399,  32.772, -42.455)  (-41.398,  32.773, -42.454)  ( 0.00,  0.00,  0.00)
162:     torsion ( -0.709,  -0.239,   0.753)  ( -0.709,  -0.239,   0.753)  ( 0.01,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.115, -10.092,   3.590)  (  3.115, -10.092,   3.590)  ( 0.00,  0.00,  0.00)
162:     electro (  9.743,   0.001,   7.505)  (  9.743,   0.001,   7.505)  ( 0.00,  0.00,  0.00)
162: ok 32 # gradients 
162: ok 33 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (  9.939,  -1.844,   0.003)  (  9.975,  -1.828,   0.032)  ( 0.36,  0.87,  0.01)
162:     bond    (  3.343,  -0.578,   0.071)  (  3.368,  -0.569,   0.092)  ( 0.74,  0.55,  0.15)
162:     angle   ( 31.094,  -5.861,  -0.074)  ( 31.105,  -5.859,  -0.069)  ( 0.03,  0.05,  0.04)
162:     torsion (  0.003,   0.006,  -0.008)  (  0.003,   0.010,  -0.007)  ( 0.00,  0.00,  0.00)
162:     oop     (  0.000,   0.002,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
162:     vdw     (-23.368,   4.375,   0.016)  (-23.367,   4.375,   0.016)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.134,   0.212,   0.001)  ( -1.134,   0.212,   0.001)  ( 0.00,  0.00,  0.00)
162:  2       ( 28.160,   0.299,   9.627)  ( 28.197,   0.315,   9.655)  ( 0.13,  0.47,  0.29)
162:     bond    ( 65.349, -12.154,   0.347)  ( 65.377, -12.146,   0.365)  ( 0.04,  0.07,  0.64)
162:     angle   (-20.964,   1.627,  -3.468)  (-20.956,   1.630,  -3.461)  ( 0.04,  0.21,  0.21)
162:     torsion ( -0.099,  -0.520,   0.342)  ( -0.099,  -0.517,   0.343)  ( 0.00,  0.18,  0.05)
162:     oop     ( -0.006,  -0.032,   0.021)  ( -0.006,  -0.031,   0.021)  ( 0.00,  0.00,  0.00)
162:     vdw     (-14.566,  12.237,  14.094)  (-14.566,  12.237,  14.095)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.554,  -0.858,  -1.709)  ( -1.554,  -0.858,  -1.709)  ( 0.00,  0.00,  0.00)
162:  3       (-45.505, -25.091, -54.783)  (-45.469, -25.075, -54.756)  ( 0.08,  0.06,  0.05)
162:     bond    (-27.912, -50.685, -84.497)  (-27.885, -50.676, -84.479)  ( 0.10,  0.02,  0.02)
162:     angle   (-31.895,  12.396,  11.675)  (-31.886,  12.399,  11.682)  ( 0.03,  0.03,  0.06)
162:     torsion (  0.506,   2.702,  -1.797)  (  0.507,   2.705,  -1.796)  ( 0.01,  0.12,  0.08)
162:     oop     (  0.002,   0.010,  -0.007)  (  0.002,   0.010,  -0.007)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.729,  10.503,  19.852)  ( 13.730,  10.503,  19.852)  ( 0.00,  0.00,  0.00)
162:     electro (  0.064,  -0.017,  -0.009)  (  0.064,  -0.017,  -0.009)  ( 0.00,  0.00,  0.00)
162:  4       (-100.866,  18.886,   0.220)  (-100.831,  18.902,   0.248)  ( 0.04,  0.09,  0.62)
162:     bond    (-146.522,  27.515,   0.261)  (-146.497,  27.525,   0.282)  ( 0.02,  0.03,  0.54)
162:     angle   ( 25.917,  -4.877,  -0.055)  ( 25.927,  -4.873,  -0.049)  ( 0.04,  0.08,  0.03)
162:     torsion ( -0.011,  -0.056,   0.029)  ( -0.011,  -0.053,   0.030)  ( 0.00,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 19.650,  -3.678,  -0.015)  ( 19.651,  -3.678,  -0.015)  ( 0.00,  0.00,  0.00)
162:     electro (  0.100,  -0.019,  -0.000)  (  0.100,  -0.019,  -0.000)  ( 0.00,  0.00,  0.00)
162:  5       (-33.743,  39.837,  54.381)  (-33.706,  39.853,  54.408)  ( 0.11,  0.04,  0.05)
162:     bond    ( -7.951,  57.195,  84.198)  ( -7.923,  57.203,  84.216)  ( 0.35,  0.01,  0.02)
162:     angle   (-34.355,  -0.042, -11.650)  (-34.346,  -0.038, -11.643)  ( 0.02,  0.02,  0.06)
162:     torsion ( -0.473,  -2.543,   1.684)  ( -0.473,  -2.540,   1.686)  ( 0.01,  0.12,  0.08)
162:     oop     ( -0.002,  -0.010,   0.007)  ( -0.002,  -0.010,   0.007)  ( 0.00,  0.00,  0.00)
162:     vdw     (  8.972, -14.754, -19.867)  (  8.972, -14.754, -19.866)  ( 0.00,  0.00,  0.00)
162:     electro (  0.066,  -0.008,   0.009)  (  0.066,  -0.008,   0.009)  ( 0.00,  0.00,  0.00)
162:  6       ( 26.431, -10.762,  -9.864)  ( 26.468, -10.746,  -9.836)  ( 0.14,  0.15,  0.28)
162:     bond    ( 65.571, -12.525,  -0.673)  ( 65.598, -12.516,  -0.654)  ( 0.04,  0.07,  1.25)
162:     angle   (-20.069,   6.056,   3.500)  (-20.061,   6.059,   3.507)  ( 0.04,  0.05,  0.20)
162:     torsion (  0.082,   0.448,  -0.301)  (  0.082,   0.451,  -0.299)  ( 0.00,  0.16,  0.05)
162:     oop     (  0.006,   0.030,  -0.021)  (  0.006,   0.031,  -0.020)  ( 0.00,  0.00,  0.00)
162:     vdw     (-18.022,  -6.133, -14.081)  (-18.022,  -6.133, -14.080)  ( 0.00,  0.00,  0.00)
162:     electro ( -1.136,   1.362,   1.710)  ( -1.136,   1.362,   1.710)  ( 0.00,  0.00,  0.00)
162:  7       ( 43.541,  -7.873,  -0.219)  ( 43.576,  -7.844,  -0.204)  ( 0.08,  0.37,  0.33)
162:     bond    ( 62.966, -11.497,  -0.240)  ( 62.991, -11.476,  -0.232)  ( 0.04,  0.18,  0.18)
162:     angle   ( -8.473,   1.575,   0.022)  ( -8.463,   1.581,   0.026)  ( 0.12,  0.39,  0.01)
162:     torsion ( -0.001,  -0.004,   0.001)  ( -0.001,  -0.003,   0.004)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.001)  ( -0.000,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
162:     vdw     (-10.662,   2.000,  -0.002)  (-10.661,   2.000,  -0.001)  ( 0.01,  0.01,  0.00)
162:     electro ( -0.290,   0.054,   0.000)  ( -0.290,   0.054,   0.000)  ( 0.00,  0.00,  0.00)
162:  8       (-21.512,   8.533,  -2.211)  (-21.475,   8.561,  -2.197)  ( 0.17,  0.33,  0.64)
162:     bond    (-14.149, -11.677,   8.514)  (-14.120, -11.658,   8.521)  ( 0.20,  0.16,  0.08)
162:     angle   (  3.182, -11.624,   6.552)  (  3.190, -11.617,   6.555)  ( 0.26,  0.06,  0.04)
162:     torsion (  0.078,   0.413,   0.693)  (  0.078,   0.415,   0.697)  ( 0.00,  0.06,  0.28)
162:     oop     ( -0.001,  -0.006,  -0.011)  ( -0.001,  -0.006,  -0.010)  ( 0.00,  0.00,  0.00)
162:     vdw     (-10.303,  31.921, -18.294)  (-10.303,  31.922, -18.294)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.319,  -0.494,   0.334)  ( -0.319,  -0.494,   0.334)  ( 0.00,  0.00,  0.00)
162:  9       ( 48.973,   3.976,  -7.897)  ( 49.009,   4.004,  -7.883)  ( 0.08,  0.71,  0.17)
162:     bond    ( 14.699, -28.406,  15.232)  ( 14.727, -28.387,  15.238)  ( 0.19,  0.07,  0.04)
162:     angle   ( 10.705,   7.865,  -5.884)  ( 10.713,   7.872,  -5.882)  ( 0.07,  0.09,  0.04)
162:     torsion ( -0.002,  -0.014,  -0.025)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.01)
162:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 23.330,  24.333, -17.077)  ( 23.331,  24.334, -17.077)  ( 0.00,  0.00,  0.00)
162:     electro (  0.241,   0.197,  -0.145)  (  0.241,   0.197,  -0.145)  ( 0.00,  0.00,  0.00)
162: 10       (-17.572,   3.303,   0.003)  (-17.551,   3.326,   0.014)  ( 0.12,  0.71,  0.00)
162:     bond    (-30.271,   5.697,  -0.018)  (-30.260,   5.718,  -0.010)  ( 0.04,  0.37,  0.01)
162:     angle   ( -9.557,   1.759,   0.022)  ( -9.549,   1.761,   0.022)  ( 0.09,  0.08,  0.00)
162:     torsion (  0.002,   0.010,   0.016)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 24.936,  -4.665,  -0.019)  ( 24.936,  -4.665,  -0.019)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.681,   0.502,   0.002)  ( -2.681,   0.502,   0.002)  ( 0.00,  0.00,  0.00)
162: 11       ( 43.607, -21.492,   7.803)  ( 43.645, -21.465,   7.816)  ( 0.09,  0.13,  0.17)
162:     bond    ( 23.408,  21.070, -15.181)  ( 23.439,  21.088, -15.174)  ( 0.13,  0.08,  0.04)
162:     angle   (  7.071, -11.144,   5.829)  (  7.078, -11.137,   5.832)  ( 0.11,  0.07,  0.04)
162:     torsion ( -0.004,  -0.020,  -0.035)  ( -0.004,  -0.019,  -0.031)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.002,  -0.004)  ( -0.000,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 12.978, -31.126,  17.049)  ( 12.978, -31.125,  17.049)  ( 0.00,  0.00,  0.00)
162:     electro (  0.154,  -0.270,   0.145)  (  0.154,  -0.270,   0.145)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vgk_rez.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vgo_ad5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vgp_ad6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vh0_gsi.sdf
166: ok 1 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : 
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vh6_gsv.sdf
162: 12       (-22.333,  -0.735,   2.460)  (-22.296,  -0.706,   2.474)  ( 0.16,  2.08,  0.57)
162:     bond    ( -8.286,  15.559,  -8.353)  ( -8.259,  15.579,  -8.346)  ( 0.33,  0.13,  0.08)
162:     angle   (  7.262,   9.568,  -6.515)  (  7.270,   9.575,  -6.513)  ( 0.12,  0.07,  0.04)
162:     torsion ( -0.075,  -0.398,  -0.671)  ( -0.075,  -0.397,  -0.667)  ( 0.00,  0.06,  0.27)
162:     oop     (  0.001,   0.007,   0.012)  (  0.001,   0.008,   0.013)  ( 0.00,  0.00,  0.00)
162:     vdw     (-21.116, -26.047,  18.320)  (-21.116, -26.047,  18.321)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.119,   0.576,  -0.333)  ( -0.119,   0.576,  -0.333)  ( 0.00,  0.00,  0.00)
162: 13       ( -3.438,  -4.662,   3.047)  ( -3.431,  -4.655,   3.051)  ( 0.21,  0.17,  0.14)
162:     bond    ( -3.155,  -3.471,   2.414)  ( -3.150,  -3.464,   2.417)  ( 0.16,  0.18,  0.12)
162:     angle   ( -1.327,   0.924,  -0.402)  ( -1.325,   0.925,  -0.401)  ( 0.16,  0.10,  0.01)
162:     torsion ( -0.010,  -0.054,  -0.092)  ( -0.010,  -0.054,  -0.091)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.001,  -0.003,  -0.005)  ( -0.001,  -0.003,  -0.005)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.656,  -1.568,   0.868)  (  0.656,  -1.568,   0.868)  ( 0.00,  0.00,  0.00)
162:     electro (  0.399,  -0.490,   0.264)  (  0.399,  -0.490,   0.264)  ( 0.00,  0.00,  0.00)
162: 14       ( -1.038,  -6.052,   3.764)  ( -1.032,  -6.042,   3.767)  ( 0.51,  0.16,  0.10)
162:     bond    (  1.964,  -3.904,   2.094)  (  1.966,  -3.895,   2.096)  ( 0.12,  0.24,  0.13)
162:     angle   ( -4.094,  -1.377,   1.278)  ( -4.091,  -1.377,   1.278)  ( 0.07,  0.03,  0.02)
162:     torsion (  0.005,   0.024,   0.041)  (  0.005,   0.025,   0.041)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.289,   0.109,  -0.100)  (  0.289,   0.109,  -0.100)  ( 0.00,  0.00,  0.00)
162:     electro (  0.800,  -0.904,   0.451)  (  0.800,  -0.904,   0.451)  ( 0.00,  0.00,  0.00)
162: 15       ( 39.547,  17.387,  40.717)  ( 39.575,  17.414,  40.744)  ( 0.07,  0.15,  0.07)
162:     bond    ( 13.148,  10.036,  18.899)  ( 13.166,  10.055,  18.918)  ( 0.14,  0.19,  0.10)
162:     angle   ( 18.212,   2.244,  10.544)  ( 18.220,   2.251,  10.551)  ( 0.05,  0.30,  0.07)
162:     torsion ( -0.087,  -0.474,   0.315)  ( -0.087,  -0.473,   0.315)  ( 0.00,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  7.697,   5.765,  11.093)  (  7.697,   5.765,  11.094)  ( 0.01,  0.00,  0.00)
162:     electro (  0.577,  -0.184,  -0.134)  (  0.577,  -0.184,  -0.134)  ( 0.00,  0.00,  0.00)
162: 16       (-21.609,   4.057,   0.045)  (-21.594,   4.059,   0.048)  ( 0.07,  0.05,  0.01)
162:     bond    ( -9.567,   1.788,   0.006)  ( -9.552,   1.789,   0.006)  ( 0.15,  0.03,  0.00)
162:     angle   (  0.003,   0.018,   0.026)  (  0.004,   0.019,   0.028)  ( 0.00,  0.00,  0.01)
162:     torsion ( -0.001,  -0.005,   0.003)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -8.832,   1.655,   0.008)  ( -8.832,   1.655,   0.008)  ( 0.00,  0.01,  0.00)
162:     electro ( -3.213,   0.602,   0.002)  ( -3.213,   0.602,   0.002)  ( 0.00,  0.00,  0.00)
162: 17       (-27.099,   9.944,   6.522)  (-27.093,   9.949,   6.531)  ( 0.02,  0.05,  0.14)
162:     bond    ( -2.971,   3.963,   5.094)  ( -2.968,   3.968,   5.102)  ( 0.09,  0.12,  0.15)
162:     angle   (  5.464,   0.715,   2.624)  (  5.467,   0.715,   2.625)  ( 0.05,  0.00,  0.02)
162:     torsion ( -0.047,  -0.247,   0.164)  ( -0.047,  -0.246,   0.164)  ( 0.00,  0.01,  0.00)
162:     oop     (  0.002,   0.010,  -0.007)  (  0.002,   0.010,  -0.007)  ( 0.00,  0.00,  0.00)
162:     vdw     (-34.109,   3.803,  -5.190)  (-34.108,   3.803,  -5.190)  ( 0.00,  0.00,  0.00)
162:     electro (  4.561,   1.700,   3.837)  (  4.561,   1.700,   3.837)  ( 0.00,  0.00,  0.00)
162: 18       ( 30.504, -30.620, -40.444)  ( 30.531, -30.594, -40.417)  ( 0.09,  0.09,  0.07)
162:     bond    (  8.498, -14.006, -18.729)  (  8.516, -13.988, -18.710)  ( 0.21,  0.13,  0.10)
162:     angle   ( 16.251,  -8.841, -10.464)  ( 16.259,  -8.834, -10.457)  ( 0.05,  0.08,  0.07)
162:     torsion (  0.079,   0.420,  -0.281)  (  0.079,   0.420,  -0.280)  ( 0.00,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  5.071,  -8.155, -11.104)  (  5.072,  -8.155, -11.103)  ( 0.01,  0.00,  0.00)
162:     electro (  0.605,  -0.037,   0.133)  (  0.605,  -0.037,   0.133)  ( 0.00,  0.00,  0.00)
162: 19       (-28.792,   0.611,  -6.408)  (-28.783,   0.615,  -6.399)  ( 0.03,  0.21,  0.14)
162:     bond    ( -4.128,  -2.571,  -5.000)  ( -4.122,  -2.569,  -4.992)  ( 0.13,  0.08,  0.16)
162:     angle   (  4.816,  -2.635,  -2.623)  (  4.818,  -2.635,  -2.623)  ( 0.04,  0.02,  0.02)
162:     torsion (  0.046,   0.249,  -0.167)  (  0.046,   0.250,  -0.167)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.002,  -0.011,   0.007)  ( -0.002,  -0.011,   0.007)  ( 0.00,  0.00,  0.00)
162:     vdw     (-33.156,   8.814,   5.218)  (-33.155,   8.814,   5.218)  ( 0.00,  0.00,  0.00)
162:     electro (  3.632,  -3.234,  -3.843)  (  3.632,  -3.234,  -3.843)  ( 0.00,  0.00,  0.00)
162: 20       ( -1.417,   5.561,  -3.069)  ( -1.412,   5.572,  -3.065)  ( 0.32,  0.19,  0.14)
162:     bond    ( -1.679,   4.331,  -2.400)  ( -1.677,   4.341,  -2.397)  ( 0.09,  0.23,  0.13)
162:     angle   ( -1.475,  -0.360,   0.378)  ( -1.472,  -0.360,   0.379)  ( 0.21,  0.01,  0.01)
162:     torsion (  0.009,   0.049,   0.083)  (  0.009,   0.050,   0.084)  ( 0.00,  0.00,  0.01)
162:     oop     (  0.000,   0.002,   0.004)  (  0.000,   0.002,   0.004)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.178,   1.225,  -0.870)  (  1.178,   1.225,  -0.870)  ( 0.01,  0.00,  0.00)
162:     electro (  0.549,   0.313,  -0.265)  (  0.549,   0.313,  -0.265)  ( 0.00,  0.00,  0.00)
162: 21       (  1.256,   6.103,  -3.821)  (  1.264,   6.110,  -3.817)  ( 0.66,  0.11,  0.10)
162:     bond    (  3.309,   2.985,  -2.153)  (  3.315,   2.991,  -2.151)  ( 0.19,  0.17,  0.12)
162:     angle   ( -3.351,   2.788,  -1.285)  ( -3.350,   2.790,  -1.284)  ( 0.06,  0.05,  0.02)
162:     torsion ( -0.003,  -0.018,  -0.030)  ( -0.003,  -0.017,  -0.029)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.230,  -0.206,   0.099)  (  0.230,  -0.206,   0.099)  ( 0.00,  0.00,  0.00)
162:     electro (  1.072,   0.553,  -0.452)  (  1.072,   0.553,  -0.452)  ( 0.00,  0.00,  0.00)
162: 22       (  4.183,   6.263,  -8.296)  (  4.188,   6.272,  -8.290)  ( 0.12,  0.14,  0.06)
162:     bond    ( -3.539,   5.280,  -3.647)  ( -3.536,   5.287,  -3.644)  ( 0.09,  0.14,  0.10)
162:     angle   (  8.074,  -0.673,  -8.814)  (  8.075,  -0.672,  -8.812)  ( 0.02,  0.08,  0.02)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.302,   1.409,   4.011)  ( -0.302,   1.409,   4.011)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.049,   0.248,   0.155)  ( -0.049,   0.248,   0.155)  ( 0.00,  0.00,  0.00)
162: 23       (  1.760,  -9.935,   3.608)  (  1.768,  -9.928,   3.612)  ( 0.42,  0.07,  0.11)
162:     bond    ( -4.804,  -4.755,   2.671)  ( -4.798,  -4.749,   2.673)  ( 0.13,  0.13,  0.07)
162:     angle   (  6.694,  -7.578,  -1.445)  (  6.695,  -7.577,  -1.443)  ( 0.02,  0.01,  0.14)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.003,   2.330,   2.074)  ( -0.003,   2.330,   2.074)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.127,   0.067,   0.308)  ( -0.127,   0.067,   0.308)  ( 0.00,  0.00,  0.00)
162: 24       ( 19.965,  -2.748,   0.181)  ( 19.972,  -2.743,   0.189)  ( 0.03,  0.18,  0.14)
162:     bond    (  4.537,  -3.942,  -5.382)  (  4.541,  -3.938,  -5.375)  ( 0.10,  0.09,  0.12)
162:     angle   (-13.992,  -2.615,  -9.907)  (-13.990,  -2.614,  -9.906)  ( 0.01,  0.06,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 30.374,   3.599,  15.457)  ( 30.375,   3.599,  15.457)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vi0_vam.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vi5_y19.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vin_505.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vio_l1o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vip_l1r.sdf
166:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
166:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
166:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
166:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
166:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
166:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
166:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
166:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
166:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
166:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
166:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
166:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
166:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
166:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
166:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
166:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
166:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
166:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
166:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
166:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
166:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
166:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
166:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
166:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
166:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
166:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
166:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
166:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
166:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
166:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
166:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
166:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
166:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
166:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
166:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
166:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
166:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
166:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
166:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
166:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
166:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
166:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
166:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
166:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
166:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
166:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
166:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
166:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
166:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
166:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
166:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
166:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
166:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
166:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
166:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
166:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
166:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
166:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
166:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
166:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
166:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
166:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
166: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
166:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
166:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
166:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
166:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
166:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
166: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
166:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
166:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
166:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
166:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
166:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
166:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
166: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2viq_d55.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2viv_vg2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2viw_d56.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vj8_ha2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vkf_cf2.sdf
166:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
166:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
166:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
166:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
166:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
166:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
166: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
166:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
166:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
166:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
166:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
166: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
166:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
166:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
166:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
166:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
166: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
166:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
166:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
166:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
166:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
166:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
166:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
166: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
166:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
166:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
166:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
166:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
166:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
166: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
166:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
166:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
166:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
166:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
166:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
166: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
166:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
166:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
166:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
166:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
166:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
166:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
166: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
166:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
166:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
166:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
166:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
166:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
166: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
166:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
166:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
166:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
166:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
166:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
166:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
166:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
166: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
166:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
166:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
166:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
166:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
166:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
166:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
166: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
166:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
166:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
166:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
166:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
166:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
166: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
166:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
164:     bond    (-12.958,  14.537,  15.529)  (-12.956,  14.540,  15.533)  ( 0.02,  0.02,  0.03)
164:     angle   (  5.486, -21.711, -16.528)  (  5.488, -21.709, -16.526)  ( 0.04,  0.01,  0.01)
164:     strbnd  (  4.156,   8.341,  -1.058)  (  4.155,   8.340,  -1.059)  ( 0.02,  0.01,  0.04)
164:     torsion (  0.521,  -0.105,  -0.116)  (  0.521,  -0.105,  -0.116)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.814,  -1.090,   2.040)  (  2.814,  -1.090,   2.040)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 13       ( -0.345,  -0.098,  -0.425)  ( -0.340,  -0.093,  -0.420)  ( 0.16,  0.05,  0.21)
164:     bond    ( 19.196, -25.927,  -5.472)  ( 19.199, -25.923,  -5.468)  ( 0.02,  0.01,  0.07)
164:     angle   (-20.973,  31.110,   6.384)  (-20.971,  31.112,   6.386)  ( 0.01,  0.01,  0.03)
164:     strbnd  ( -1.801,  -4.659,   1.967)  ( -1.802,  -4.660,   1.966)  ( 0.04,  0.02,  0.03)
164:     torsion (  2.190,  -1.303,  -1.287)  (  2.190,  -1.303,  -1.287)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.043,   0.681,  -2.017)  (  1.043,   0.681,  -2.017)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 14       ( -0.307,  -0.668,  -1.189)  ( -0.302,  -0.663,  -1.183)  ( 0.14,  0.32,  0.49)
164:     bond    (-22.467,  22.959, -11.970)  (-22.463,  22.963, -11.965)  ( 0.01,  0.02,  0.04)
164:     angle   ( 20.677, -26.111,   8.252)  ( 20.679, -26.109,   8.254)  ( 0.01,  0.01,  0.02)
164:     strbnd  (  1.372,  -1.663,  -0.432)  (  1.371,  -1.664,  -0.432)  ( 0.07,  0.05,  0.02)
164:     torsion ( -0.738,   1.381,   1.027)  ( -0.738,   1.381,   1.027)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.849,   2.766,   1.934)  (  0.849,   2.766,   1.934)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 15       ( -0.779,  -0.703,  -0.742)  ( -0.774,  -0.698,  -0.735)  ( 0.36,  0.34,  0.45)
164:     bond    ( 11.046, -27.491,   7.813)  ( 11.049, -27.488,   7.817)  ( 0.03,  0.01,  0.06)
164:     angle   (-13.695,  29.364,  -9.854)  (-13.693,  29.366,  -9.852)  ( 0.01,  0.01,  0.02)
164:     strbnd  ( -1.160,   1.909,  -1.027)  ( -1.161,   1.909,  -1.027)  ( 0.08,  0.04,  0.03)
164:     torsion (  0.502,  -0.879,  -1.143)  (  0.502,  -0.879,  -1.143)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.527,  -3.606,   3.470)  (  2.528,  -3.606,   3.470)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 16       ( -1.065,  -0.614,   1.036)  ( -1.061,  -0.609,   1.042)  ( 0.45,  0.30,  0.57)
164:     bond    ( -9.763,  20.766,  -9.836)  ( -9.759,  20.769,  -9.832)  ( 0.04,  0.02,  0.05)
164:     angle   (  9.857, -21.778,   9.882)  (  9.859, -21.776,   9.884)  ( 0.02,  0.01,  0.02)
164:     strbnd  (  0.357,   0.332,   0.998)  (  0.356,   0.331,   0.998)  ( 0.03,  0.03,  0.03)
164:     torsion ( -0.978,   0.700,   0.353)  ( -0.978,   0.700,   0.353)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.539,  -0.634,  -0.360)  ( -0.539,  -0.634,  -0.360)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 17       ( -1.087,  -1.069,   0.177)  ( -1.083,  -1.064,   0.183)  ( 0.43,  0.46,  0.10)
164:     bond    ( -1.901, -13.454,  13.464)  ( -1.897, -13.450,  13.468)  ( 0.18,  0.03,  0.03)
164:     angle   (  1.193,   9.826, -16.679)  (  1.195,   9.828, -16.677)  ( 0.18,  0.02,  0.01)
164:     strbnd  ( -3.337,   0.795,   1.409)  ( -3.338,   0.794,   1.408)  ( 0.03,  0.08,  0.02)
164:     torsion (  0.974,   1.005,   1.909)  (  0.974,   1.005,   1.909)  ( 0.00,  0.01,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.983,   0.759,   0.074)  (  1.983,   0.759,   0.074)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 18       ( -0.972,  -1.131,   0.537)  ( -0.966,  -1.126,   0.543)  ( 0.57,  0.45,  0.31)
164:     bond    (  8.970,  -7.168,  -3.472)  (  8.974,  -7.164,  -3.467)  ( 0.05,  0.06,  0.13)
164:     angle   ( -7.660,   2.779,   4.648)  ( -7.658,   2.781,   4.650)  ( 0.02,  0.07,  0.04)
164:     strbnd  ( -0.534,  -1.586,   1.106)  ( -0.535,  -1.587,   1.106)  ( 0.03,  0.05,  0.04)
164:     torsion ( -0.534,  -0.161,  -0.695)  ( -0.534,  -0.161,  -0.695)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.214,   5.005,  -1.050)  ( -1.214,   5.005,  -1.050)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 19       ( -0.892,  -1.390,  -0.413)  ( -0.887,  -1.384,  -0.407)  ( 0.44,  0.43,  0.23)
164:     bond    (-14.431,   0.239,  -5.354)  (-14.427,   0.243,  -5.350)  ( 0.03,  0.11,  0.08)
164:     angle   (  5.190,  -0.465,   6.381)  (  5.192,  -0.463,   6.382)  ( 0.04,  0.09,  0.03)
164:     strbnd  (  2.347,  -0.745,   1.442)  (  2.346,  -0.746,   1.441)  ( 0.04,  0.03,  0.03)
164:     torsion (  0.871,  -0.786,  -1.907)  (  0.871,  -0.786,  -1.907)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  5.131,   0.367,  -0.974)  (  5.131,   0.367,  -0.974)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 20       ( -1.255,   0.127,  -0.110)  ( -1.249,   0.133,  -0.106)  ( 0.48,  0.08,  0.05)
164:     bond    (  4.252,  -7.565,  15.329)  (  4.256,  -7.560,  15.333)  ( 0.11,  0.06,  0.03)
164:     angle   (  1.408,   3.130,  -7.552)  (  1.409,   3.132,  -7.550)  ( 0.13,  0.06,  0.03)
164:     strbnd  (  0.392,   0.525,  -4.232)  (  0.392,   0.524,  -4.233)  ( 0.02,  0.03,  0.02)
164:     torsion ( -2.747,   1.008,   0.725)  ( -2.747,   1.008,   0.725)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -4.560,   3.029,  -4.380)  ( -4.560,   3.029,  -4.380)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 21       (  0.264,   0.125,  -0.017)  (  0.269,   0.129,  -0.012)  ( 0.13,  0.06,  0.01)
164:     bond    ( 20.008,  -3.510,  -2.218)  ( 20.012,  -3.507,  -2.215)  ( 0.02,  0.09,  0.15)
164:     angle   (-15.231,  -7.030,   0.649)  (-15.229,  -7.028,   0.651)  ( 0.01,  0.03,  0.15)
164:     strbnd  ( -8.351,  11.149,   4.002)  ( -8.352,  11.148,   4.001)  ( 0.01,  0.01,  0.02)
164:     torsion (  1.984,  -2.010,  -1.712)  (  1.984,  -2.010,  -1.712)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.854,   1.526,  -0.737)  (  1.854,   1.526,  -0.737)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 22       (  0.427,   0.342,  -0.042)  (  0.433,   0.348,  -0.037)  ( 0.25,  0.20,  0.02)
164:     bond    (  4.959,  -8.811, -19.046)  (  4.964,  -8.806, -19.042)  ( 0.09,  0.05,  0.02)
164:     angle   ( -3.781,   3.630,  13.839)  ( -3.779,   3.632,  13.841)  ( 0.05,  0.05,  0.01)
164:     strbnd  (  1.990,  -1.284,  -2.382)  (  1.989,  -1.285,  -2.383)  ( 0.02,  0.04,  0.04)
164:     torsion ( -0.424,  -0.578,   0.131)  ( -0.424,  -0.578,   0.131)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.317,   7.386,   7.417)  ( -2.317,   7.386,   7.417)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 23       (  0.262,   0.237,   0.013)  (  0.267,   0.243,   0.019)  ( 0.12,  0.14,  0.01)
164:     bond    ( -9.101, -14.027,  14.486)  ( -9.097, -14.023,  14.490)  ( 0.04,  0.03,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vkg_cf4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vku_dbe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vle_dzn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vlh_pm9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vn0_tdz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vnp_ded.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vnt_qgg.sdf
166:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
166:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
166:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
166: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
166:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
166:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
166:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
166:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
166:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
166:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
166:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
166:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
166:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
166:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
166:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
166:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
166:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
166:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
166:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
166:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
166:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
166:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
166:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
166:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
166:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
166:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
166:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
166:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
166:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
166:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
166:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
166:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
166:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
166:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
166:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
166:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
166:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vnw_m01.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vny_m02.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vo0_m03.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vo3_m04.sdf
166:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
166:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
166:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
166:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
166:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
166: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
166:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
166:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
166:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
166:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
166: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
166:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
166:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
166:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
166: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
166:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
166:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
166:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
166: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
166:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
166:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
166:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
166:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
166:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
166: ok 2 # gradients 
166: ok 3 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
166:  1       (  0.018,  -0.341,  -0.002)  (  0.027,  -0.334,  -0.000)  ( 0.02,  0.23,  0.00)
166:     bond    (  5.237,   0.172,   1.390)  (  5.245,   0.178,   1.391)  ( 0.15,  0.09,  0.04)
166:     angle   ( -3.469,   1.277,  -0.875)  ( -3.468,   1.279,  -0.875)  ( 0.03,  0.14,  0.01)
166:     strbnd  (  1.478,   0.534,   0.407)  (  1.477,   0.533,   0.407)  ( 0.04,  0.03,  0.00)
166:     torsion ( -0.001,  -0.000,   0.002)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.604,  -0.435,  -0.173)  ( -0.604,  -0.435,  -0.173)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.623,  -1.889,  -0.753)  ( -2.623,  -1.889,  -0.753)  ( 0.00,  0.00,  0.00)
166:  2       ( -0.035,   0.614,  -0.000)  ( -0.026,   0.621,   0.002)  ( 0.03,  0.42,  0.00)
166:     bond    ( -4.097,   4.193,  -0.946)  ( -4.089,   4.199,  -0.946)  ( 0.20,  0.13,  0.06)
166:     angle   (  6.070,  -3.235,   1.494)  (  6.071,  -3.233,   1.494)  ( 0.02,  0.06,  0.02)
166:     strbnd  ( -2.009,  -0.344,  -0.542)  ( -2.010,  -0.344,  -0.542)  ( 0.03,  0.02,  0.00)
166:     torsion (  0.001,   0.000,  -0.005)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.000,   0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  3       (  0.063,   0.140,   0.024)  (  0.065,   0.142,   0.025)  ( 0.01,  0.04,  0.00)
166:     bond    (  1.119,   1.704,   0.350)  (  1.120,   1.706,   0.350)  ( 0.10,  0.15,  0.00)
166:     angle   (  1.146,  -0.809,   0.277)  (  1.146,  -0.809,   0.277)  ( 0.03,  0.02,  0.00)
166:     strbnd  ( -0.382,  -0.759,  -0.125)  ( -0.382,  -0.759,  -0.125)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.001,  -0.000,   0.003)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.717,  -0.020,  -0.190)  ( -0.717,  -0.020,  -0.190)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.101,   0.024,  -0.290)  ( -1.101,   0.024,  -0.290)  ( 0.00,  0.00,  0.00)
166:  4       ( -0.062,   0.129,  -0.016)  ( -0.061,   0.132,  -0.016)  ( 0.01,  0.04,  0.00)
166:     bond    (  1.259,  -2.407,   0.256)  (  1.260,  -2.404,   0.256)  ( 0.06,  0.12,  0.00)
166:     angle   (  2.423,   1.342,   0.683)  (  2.423,   1.343,   0.683)  ( 0.02,  0.01,  0.00)
166:     strbnd  ( -0.083,   0.405,  -0.009)  ( -0.083,   0.405,  -0.009)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.868,  -0.122,  -0.761)  ( -2.868,  -0.122,  -0.761)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.793,   0.911,  -0.180)  ( -0.793,   0.911,  -0.180)  ( 0.00,  0.00,  0.00)
166:  5       (  0.040,  -0.110,   0.006)  (  0.041,  -0.107,   0.006)  ( 0.01,  0.03,  0.00)
166:     bond    ( -0.396,   0.799,  -0.079)  ( -0.395,   0.802,  -0.079)  ( 0.03,  0.24,  0.00)
166:     angle   ( -2.535,  -1.318,  -0.711)  ( -2.535,  -1.318,  -0.711)  ( 0.02,  0.01,  0.00)
166:     strbnd  (  0.514,  -0.809,   0.110)  (  0.514,  -0.809,   0.110)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.000,   0.000,  -0.002)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.567,  -0.187,   0.144)  (  0.567,  -0.187,   0.144)  ( 0.00,  0.00,  0.00)
166:     electro (  1.889,   1.405,   0.544)  (  1.889,   1.405,   0.544)  ( 0.00,  0.00,  0.00)
166:  6       (  0.390,  -0.270,   0.111)  (  0.397,  -0.259,   0.113)  ( 0.24,  0.29,  0.02)
166:     bond    ( -3.396,  -4.839,  -1.050)  ( -3.390,  -4.829,  -1.049)  ( 0.15,  0.21,  0.05)
166:     angle   ( -3.250,   2.439,  -0.769)  ( -3.249,   2.440,  -0.768)  ( 0.03,  0.02,  0.06)
166:     strbnd  (  0.484,   0.974,   0.159)  (  0.484,   0.974,   0.159)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.001,  -0.000,   0.004)  ( -0.001,  -0.000,   0.004)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.977,   0.183,   0.792)  (  2.977,   0.183,   0.792)  ( 0.00,  0.00,  0.00)
166:     electro (  3.577,   0.972,   0.975)  (  3.577,   0.972,   0.975)  ( 0.00,  0.00,  0.00)
166:  7       ( -0.447,  -0.202,  -0.130)  ( -0.443,  -0.195,  -0.129)  ( 0.18,  0.16,  0.01)
166:     bond    (  0.245,   0.341,   0.076)  (  0.249,   0.348,   0.077)  ( 0.10,  0.26,  0.00)
166:     angle   ( -0.389,   0.299,  -0.100)  ( -0.389,   0.299,  -0.099)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.646,   0.581,   0.189)  (  0.646,   0.581,   0.189)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.949,  -1.423,  -0.296)  ( -0.949,  -1.423,  -0.296)  ( 0.00,  0.00,  0.00)
166: ok 4 # gradients 
166: ok 5 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
166:  1       ( -0.272,   0.975,  -1.711)  ( -0.266,   0.978,  -1.706)  ( 0.14,  0.26,  0.24)
166:     bond    (  4.786,   0.643,  -1.120)  (  4.790,   0.648,  -1.116)  ( 0.08,  0.30,  0.40)
166:     angle   ( -4.248,  -1.205,   2.065)  ( -4.246,  -1.204,   2.067)  ( 0.04,  0.13,  0.09)
166:     strbnd  (  1.309,   0.175,  -0.296)  (  1.308,   0.175,  -0.297)  ( 0.05,  0.01,  0.02)
166:     torsion ( -0.109,   0.451,  -0.803)  ( -0.109,   0.451,  -0.803)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,   0.019,   0.011)  ( -0.000,   0.016,   0.009)  ( 0.00,  0.01,  0.00)
166:     vdw     ( -0.992,   0.534,  -0.937)  ( -0.992,   0.534,  -0.937)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.018,   0.358,  -0.630)  ( -1.018,   0.358,  -0.630)  ( 0.00,  0.00,  0.00)
166:  2       (  0.141,  -0.327,   0.169)  (  0.149,  -0.299,   0.191)  ( 0.11,  0.92,  0.37)
166:     bond    ( -6.313,   3.829,  -6.633)  ( -6.307,   3.832,  -6.625)  ( 0.09,  0.07,  0.12)
166:     angle   ( 14.795,   1.490,  -2.461)  ( 14.798,   1.491,  -2.460)  ( 0.02,  0.05,  0.06)
166:     strbnd  ( -8.362,  -5.365,   9.214)  ( -8.362,  -5.366,   9.212)  ( 0.01,  0.01,  0.02)
166:     torsion (  0.021,  -0.143,   0.129)  (  0.021,  -0.143,   0.129)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.137,  -0.079)  ( -0.000,  -0.113,  -0.065)  ( 0.00,  0.34,  0.11)
166:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  3       ( -0.084,  -0.016,   0.020)  ( -0.082,  -0.019,   0.022)  ( 0.02,  0.00,  0.01)
166:     bond    ( -1.795,  -1.762,   3.022)  ( -1.793,  -1.760,   3.028)  ( 0.11,  0.11,  0.18)
166:     angle   ( -8.883,   2.272,  -3.938)  ( -8.882,   2.272,  -3.938)  ( 0.01,  0.00,  0.00)
166:     strbnd  (  5.080,   5.487,  -9.440)  (  5.080,   5.487,  -9.440)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.000,  -0.057,  -0.033)  (  0.000,  -0.056,  -0.033)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,   0.025,   0.014)  ( -0.000,   0.020,   0.012)  ( 0.00,  0.01,  0.00)
166:     vdw     (  2.113,   0.148,  -0.250)  (  2.113,   0.148,  -0.250)  ( 0.00,  0.00,  0.00)
166:     electro (  3.400,  -6.130,  10.644)  (  3.400,  -6.130,  10.644)  ( 0.00,  0.00,  0.00)
166:  4       ( -0.054,   0.575,   0.361)  ( -0.045,   0.530,   0.340)  ( 0.05,  2.57,  0.74)
166:     bond    (  1.797,  -0.285,   0.335)  (  1.804,  -0.284,   0.341)  ( 0.39,  0.05,  0.18)
166:     angle   ( -6.314,   1.453,  -2.828)  ( -6.313,   1.453,  -2.827)  ( 0.03,  0.02,  0.04)
166:     strbnd  (  0.607,  -1.012,   1.791)  (  0.607,  -1.012,   1.791)  ( 0.01,  0.01,  0.02)
166:     torsion (  0.002,   0.488,   0.281)  (  0.002,   0.488,   0.281)  ( 0.00,  0.02,  0.00)
166:     oop     ( -0.000,   0.284,   0.162)  ( -0.000,   0.237,   0.135)  ( 0.00,  1.33,  0.44)
166:     vdw     (  3.855,  -0.353,   0.619)  (  3.855,  -0.353,   0.619)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  5       (  0.018,  -0.203,  -0.165)  (  0.019,  -0.184,  -0.152)  ( 0.00,  0.39,  0.22)
166:     bond    ( -2.157,  -2.229,   3.948)  ( -2.156,  -2.228,   3.951)  ( 0.04,  0.04,  0.08)
166:     angle   ( -0.484,   0.182,  -0.161)  ( -0.483,   0.182,  -0.161)  ( 0.03,  0.00,  0.00)
166:     strbnd  (  0.577,   0.505,  -0.902)  (  0.577,   0.505,  -0.902)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.003,  -0.219,  -0.125)  ( -0.003,  -0.219,  -0.125)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.099,  -0.056)  ( -0.000,  -0.081,  -0.046)  ( 0.00,  0.18,  0.06)
166:     vdw     (  1.088,  -0.556,   0.972)  (  1.088,  -0.556,   0.972)  ( 0.00,  0.00,  0.00)
166:     electro (  0.996,   2.213,  -3.840)  (  0.996,   2.213,  -3.840)  ( 0.00,  0.00,  0.00)
166:  6       (  0.023,  -0.205,  -0.126)  (  0.027,  -0.191,  -0.117)  ( 0.01,  0.28,  0.10)
166:     bond    (  3.250,   0.122,  -0.167)  (  3.255,   0.122,  -0.167)  ( 0.15,  0.00,  0.00)
166:     angle   (  0.458,  -3.605,   6.307)  (  0.458,  -3.605,   6.308)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( -0.266,  -0.042,   0.065)  ( -0.266,  -0.042,   0.065)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.001,  -0.154,  -0.090)  (  0.001,  -0.153,  -0.090)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.001,  -0.093,  -0.053)  (  0.001,  -0.079,  -0.045)  ( 0.00,  0.13,  0.04)
166:     vdw     ( -0.044,   0.008,  -0.015)  ( -0.044,   0.008,  -0.015)  ( 0.00,  0.00,  0.00)
166:     electro ( -3.378,   3.559,  -6.174)  ( -3.378,   3.559,  -6.174)  ( 0.00,  0.00,  0.00)
166:  7       (  0.008,  -0.187,   0.604)  (  0.009,  -0.184,   0.605)  ( 0.00,  0.06,  0.03)
166:     bond    (  0.021,   0.069,  -0.002)  (  0.021,   0.073,  -0.002)  ( 0.00,  0.02,  0.00)
166:     angle   (  1.553,  -0.437,   0.860)  (  1.553,  -0.437,   0.860)  ( 0.03,  0.00,  0.04)
166:     strbnd  (  0.368,   0.645,  -0.047)  (  0.368,   0.645,  -0.047)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.043,  -0.004,   0.425)  (  0.043,  -0.004,   0.425)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.977,  -0.460,  -0.633)  ( -1.977,  -0.460,  -0.633)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  8       (  0.007,  -0.431,   0.471)  (  0.008,  -0.429,   0.474)  ( 0.00,  0.05,  0.12)
166:     bond    (  0.017,  -0.029,  -0.055)  (  0.018,  -0.028,  -0.053)  ( 0.00,  0.00,  0.01)
166:     angle   (  1.567,  -0.533,   0.815)  (  1.568,  -0.532,   0.815)  ( 0.03,  0.02,  0.01)
166:     strbnd  (  0.370,  -0.276,  -0.582)  (  0.370,  -0.276,  -0.582)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.044,  -0.368,   0.213)  (  0.044,  -0.368,   0.213)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.992,   0.775,   0.081)  ( -1.992,   0.775,   0.081)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  9       (  0.179,  -0.203,   0.341)  (  0.180,  -0.202,   0.343)  ( 0.02,  0.02,  0.08)
166:     bond    (  0.367,  -0.375,   0.641)  (  0.368,  -0.374,   0.643)  ( 0.02,  0.03,  0.13)
166:     angle   (  1.546,   0.380,  -0.664)  (  1.547,   0.380,  -0.664)  ( 0.03,  0.01,  0.01)
166:     strbnd  (  0.317,  -0.116,   0.199)  (  0.317,  -0.116,   0.199)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,   0.005,   0.003)  ( -0.000,   0.005,   0.003)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.052,  -0.097,   0.162)  ( -2.052,  -0.097,   0.162)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: ok 6 # gradients 
166: ok 7 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
162:     electro ( -0.954,   0.210,   0.013)  ( -0.954,   0.210,   0.013)  ( 0.00,  0.00,  0.00)
162: 25       (  1.717,  -7.297,   8.165)  (  1.725,  -7.292,   8.170)  ( 0.48,  0.07,  0.06)
162:     bond    ( -5.109,  -3.600,   3.593)  ( -5.102,  -3.596,   3.596)  ( 0.14,  0.10,  0.10)
162:     angle   (  7.750,  -2.293,   8.703)  (  7.751,  -2.291,   8.705)  ( 0.01,  0.08,  0.02)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.787,  -1.191,  -3.976)  ( -0.787,  -1.191,  -3.976)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.137,  -0.213,  -0.155)  ( -0.137,  -0.213,  -0.155)  ( 0.00,  0.00,  0.00)
162: 26       ( 19.499,  -4.596,  -0.325)  ( 19.508,  -4.593,  -0.317)  ( 0.05,  0.07,  0.25)
162:     bond    (  5.574,   2.012,   5.268)  (  5.581,   2.013,   5.275)  ( 0.13,  0.05,  0.12)
162:     angle   (-12.096,   7.610,   9.892)  (-12.095,   7.612,   9.894)  ( 0.01,  0.03,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 26.986, -14.368, -15.473)  ( 26.987, -14.368, -15.473)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.965,   0.151,  -0.012)  ( -0.965,   0.151,  -0.012)  ( 0.00,  0.00,  0.00)
162: 27       (  5.268,   8.549,  -3.580)  (  5.272,   8.559,  -3.576)  ( 0.07,  0.13,  0.11)
162:     bond    ( -2.739,   6.061,  -2.633)  ( -2.737,   6.071,  -2.631)  ( 0.08,  0.17,  0.07)
162:     angle   (  9.010,   4.695,   1.457)  (  9.012,   4.695,   1.459)  ( 0.02,  0.01,  0.14)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.860,  -2.190,  -2.096)  ( -0.860,  -2.190,  -2.096)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.142,  -0.017,  -0.308)  ( -0.142,  -0.017,  -0.308)  ( 0.00,  0.00,  0.00)
162: ok 34 # gradients 
162: ok 35 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (217.209, 187.514, 330.409)  (217.234, 187.528, 330.435)  ( 0.01,  0.01,  0.01)
162:     bond    (211.685, 155.105, 283.667)  (211.703, 155.111, 283.687)  ( 0.01,  0.00,  0.01)
162:     angle   ( -3.964,  51.185,  16.965)  ( -3.958,  51.192,  16.972)  ( 0.14,  0.01,  0.04)
162:     torsion ( -2.356, -23.585,  13.663)  ( -2.356, -23.584,  13.663)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  8.690,   6.517,  14.239)  (  8.691,   6.517,  14.240)  ( 0.00,  0.00,  0.00)
162:     electro (  3.155,  -1.708,   1.874)  (  3.155,  -1.708,   1.874)  ( 0.00,  0.00,  0.00)
162:  2       (-126.283,  23.279,  78.476)  (-126.255,  23.305,  78.505)  ( 0.02,  0.11,  0.04)
162:     bond    (-83.933,  34.546,  58.541)  (-83.914,  34.565,  58.559)  ( 0.02,  0.05,  0.03)
162:     angle   (-25.194, -15.507,  -5.861)  (-25.186, -15.499,  -5.852)  ( 0.03,  0.05,  0.16)
162:     torsion ( -0.848,   3.185,   0.882)  ( -0.847,   3.186,   0.883)  ( 0.01,  0.01,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-16.236,   0.628,  23.904)  (-16.236,   0.628,  23.905)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.073,   0.426,   1.009)  ( -0.073,   0.426,   1.009)  ( 0.00,  0.00,  0.00)
162:  3       (-101.376, -91.619,  80.919)  (-101.347, -91.592,  80.946)  ( 0.03,  0.03,  0.03)
162:     bond    (-54.446, -68.193,  60.016)  (-54.428, -68.175,  60.035)  ( 0.03,  0.03,  0.03)
162:     angle   (-20.728, -10.594,   8.671)  (-20.719, -10.586,   8.679)  ( 0.04,  0.08,  0.10)
162:     torsion ( -0.882,  -2.521,  -0.598)  ( -0.882,  -2.520,  -0.598)  ( 0.04,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-25.166, -10.358,  12.532)  (-25.165, -10.358,  12.532)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.154,   0.047,   0.298)  ( -0.154,   0.047,   0.298)  ( 0.00,  0.00,  0.00)
162:  4       ( -7.587,  36.159,  -0.492)  ( -7.564,  36.172,  -0.468)  ( 0.31,  0.04,  1.21)
162:     bond    (-11.839,  36.138,  -4.064)  (-11.823,  36.143,  -4.046)  ( 0.14,  0.01,  0.44)
162:     angle   ( 17.681,  -1.428,  19.899)  ( 17.688,  -1.421,  19.905)  ( 0.03,  0.51,  0.03)
162:     torsion ( -0.986,   6.062,   0.679)  ( -0.986,   6.063,   0.679)  ( 0.02,  0.01,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-11.762,  -4.223, -14.758)  (-11.761,  -4.223, -14.758)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.681,  -0.389,  -2.248)  ( -0.681,  -0.389,  -2.248)  ( 0.00,  0.00,  0.00)
162:  5       (113.406, -39.406, -104.121)  (113.433, -39.380, -104.093)  ( 0.02,  0.07,  0.03)
162:     bond    ( 80.632, -35.303, -58.525)  ( 80.651, -35.285, -58.507)  ( 0.02,  0.05,  0.03)
162:     angle   ( 14.870,  -2.308, -19.874)  ( 14.879,  -2.300, -19.865)  ( 0.06,  0.34,  0.05)
162:     torsion (  0.122,  -2.184,  -1.544)  (  0.123,  -2.184,  -1.543)  ( 0.00,  0.02,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 17.613,   0.250, -24.092)  ( 17.613,   0.250, -24.092)  ( 0.00,  0.00,  0.00)
162:     electro (  0.168,   0.139,  -0.086)  (  0.168,   0.139,  -0.086)  ( 0.00,  0.00,  0.00)
162:  6       ( 82.709,  70.383, -104.203)  ( 82.737,  70.410, -104.175)  ( 0.03,  0.04,  0.03)
162:     bond    ( 54.952,  69.597, -60.182)  ( 54.970,  69.616, -60.163)  ( 0.03,  0.03,  0.03)
162:     angle   ( -1.834,  -9.782, -31.818)  ( -1.825,  -9.774, -31.809)  ( 0.50,  0.08,  0.03)
162:     torsion (  2.726,   0.984,  -0.073)  (  2.727,   0.984,  -0.073)  ( 0.01,  0.04,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 26.430,   8.903, -12.275)  ( 26.431,   8.903, -12.275)  ( 0.00,  0.00,  0.00)
162:     electro (  0.434,   0.681,   0.145)  (  0.434,   0.681,   0.145)  ( 0.00,  0.00,  0.00)
162:  7       (-81.366, -64.293, -112.248)  (-81.339, -64.266, -112.220)  ( 0.03,  0.04,  0.02)
162:     bond    (-49.826, -55.720, -73.216)  (-49.807, -55.701, -73.197)  ( 0.04,  0.03,  0.03)
162:     angle   (-25.623,  -7.932, -31.950)  (-25.615,  -7.925, -31.942)  ( 0.03,  0.10,  0.03)
162:     torsion ( -0.025,   0.016,   0.004)  ( -0.025,   0.016,   0.004)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.002,  -0.680,  -7.188)  ( -6.002,  -0.680,  -7.188)  ( 0.00,  0.00,  0.00)
162:     electro (  0.110,   0.023,   0.102)  (  0.110,   0.023,   0.102)  ( 0.00,  0.00,  0.00)
162:  8       (-84.909, -97.294, -211.537)  (-84.886, -97.258, -211.505)  ( 0.03,  0.04,  0.02)
162:     bond    (-64.569, -159.993, -205.131)  (-64.552, -159.963, -205.104)  ( 0.03,  0.02,  0.01)
162:     angle   (-21.580,   8.756,  34.671)  (-21.575,   8.761,  34.675)  ( 0.02,  0.06,  0.01)
162:     torsion (  0.086,  52.261, -45.427)  (  0.086,  52.262, -45.427)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.392,   1.198,   4.044)  (  1.392,   1.198,   4.044)  ( 0.01,  0.01,  0.00)
162:     electro ( -0.238,   0.483,   0.307)  ( -0.238,   0.483,   0.307)  ( 0.00,  0.00,  0.00)
162:  9       ( 47.135, -20.490, -79.746)  ( 47.138, -20.486, -79.727)  ( 0.01,  0.02,  0.02)
162:     bond    ( 23.650,  25.473, -69.737)  ( 23.653,  25.475, -69.719)  ( 0.01,  0.01,  0.03)
162:     angle   (  7.691, -29.676,  -8.234)  (  7.692, -29.675,  -8.234)  ( 0.01,  0.00,  0.00)
162:     torsion ( 10.115, -17.057,  -2.801)  ( 10.114, -17.057,  -2.801)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.061,   1.628,   4.528)  (  6.061,   1.628,   4.528)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.382,  -0.857,  -3.501)  ( -0.382,  -0.857,  -3.501)  ( 0.00,  0.00,  0.00)
162: 10       ( 22.449, -68.998,   4.633)  ( 22.451, -68.976,   4.636)  ( 0.01,  0.03,  0.05)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vo6_m05.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vpn_4cs.sdf
166:  1       (  0.431,   0.382,   0.004)  (  0.436,   0.388,   0.009)  ( 0.22,  0.23,  0.00)
166:     bond    ( -4.893,   2.856,  -3.005)  ( -4.889,   2.861,  -3.000)  ( 0.09,  0.16,  0.15)
166:     angle   (  1.859,  -4.639,   2.751)  (  1.861,  -4.637,   2.752)  ( 0.10,  0.04,  0.06)
166:     strbnd  (  0.352,  -0.450,   0.642)  (  0.351,  -0.450,   0.641)  ( 0.05,  0.03,  0.04)
166:     torsion ( -0.296,  -0.439,   0.009)  ( -0.296,  -0.439,   0.009)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  5.689,   2.322,   0.608)  (  5.689,   2.322,   0.608)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.279,   0.731,  -1.001)  ( -2.279,   0.731,  -1.001)  ( 0.00,  0.00,  0.00)
166:  2       ( -0.776,  -0.622,  -0.218)  ( -0.780,  -0.606,  -0.189)  ( 0.23,  0.97,  0.62)
166:     bond    (  7.306,  -2.470,   3.157)  (  7.312,  -2.468,   3.158)  ( 0.07,  0.08,  0.02)
166:     angle   (  2.892,   8.647,  -4.003)  (  2.893,   8.648,  -4.002)  ( 0.01,  0.02,  0.01)
166:     strbnd  (-10.808,  -7.207,  -0.152)  (-10.809,  -7.207,  -0.152)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.221,   0.486,   0.955)  ( -0.221,   0.486,   0.955)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.054,  -0.078,  -0.175)  (  0.045,  -0.066,  -0.147)  ( 0.04,  0.09,  0.48)
166:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  3       (  0.077,  -0.215,  -0.263)  (  0.077,  -0.212,  -0.263)  ( 0.01,  0.07,  0.02)
166:     bond    (  0.045,   0.977,   0.187)  (  0.045,   0.980,   0.187)  ( 0.00,  0.32,  0.00)
166:     angle   ( -5.704,   0.511,  -1.299)  ( -5.703,   0.511,  -1.299)  ( 0.01,  0.00,  0.04)
166:     strbnd  ( -0.435,   0.449,  -0.226)  ( -0.435,   0.449,  -0.226)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.156,  -0.037,   0.231)  ( -0.156,  -0.037,   0.231)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  6.326,  -2.115,   0.844)  (  6.326,  -2.115,   0.844)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  4       ( -0.154,  -0.035,   0.283)  ( -0.151,  -0.034,   0.284)  ( 0.04,  0.00,  0.03)
166:     bond    ( -0.518,  -0.212,   0.225)  ( -0.515,  -0.211,   0.226)  ( 0.13,  0.01,  0.01)
166:     angle   (  0.309,  -0.045,   0.666)  (  0.310,  -0.044,   0.666)  ( 0.01,  0.00,  0.03)
166:     strbnd  ( -0.108,   0.417,  -0.398)  ( -0.108,   0.418,  -0.398)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.012,  -0.211,  -0.225)  ( -0.012,  -0.211,  -0.225)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.175,   0.014,   0.016)  (  0.175,   0.014,   0.016)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  5       ( -0.220,  -0.180,  -0.107)  ( -0.219,  -0.179,  -0.104)  ( 0.01,  0.01,  0.04)
166:     bond    (  0.005,  -0.076,  -0.456)  (  0.005,  -0.076,  -0.453)  ( 0.00,  0.00,  0.15)
166:     angle   ( -1.188,  -0.996,   0.154)  ( -1.187,  -0.996,   0.154)  ( 0.05,  0.05,  0.00)
166:     strbnd  ( -0.441,   0.249,  -0.473)  ( -0.441,   0.249,  -0.473)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.429,   0.568,  -0.091)  (  0.429,   0.568,  -0.091)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.975,   0.076,   0.758)  (  0.975,   0.076,   0.758)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  6       (  0.815,   1.141,  -0.215)  (  0.856,   1.101,  -0.316)  ( 3.35,  3.49,  2.17)
166:     bond    ( -0.770,  -0.798,   0.110)  ( -0.761,  -0.793,   0.112)  ( 0.74,  0.41,  0.02)
166:     angle   ( -6.533,  -4.058,  -0.587)  ( -6.531,  -4.056,  -0.587)  ( 0.02,  0.05,  0.02)
166:     strbnd  ( 13.048,   4.199,   2.149)  ( 13.046,   4.199,   2.149)  ( 0.02,  0.01,  0.01)
166:     torsion (  0.259,  -0.370,  -0.890)  (  0.259,  -0.370,  -0.889)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.183,   0.268,   0.599)  ( -0.151,   0.221,   0.495)  ( 0.59,  1.25,  6.20)
166:     vdw     ( -5.005,   1.900,  -1.595)  ( -5.005,   1.900,  -1.595)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  7       ( -0.169,  -0.110,  -0.044)  ( -0.176,  -0.088,   0.004)  ( 0.13,  0.25,  0.21)
166:     bond    ( -1.232,   0.565,  -0.626)  ( -1.226,   0.566,  -0.625)  ( 0.52,  0.08,  0.10)
166:     angle   ( -0.414,  -0.699,   0.179)  ( -0.414,  -0.698,   0.179)  ( 0.01,  0.04,  0.00)
166:     strbnd  ( -1.351,   0.487,  -0.628)  ( -1.351,   0.487,  -0.628)  ( 0.01,  0.00,  0.00)
166:     torsion ( -0.063,   0.092,   0.208)  ( -0.063,   0.092,   0.208)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.065,  -0.095,  -0.213)  (  0.051,  -0.074,  -0.167)  ( 0.09,  0.19,  0.98)
166:     vdw     ( -0.079,   0.007,  -0.027)  ( -0.079,   0.007,  -0.027)  ( 0.00,  0.00,  0.00)
166:     electro (  2.906,  -0.466,   1.064)  (  2.906,  -0.466,   1.064)  ( 0.00,  0.00,  0.00)
166:  8       ( -0.035,  -0.388,   0.541)  ( -0.043,  -0.371,   0.574)  ( 0.03,  0.66,  1.76)
166:     bond    (  0.028,  -0.862,   0.394)  (  0.028,  -0.860,   0.395)  ( 0.00,  0.24,  0.02)
166:     angle   (  8.772,   1.272,   2.136)  (  8.772,   1.272,   2.136)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( -0.253,   1.856,  -0.912)  ( -0.253,   1.856,  -0.912)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.061,  -0.089,  -0.197)  (  0.061,  -0.089,  -0.197)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.065,  -0.096,  -0.213)  (  0.055,  -0.081,  -0.181)  ( 0.06,  0.14,  0.68)
166:     vdw     ( -8.081,  -2.204,  -0.604)  ( -8.081,  -2.204,  -0.604)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.627,  -0.265,  -0.063)  ( -0.627,  -0.265,  -0.063)  ( 0.00,  0.00,  0.00)
166: ok 8 # gradients 
166: ok 9 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vpo_6cs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vpp_geo.sdf
166:  1       (  6.021,  -8.841,  15.336)  (  6.025,  -8.837,  15.339)  ( 0.07,  0.04,  0.02)
166:     bond    ( 13.697, -19.381,  33.622)  ( 13.700, -19.379,  33.624)  ( 0.02,  0.02,  0.01)
166:     angle   ( -4.188,   5.759,  -9.944)  ( -4.187,   5.761,  -9.942)  ( 0.03,  0.02,  0.02)
166:     strbnd  ( -3.294,   4.646,  -8.104)  ( -3.295,   4.645,  -8.105)  ( 0.02,  0.01,  0.01)
166:     torsion ( -0.194,   0.135,  -0.238)  ( -0.194,   0.135,  -0.238)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  2       ( -9.933,  -2.704,   4.639)  ( -9.929,  -2.699,   4.644)  ( 0.04,  0.19,  0.11)
166:     bond    (-13.151,   0.001,   0.002)  (-13.148,   0.005,   0.006)  ( 0.03,  0.00,  0.00)
166:     angle   ( -5.431,  -2.186,   3.739)  ( -5.429,  -2.184,   3.741)  ( 0.03,  0.08,  0.04)
166:     strbnd  (  4.098,  -2.031,   3.530)  (  4.097,  -2.031,   3.529)  ( 0.04,  0.02,  0.01)
166:     torsion ( -0.000,   0.166,  -0.285)  (  0.000,   0.166,  -0.285)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  3       (  3.813,   8.396,   5.795)  (  3.819,   8.400,   5.800)  ( 0.14,  0.05,  0.09)
166:     bond    (  4.362,  12.392,  -0.017)  (  4.366,  12.395,  -0.013)  ( 0.09,  0.03,  0.01)
166:     angle   (  3.888,   4.351,   3.744)  (  3.890,   4.353,   3.746)  ( 0.05,  0.04,  0.04)
166:     strbnd  (  0.568,  -4.531,   3.529)  (  0.568,  -4.532,   3.529)  ( 0.03,  0.03,  0.01)
166:     torsion (  0.479,  -0.170,   0.882)  (  0.479,  -0.170,   0.882)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  4       (  3.726,  -9.185,  -4.409)  (  3.731,  -9.180,  -4.405)  ( 0.14,  0.05,  0.09)
166:     bond    (  4.377,  -6.197, -10.754)  (  4.381,  -6.194, -10.751)  ( 0.09,  0.06,  0.03)
166:     angle   (  3.836,  -5.397,  -1.958)  (  3.837,  -5.396,  -1.956)  ( 0.05,  0.03,  0.09)
166:     strbnd  (  0.555,  -0.774,   5.727)  (  0.555,  -0.774,   5.725)  ( 0.03,  0.04,  0.02)
166:     torsion (  0.478,  -0.675,   0.585)  (  0.478,  -0.675,   0.585)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  5       ( -2.313,  28.066,   0.105)  ( -2.312,  28.068,   0.106)  ( 0.04,  0.01,  0.01)
166:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
166:     angle   (  1.760,   0.623,  -0.007)  (  1.760,   0.623,  -0.006)  ( 0.03,  0.00,  0.00)
166:     strbnd  ( -1.908,  -0.349,   0.000)  ( -1.908,  -0.349,   0.000)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.000,   0.152)  (  0.000,   0.000,   0.152)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  6       ( -9.233, -13.275,  23.034)  ( -9.232, -13.274,  23.036)  ( 0.01,  0.01,  0.01)
166:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
166:     angle   (  1.828,  -0.303,   0.571)  (  1.829,  -0.302,   0.572)  ( 0.02,  0.01,  0.01)
166:     strbnd  ( -1.910,   0.171,  -0.295)  ( -1.910,   0.171,  -0.295)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  7       ( -2.162, -14.129, -24.316)  ( -2.161, -14.129, -24.314)  ( 0.04,  0.01,  0.01)
166:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
166:     angle   (  1.840,  -0.299,  -0.578)  (  1.840,  -0.299,  -0.578)  ( 0.02,  0.01,  0.01)
166:     strbnd  ( -1.909,   0.172,   0.297)  ( -1.909,   0.172,   0.297)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.133,   0.077)  (  0.000,  -0.133,   0.077)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  8       ( 27.568,  -1.841,  -1.569)  ( 27.570,  -1.840,  -1.569)  ( 0.01,  0.04,  0.04)
166:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
166:     angle   ( -0.000,  -1.856,  -0.010)  (  0.000,  -1.856,  -0.009)  ( 0.00,  0.03,  0.00)
166:     strbnd  (  0.304,   1.915,  -0.000)  (  0.304,   1.915,  -0.000)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.000,  -0.469)  (  0.000,   0.000,  -0.469)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  9       (-11.584,  11.851,  21.981)  (-11.583,  11.852,  21.983)  ( 0.01,  0.01,  0.01)
166:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
166:     angle   ( -0.885,  -1.619,   0.574)  ( -0.885,  -1.619,   0.574)  ( 0.03,  0.02,  0.01)
166:     strbnd  (  0.798,   1.743,  -0.296)  (  0.798,   1.743,  -0.296)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.382,   0.135,  -0.234)  ( -0.382,   0.135,  -0.234)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 10       (-10.930,   9.420, -22.678)  (-10.929,   9.421, -22.676)  ( 0.01,  0.01,  0.01)
166:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
166:     angle   ( -0.882,  -1.631,  -0.581)  ( -0.882,  -1.630,  -0.581)  ( 0.03,  0.02,  0.01)
166:     strbnd  (  0.799,   1.742,   0.299)  (  0.799,   1.742,   0.299)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.001,  -0.000,  -0.001)  (  0.001,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 11       ( 27.570,   2.262,   0.809)  ( 27.573,   2.263,   0.809)  ( 0.01,  0.03,  0.05)
166:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
166:     angle   (  0.001,   0.926,   1.618)  (  0.001,   0.926,   1.618)  ( 0.00,  0.04,  0.03)
166:     strbnd  (  0.305,  -0.958,  -1.660)  (  0.305,  -0.958,  -1.660)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,   0.407,  -0.235)  ( -0.000,   0.407,  -0.235)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 12       (-10.972,  14.917, -19.519)  (-10.971,  14.918, -19.517)  ( 0.01,  0.01,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vpr_tdc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vq5_hba.sdf
166:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
166:     angle   ( -0.889,   1.308,   1.118)  ( -0.889,   1.309,   1.119)  ( 0.03,  0.03,  0.02)
166:     strbnd  (  0.798,  -1.129,  -1.364)  (  0.798,  -1.129,  -1.364)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 13       (-11.601, -24.965,   0.763)  (-11.600, -24.963,   0.763)  ( 0.01,  0.01,  0.05)
166:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
166:     angle   ( -0.888,   0.315,   1.704)  ( -0.887,   0.315,   1.705)  ( 0.03,  0.00,  0.03)
166:     strbnd  (  0.799,  -0.614,  -1.659)  (  0.799,  -0.614,  -1.659)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.381,   0.135,  -0.233)  ( -0.381,   0.135,  -0.233)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: ok 10 # gradients 
166: ok 11 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vqo_tfg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vqv_ha3.sdf
166:  1       (-94.849, 134.077, -232.261)  (-94.840, 134.085, -232.257)  ( 0.01,  0.01,  0.00)
166:     bond    (-98.615, 139.541, -241.698)  (-98.607, 139.548, -241.694)  ( 0.01,  0.01,  0.00)
166:     angle   (-17.077,  24.042, -41.606)  (-17.076,  24.043, -41.605)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( 20.845, -29.505,  51.044)  ( 20.845, -29.506,  51.044)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.002,  -0.001,  -0.002)  ( -0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  2       (267.229,   1.097,  -1.985)  (267.239,   1.101,  -1.981)  ( 0.00,  0.37,  0.20)
166:     bond    (324.092,   0.002,   0.003)  (324.102,   0.005,   0.006)  ( 0.00,  0.00,  0.00)
166:     angle   ( -7.067,  -9.049,  15.613)  ( -7.066,  -9.047,  15.614)  ( 0.02,  0.02,  0.01)
166:     strbnd  (-54.347,   8.796, -15.254)  (-54.349,   8.796, -15.255)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,   0.001,  -0.000)  (  0.000,   0.001,  -0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  3       (-92.994, -251.370,  -1.993)  (-92.989, -251.361,  -1.989)  ( 0.01,  0.00,  0.20)
166:     bond    (-108.221, -305.529,  -0.016)  (-108.218, -305.520,  -0.013)  ( 0.00,  0.00,  0.00)
166:     angle   ( 10.871,   3.619,  15.618)  ( 10.872,   3.621,  15.619)  ( 0.01,  0.04,  0.01)
166:     strbnd  (  9.840,  54.186, -15.254)  (  9.840,  54.184, -15.254)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.001,  -0.000,   0.003)  (  0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  4       (-92.879, 127.455, 216.653)  (-92.874, 127.461, 216.661)  ( 0.01,  0.00,  0.00)
166:     bond    (-107.982, 152.791, 264.561)  (-107.978, 152.795, 264.568)  ( 0.00,  0.00,  0.00)
166:     angle   ( 10.825, -15.317,   4.617)  ( 10.827, -15.315,   4.619)  ( 0.01,  0.01,  0.03)
166:     strbnd  (  9.798, -13.878, -54.515)  (  9.798, -13.878, -54.516)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  5       ( 14.020,  33.684,  -0.046)  ( 14.021,  33.686,  -0.046)  ( 0.01,  0.01,  0.00)
166:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
166:     angle   (  2.316,   0.820,  -0.007)  (  2.316,   0.820,  -0.006)  ( 0.02,  0.00,  0.00)
166:     strbnd  ( 13.869,   5.072,   0.000)  ( 13.869,   5.072,   0.000)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  6       (  7.090, -16.075,  27.884)  (  7.091, -16.074,  27.886)  ( 0.01,  0.01,  0.01)
166:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
166:     angle   (  2.371,  -0.399,   0.737)  (  2.371,  -0.398,   0.737)  ( 0.02,  0.01,  0.01)
166:     strbnd  ( 13.871,  -2.534,   4.389)  ( 13.871,  -2.534,   4.389)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  7       ( 14.159, -16.794, -29.238)  ( 14.160, -16.793, -29.236)  ( 0.01,  0.01,  0.01)
166:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
166:     angle   (  2.378,  -0.394,  -0.743)  (  2.378,  -0.394,  -0.742)  ( 0.02,  0.01,  0.01)
166:     strbnd  ( 13.873,  -2.530,  -4.384)  ( 13.873,  -2.530,  -4.384)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.001,   0.000)  (  0.000,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  8       ( 27.412, -19.113,  -1.101)  ( 27.414, -19.112,  -1.100)  ( 0.01,  0.00,  0.05)
166:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
166:     angle   ( -0.000,  -2.447,  -0.010)  (  0.000,  -2.447,  -0.009)  ( 0.00,  0.02,  0.00)
166:     strbnd  (  0.148, -14.767,  -0.000)  (  0.148, -14.767,  -0.000)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  9       (-19.291,  -2.738,  27.067)  (-19.291,  -2.737,  27.069)  ( 0.00,  0.04,  0.01)
166:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
166:     angle   ( -1.157,  -2.100,   0.740)  ( -1.157,  -2.099,   0.740)  ( 0.03,  0.02,  0.01)
166:     strbnd  ( -7.020, -12.229,   4.389)  ( -7.020, -12.229,   4.389)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 10       (-19.016,  -5.032, -27.526)  (-19.015,  -5.031, -27.524)  ( 0.00,  0.02,  0.01)
166:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
166:     angle   ( -1.152,  -2.108,  -0.747)  ( -1.152,  -2.107,  -0.746)  ( 0.03,  0.02,  0.01)
166:     strbnd  ( -7.016, -12.234,  -4.385)  ( -7.016, -12.234,  -4.385)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.001,  -0.000,  -0.000)  (  0.001,  -0.000,  -0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 11       ( 27.424,  10.493,  15.999)  ( 27.427,  10.494,  16.000)  ( 0.01,  0.01,  0.00)
166:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
166:     angle   (  0.001,   1.221,   2.128)  (  0.001,   1.221,   2.129)  ( 0.00,  0.03,  0.02)
166:     strbnd  (  0.159,   7.384,  12.785)  (  0.159,   7.384,  12.785)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 12       (-19.052,  26.348,  -9.424)  (-19.051,  26.349,  -9.422)  ( 0.00,  0.00,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vrj_ncw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vrx_447.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vsu_v55.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vtd_lkm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vte_ik4.sdf
163:     bond    (-35.273, -59.048,  -4.681)  (-35.239, -59.012,  -4.645)  ( 0.10,  0.06,  0.77)
163:     angle   (  2.958,  -4.652,  -6.413)  (  2.968,  -4.643,  -6.403)  ( 0.35,  0.21,  0.15)
163:     torsion (-10.119,   7.010,  -5.676)  (-10.119,   7.010,  -5.676)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.723,  -1.168,   1.011)  ( -0.723,  -1.168,   1.011)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       (-100.883,  87.937,  23.820)  (-100.833,  87.984,  23.865)  ( 0.05,  0.05,  0.19)
163:     bond    (-17.248,  54.348,  -8.568)  (-17.211,  54.384,  -8.534)  ( 0.21,  0.07,  0.40)
163:     angle   (-68.485,  29.034,  43.678)  (-68.473,  29.044,  43.688)  ( 0.02,  0.04,  0.02)
163:     torsion (-12.304,   3.441,  -6.010)  (-12.304,   3.441,  -6.009)  ( 0.00,  0.01,  0.01)
163:     vdw     ( -2.845,   1.115,  -5.280)  ( -2.845,   1.115,  -5.280)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       ( 83.272,  35.908, -40.149)  ( 83.320,  35.955, -40.100)  ( 0.06,  0.13,  0.12)
163:     bond    ( 87.746, -16.745,  66.765)  ( 87.783, -16.709,  66.800)  ( 0.04,  0.21,  0.05)
163:     angle   ( -1.809,  46.196, -96.218)  ( -1.799,  46.206, -96.206)  ( 0.56,  0.02,  0.01)
163:     torsion (  0.427,   6.068,  -7.908)  (  0.427,   6.068,  -7.908)  ( 0.01,  0.01,  0.01)
163:     vdw     ( -3.092,   0.390,  -2.787)  ( -3.091,   0.390,  -2.787)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       ( 89.504, -10.397,  77.576)  ( 89.552, -10.348,  77.622)  ( 0.05,  0.47,  0.06)
163:     bond    (123.465,  45.957,   9.509)  (123.502,  45.993,   9.544)  ( 0.03,  0.08,  0.38)
163:     angle   (-29.372, -47.675,  85.067)  (-29.361, -47.662,  85.076)  ( 0.04,  0.03,  0.01)
163:     torsion ( -2.621,  -5.704, -17.085)  ( -2.620,  -5.703, -17.083)  ( 0.01,  0.01,  0.01)
163:     vdw     ( -1.968,  -2.976,   0.085)  ( -1.968,  -2.976,   0.085)  ( 0.01,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (-16.876, 120.283, -38.120)  (-16.799, 120.339, -38.106)  ( 0.46,  0.05,  0.03)
163:     bond    (-49.888, 112.320, -15.047)  (-49.824, 112.364, -15.045)  ( 0.13,  0.04,  0.02)
163:     angle   ( 29.879,  10.202, -44.047)  ( 29.891,  10.213, -44.044)  ( 0.04,  0.11,  0.01)
163:     torsion (  2.169,   4.373,  21.249)  (  2.169,   4.374,  21.256)  ( 0.01,  0.01,  0.03)
163:     vdw     (  0.964,  -6.612,  -0.274)  (  0.964,  -6.612,  -0.274)  ( 0.02,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       (-12.755,  -8.547,  19.128)  (-12.683,  -8.491,  19.140)  ( 0.56,  0.65,  0.07)
163:     bond    (-33.935,  21.618,  -4.334)  (-33.870,  21.663,  -4.332)  ( 0.19,  0.21,  0.04)
163:     angle   ( 18.512, -26.882,  13.525)  ( 18.518, -26.871,  13.527)  ( 0.03,  0.04,  0.01)
163:     torsion ( -1.569,  -1.258,   8.280)  ( -1.569,  -1.258,   8.289)  ( 0.00,  0.02,  0.11)
163:     vdw     (  3.877,  -1.998,   1.768)  (  3.877,  -1.997,   1.768)  ( 0.00,  0.01,  0.00)
163:     electro (  0.360,  -0.027,  -0.111)  (  0.360,  -0.027,  -0.111)  ( 0.00,  0.00,  0.00)
163:  7       ( 16.723, -19.158, -22.610)  ( 16.771, -19.109, -22.565)  ( 0.29,  0.25,  0.20)
163:     bond    (-40.310,  17.683,   2.533)  (-40.275,  17.720,   2.569)  ( 0.09,  0.21,  1.42)
163:     angle   ( 56.487, -28.902, -14.426)  ( 56.499, -28.891, -14.419)  ( 0.02,  0.04,  0.05)
163:     torsion (  0.746,  -4.538, -14.758)  (  0.747,  -4.538, -14.757)  ( 0.02,  0.00,  0.01)
163:     vdw     ( -0.200,  -3.401,   4.042)  ( -0.200,  -3.401,   4.043)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       (-77.334,  40.329,  40.858)  (-77.286,  40.377,  40.905)  ( 0.06,  0.12,  0.12)
163:     bond    (-39.454,  13.633, -79.926)  (-39.418,  13.669, -79.890)  ( 0.09,  0.26,  0.05)
163:     angle   (-37.693,  29.316, 117.397)  (-37.682,  29.327, 117.407)  ( 0.03,  0.04,  0.01)
163:     torsion ( -2.457,  -0.129,   5.851)  ( -2.457,  -0.129,   5.852)  ( 0.02,  0.01,  0.02)
163:     vdw     (  2.270,  -2.491,  -2.463)  (  2.271,  -2.491,  -2.463)  ( 0.01,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  9       (-32.727,  72.726, -92.423)  (-32.676,  72.773, -92.377)  ( 0.15,  0.06,  0.05)
163:     bond    (-70.963,  69.134, -38.807)  (-70.925,  69.169, -38.773)  ( 0.05,  0.05,  0.09)
163:     angle   ( 35.155,  12.704, -44.465)  ( 35.166,  12.715, -44.454)  ( 0.03,  0.09,  0.02)
163:     torsion (  1.189,  -6.727, -14.033)  (  1.189,  -6.727, -14.032)  ( 0.04,  0.01,  0.01)
163:     vdw     (  1.893,  -2.384,   4.882)  (  1.893,  -2.384,   4.882)  ( 0.01,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 10       ( 44.464, -48.929,  61.410)  ( 44.508, -48.879,  61.457)  ( 0.10,  0.10,  0.08)
163:     bond    ( 67.926,  38.675,   8.425)  ( 67.960,  38.713,   8.462)  ( 0.05,  0.10,  0.44)
163:     angle   (-27.457, -76.524,  61.567)  (-27.447, -76.512,  61.578)  ( 0.04,  0.02,  0.02)
163:     torsion ( -0.580,  -7.062,  -4.838)  ( -0.580,  -7.062,  -4.838)  ( 0.01,  0.00,  0.00)
163:     vdw     (  4.575,  -4.018,  -3.745)  (  4.575,  -4.018,  -3.744)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       ( 38.280,  17.925,   3.568)  ( 38.330,  17.968,   3.615)  ( 0.13,  0.24,  1.30)
163:     bond    (-69.082, -10.191, -36.229)  (-69.044, -10.157, -36.192)  ( 0.05,  0.33,  0.10)
163:     angle   (107.978,  26.787,  34.426)  (107.991,  26.797,  34.436)  ( 0.01,  0.04,  0.03)
163:     torsion ( -1.672,   4.500,   7.054)  ( -1.673,   4.500,   7.054)  ( 0.01,  0.00,  0.00)
163:     vdw     (  1.056,  -3.172,  -1.683)  (  1.056,  -3.172,  -1.683)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (-98.542,  74.045,   2.083)  (-98.495,  74.097,   2.128)  ( 0.05,  0.07,  2.18)
163:     bond    (-141.621, 186.409,  73.122)  (-141.586, 186.449,  73.158)  ( 0.02,  0.02,  0.05)
163:     angle   ( 34.325, -116.783, -77.784)  ( 34.337, -116.772, -77.775)  ( 0.03,  0.01,  0.01)
163:     torsion (  5.221,   5.365,   2.771)  (  5.221,   5.366,   2.771)  ( 0.00,  0.01,  0.01)
163:     vdw     (  3.533,  -0.946,   3.974)  (  3.533,  -0.946,   3.974)  ( 0.00,  0.02,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 13       ( 36.346, -83.238,  61.357)  ( 36.394, -83.190,  61.402)  ( 0.13,  0.06,  0.07)
163:     bond    (147.059, -249.016,  46.400)  (147.096, -248.980,  46.437)  ( 0.03,  0.01,  0.08)
163:     angle   (-110.087, 158.572,  20.299)  (-110.076, 158.583,  20.307)  ( 0.01,  0.01,  0.04)
163:     torsion ( -0.419,   7.923,  -3.565)  ( -0.419,   7.923,  -3.565)  ( 0.01,  0.01,  0.01)
163:     vdw     ( -0.207,  -0.717,  -1.777)  ( -0.207,  -0.717,  -1.777)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 14       (-48.694, -19.654, -22.015)  (-48.645, -19.604, -21.969)  ( 0.10,  0.25,  0.21)
163:     bond    (-177.197, 144.883, -85.836)  (-177.159, 144.920, -85.800)  ( 0.02,  0.03,  0.04)
163:     angle   (124.575, -165.352,  61.932)  (124.586, -165.340,  61.941)  ( 0.01,  0.01,  0.01)
163:     torsion (  3.993,  -1.169,  -0.328)  (  3.993,  -1.169,  -0.328)  ( 0.01,  0.03,  0.02)
163:     vdw     ( -0.065,   1.984,   2.217)  ( -0.065,   1.985,   2.217)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 15       (-71.792, -15.511,   1.596)  (-71.745, -15.461,   1.641)  ( 0.07,  0.32,  2.85)
163:     bond    ( 20.082, -185.807,  55.479)  ( 20.118, -185.771,  55.516)  ( 0.18,  0.02,  0.07)
163:     angle   (-91.970, 175.343, -54.362)  (-91.959, 175.356, -54.354)  ( 0.01,  0.01,  0.01)
163:     torsion ( -3.370,   1.693,  -3.891)  ( -3.369,   1.694,  -3.891)  ( 0.01,  0.02,  0.02)
163:     vdw     (  3.466,  -6.740,   4.370)  (  3.466,  -6.740,   4.370)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 16       ( 51.385, -21.587,  21.356)  ( 51.434, -21.539,  21.402)  ( 0.10,  0.22,  0.21)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vu1_opi.sdf
162:     bond    (  7.092, -71.602,  11.127)  (  7.093, -71.580,  11.128)  ( 0.01,  0.03,  0.01)
162:     angle   ( 25.125,  -1.719, -27.071)  ( 25.126,  -1.719, -27.069)  ( 0.01,  0.00,  0.01)
162:     torsion ( -6.304,   2.008,  16.933)  ( -6.304,   2.008,  16.933)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.779,   5.337,   5.446)  ( -3.778,   5.337,   5.446)  ( 0.01,  0.00,  0.00)
162:     electro (  0.314,  -3.023,  -1.802)  (  0.314,  -3.023,  -1.802)  ( 0.00,  0.00,  0.00)
162: 11       (-91.763,  -3.754,  31.627)  (-91.731,  -3.718,  31.634)  ( 0.04,  0.95,  0.02)
162:     bond    (-115.629,  31.876,  11.097)  (-115.607,  31.903,  11.099)  ( 0.02,  0.09,  0.02)
162:     angle   ( 40.424, -23.656,  -4.616)  ( 40.434, -23.649,  -4.615)  ( 0.02,  0.03,  0.02)
162:     torsion ( -3.029, -18.365,  20.747)  ( -3.029, -18.365,  20.751)  ( 0.00,  0.00,  0.02)
162:     oop     (  0.009,   0.135,  -0.575)  (  0.009,   0.135,  -0.575)  ( 0.00,  0.00,  0.01)
162:     vdw     (-16.945,   5.217,   3.707)  (-16.944,   5.217,   3.707)  ( 0.00,  0.00,  0.00)
162:     electro (  3.407,   1.040,   1.267)  (  3.407,   1.040,   1.267)  ( 0.00,  0.00,  0.00)
162: 12       (-16.917,   0.368,  -2.780)  (-16.880,   0.403,  -2.771)  ( 0.22,  1.29,  0.30)
162:     bond    ( -8.035, -13.185,  -3.327)  ( -8.007, -13.159,  -3.325)  ( 0.34,  0.20,  0.05)
162:     angle   (  6.508,  32.172,   7.826)  (  6.518,  32.180,   7.827)  ( 0.14,  0.03,  0.01)
162:     torsion (  0.011,   0.610,  -2.907)  (  0.011,   0.610,  -2.901)  ( 0.00,  0.02,  0.19)
162:     oop     ( -0.005,   0.065,  -0.288)  ( -0.005,   0.066,  -0.287)  ( 0.00,  0.00,  0.02)
162:     vdw     (-15.584, -19.036,  -3.769)  (-15.584, -19.036,  -3.769)  ( 0.00,  0.00,  0.00)
162:     electro (  0.187,  -0.259,  -0.316)  (  0.187,  -0.259,  -0.316)  ( 0.00,  0.00,  0.00)
162: 13       ( 11.270, -95.690, -41.525)  ( 11.309, -95.656, -41.516)  ( 0.34,  0.04,  0.02)
162:     bond    ( 28.466,  16.983,   3.015)  ( 28.496,  17.006,   3.017)  ( 0.11,  0.14,  0.06)
162:     angle   (  3.964, -95.948, -24.764)  (  3.972, -95.938, -24.764)  ( 0.19,  0.01,  0.00)
162:     torsion ( -0.141,   1.849,  -7.029)  ( -0.141,   1.849,  -7.023)  ( 0.00,  0.02,  0.08)
162:     oop     ( -0.018,   0.196,  -0.781)  ( -0.018,   0.196,  -0.780)  ( 0.00,  0.00,  0.06)
162:     vdw     (-21.669, -18.406, -11.846)  (-21.669, -18.406, -11.846)  ( 0.00,  0.00,  0.00)
162:     electro (  0.669,  -0.364,  -0.121)  (  0.669,  -0.364,  -0.121)  ( 0.00,  0.00,  0.00)
162: 14       (-140.188,  98.160,  73.920)  (-140.150,  98.198,  73.928)  ( 0.03,  0.04,  0.01)
162:     bond    (-82.770,  58.919,  18.111)  (-82.743,  58.946,  18.113)  ( 0.03,  0.05,  0.01)
162:     angle   (-60.873,  53.130,  19.549)  (-60.863,  53.140,  19.549)  ( 0.02,  0.02,  0.00)
162:     torsion ( -0.379, -11.956,  45.545)  ( -0.379, -11.955,  45.551)  ( 0.00,  0.00,  0.01)
162:     oop     (  0.007,  -0.075,   0.304)  (  0.007,  -0.075,   0.304)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.636,  -3.098,  -8.519)  (  6.637,  -3.098,  -8.519)  ( 0.01,  0.01,  0.00)
162:     electro ( -2.809,   1.240,  -1.070)  ( -2.809,   1.240,  -1.070)  ( 0.00,  0.00,  0.00)
162: 15       (232.724, 225.345,  56.880)  (232.765, 225.385,  56.890)  ( 0.02,  0.02,  0.02)
162:     bond    (208.431, 186.218,  54.498)  (208.462, 186.248,  54.502)  ( 0.01,  0.02,  0.01)
162:     angle   (  7.144,  16.209,  14.422)  (  7.154,  16.218,  14.423)  ( 0.14,  0.06,  0.01)
162:     torsion (  0.685,   3.522, -15.763)  (  0.685,   3.523, -15.757)  ( 0.01,  0.02,  0.03)
162:     oop     (  0.010,   0.195,  -0.759)  (  0.010,   0.195,  -0.758)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 19.014,  18.420,   4.425)  ( 19.014,  18.420,   4.425)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.560,   0.781,   0.056)  ( -2.560,   0.781,   0.056)  ( 0.00,  0.00,  0.00)
162: 16       (-27.321,  38.880,  -5.682)  (-27.282,  38.914,  -5.673)  ( 0.14,  0.09,  0.16)
162:     bond    ( 42.454,  -0.705,   1.999)  ( 42.484,  -0.682,   2.001)  ( 0.07,  1.62,  0.10)
162:     angle   (-46.803,  20.940,   4.807)  (-46.795,  20.950,   4.808)  ( 0.02,  0.05,  0.01)
162:     torsion (  0.606,   6.259, -22.040)  (  0.606,   6.259, -22.034)  ( 0.00,  0.01,  0.03)
162:     oop     ( -0.035,  -0.633,   2.435)  ( -0.035,  -0.633,   2.436)  ( 0.00,  0.00,  0.03)
162:     vdw     (-23.572,  13.279,   7.220)  (-23.571,  13.280,   7.220)  ( 0.00,  0.01,  0.00)
162:     electro (  0.029,  -0.261,  -0.103)  (  0.029,  -0.261,  -0.103)  ( 0.00,  0.00,  0.00)
162: 17       (-34.139,  -6.910,  -2.404)  (-34.120,  -6.891,  -2.401)  ( 0.06,  0.27,  0.15)
162:     bond    (-16.269,  56.492,   4.485)  (-16.253,  56.504,   4.485)  ( 0.10,  0.02,  0.00)
162:     angle   ( -8.391,  -9.142,   8.465)  ( -8.388,  -9.137,   8.467)  ( 0.04,  0.06,  0.02)
162:     torsion ( -0.305,  -1.435,   4.824)  ( -0.305,  -1.435,   4.825)  ( 0.00,  0.00,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -6.781, -48.880, -28.596)  ( -6.781, -48.878, -28.596)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.393,  -3.945,   8.418)  ( -2.393,  -3.945,   8.418)  ( 0.00,  0.00,  0.00)
162: 18       (146.126, -63.992, -117.741)  (146.152, -63.966, -117.715)  ( 0.02,  0.04,  0.02)
162:     bond    ( 60.804, -67.609, -76.802)  ( 60.822, -67.592, -76.783)  ( 0.03,  0.03,  0.02)
162:     angle   ( 50.538,   6.452, -38.791)  ( 50.546,   6.461, -38.783)  ( 0.02,  0.14,  0.02)
162:     torsion (  1.410,  -0.020,  -3.542)  (  1.410,  -0.020,  -3.541)  ( 0.02,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 31.773,  -2.217,   1.567)  ( 31.774,  -2.217,   1.566)  ( 0.00,  0.00,  0.00)
162:     electro (  1.601,  -0.598,  -0.174)  (  1.601,  -0.598,  -0.174)  ( 0.00,  0.00,  0.00)
162: 19       (-12.259, -67.676, 112.616)  (-12.232, -67.650, 112.643)  ( 0.22,  0.04,  0.02)
162:     bond    ( -2.071, -43.907,  76.597)  ( -2.053, -43.888,  76.616)  ( 0.91,  0.04,  0.02)
162:     angle   (-16.897, -16.971,  31.218)  (-16.889, -16.963,  31.226)  ( 0.04,  0.04,  0.03)
162:     torsion ( -1.851,  -0.486,  -0.491)  ( -1.851,  -0.485,  -0.491)  ( 0.01,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  9.091,  -6.867,   5.637)  (  9.091,  -6.867,   5.637)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.531,   0.554,  -0.344)  ( -0.531,   0.554,  -0.344)  ( 0.00,  0.00,  0.00)
162: 20       (-413.734, -385.279, -145.698)  (-413.703, -385.240, -145.691)  ( 0.01,  0.01,  0.01)
162:     bond    (-403.589, -414.547, -130.803)  (-403.566, -414.518, -130.800)  ( 0.01,  0.01,  0.00)
162:     angle   ( 12.719,  44.244, -14.018)  ( 12.726,  44.252, -14.017)  ( 0.05,  0.02,  0.01)
162:     torsion ( -3.504,   1.828,   4.666)  ( -3.503,   1.828,   4.670)  ( 0.03,  0.01,  0.08)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-22.891, -15.051,  -5.706)  (-22.890, -15.050,  -5.706)  ( 0.00,  0.00,  0.00)
162:     electro (  3.530,  -1.753,   0.162)  (  3.530,  -1.753,   0.162)  ( 0.00,  0.00,  0.00)
162: 21       ( 69.031, 439.916,  27.194)  ( 69.050, 439.947,  27.199)  ( 0.03,  0.01,  0.02)
162:     bond    (105.109, 354.969,  20.611)  (105.119, 354.998,  20.612)  ( 0.01,  0.01,  0.01)
162:     angle   (-38.753,  59.524, -20.345)  (-38.746,  59.526, -20.344)  ( 0.02,  0.00,  0.00)
162:     torsion (-12.418,   1.804,  34.038)  (-12.418,   1.804,  34.040)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 19.702,  24.237,  -7.723)  ( 19.703,  24.238,  -7.723)  ( 0.01,  0.00,  0.00)
162:     electro ( -4.609,  -0.619,   0.613)  ( -4.609,  -0.619,   0.613)  ( 0.00,  0.00,  0.00)
162: 22       (-319.638, -256.278, -99.435)  (-319.607, -256.241, -99.429)  ( 0.01,  0.01,  0.01)
162:     bond    (-309.224, -196.267, -103.821)  (-309.200, -196.240, -103.818)  ( 0.01,  0.01,  0.00)
162:     angle   (  0.878, -118.814,  10.313)  (  0.885, -118.806,  10.312)  ( 0.62,  0.01,  0.01)
162:     torsion (  0.525,  -0.158,  -1.178)  (  0.526,  -0.158,  -1.175)  ( 0.02,  0.00,  0.22)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-12.918,  62.748,  -5.117)  (-12.918,  62.750,  -5.117)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vu2_pn5.sdf
166:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
166:     angle   ( -1.160,   1.692,   1.451)  ( -1.160,   1.692,   1.451)  ( 0.03,  0.02,  0.01)
166:     strbnd  ( -7.010,   9.918,   8.398)  ( -7.010,   9.918,   8.398)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 13       (-19.294, -22.069,  15.940)  (-19.293, -22.066,  15.940)  ( 0.00,  0.01,  0.00)
166:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
166:     angle   ( -1.157,   0.410,   2.200)  ( -1.157,   0.410,   2.200)  ( 0.03,  0.00,  0.02)
166:     strbnd  ( -7.007,   2.322,  12.788)  ( -7.007,   2.322,  12.788)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.002,  -0.001,   0.001)  (  0.002,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: ok 12 # gradients 
166: ok 13 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vuk_p83.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vur_yx1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vv9_im9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vvc_lzf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vvn_nht.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vvo_a6p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vvp_r52.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vvq_r10.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vvt_i24.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vvu_h22.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vvv_h21.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vw5_bc6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vwc_bc2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vwl_lzh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vwn_h25.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vwo_lzg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vwu_7x1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vwv_7x3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vww_7x2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vwx_7x4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vwy_7x5.sdf
162:     electro (  1.100,  -3.786,   0.369)  (  1.100,  -3.786,   0.369)  ( 0.00,  0.00,  0.00)
162: 23       ( 60.304,  68.497,  13.003)  ( 60.331,  68.534,  13.011)  ( 0.05,  0.05,  0.06)
162:     bond    (141.796, -93.271,  59.722)  (141.815, -93.242,  59.724)  ( 0.01,  0.03,  0.00)
162:     angle   (-104.386, 137.818, -48.662)  (-104.379, 137.825, -48.660)  ( 0.01,  0.01,  0.00)
162:     torsion (  1.522,  -0.256,  -4.043)  (  1.522,  -0.256,  -4.039)  ( 0.03,  0.00,  0.09)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 20.305,  23.042,   6.134)  ( 20.305,  23.042,   6.134)  ( 0.00,  0.00,  0.00)
162:     electro (  1.068,   1.164,  -0.149)  (  1.068,   1.164,  -0.149)  ( 0.00,  0.00,  0.00)
162: 24       (-67.290,  -9.475, -27.056)  (-67.249,  -9.439, -27.047)  ( 0.06,  0.38,  0.04)
162:     bond    (-30.633, -25.999, -10.170)  (-30.600, -25.974, -10.164)  ( 0.11,  0.10,  0.06)
162:     angle   (-40.862,  34.218, -18.476)  (-40.855,  34.229, -18.475)  ( 0.02,  0.03,  0.01)
162:     torsion ( -0.394,   0.036,   1.094)  ( -0.393,   0.036,   1.097)  ( 0.02,  0.00,  0.30)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 13.081, -11.814,   5.483)  ( 13.082, -11.814,   5.483)  ( 0.00,  0.00,  0.00)
162:     electro ( -8.482,  -5.916,  -4.988)  ( -8.482,  -5.916,  -4.988)  ( 0.00,  0.00,  0.00)
162: 25       (301.981, -105.140, 116.200)  (302.013, -105.103, 116.207)  ( 0.01,  0.04,  0.01)
162:     bond    (247.377,  -1.415,  95.326)  (247.401,  -1.391,  95.329)  ( 0.01,  1.69,  0.00)
162:     angle   (  9.935, -102.399,  11.221)  (  9.941, -102.388,  11.222)  ( 0.07,  0.01,  0.01)
162:     torsion ( 13.540,  -2.349, -35.450)  ( 13.541,  -2.349, -35.447)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 30.680, -16.006,  36.690)  ( 30.680, -16.003,  36.690)  ( 0.00,  0.02,  0.00)
162:     electro (  0.449,  17.028,   8.413)  (  0.449,  17.028,   8.413)  ( 0.00,  0.00,  0.00)
162: 26       (-48.127, -45.901, -29.735)  (-48.099, -45.868, -29.729)  ( 0.06,  0.07,  0.02)
162:     bond    (-163.266,   6.242, -62.884)  (-163.245,   6.266, -62.882)  ( 0.01,  0.38,  0.00)
162:     angle   (113.983, -50.151,  14.930)  (113.990, -50.142,  14.932)  ( 0.01,  0.02,  0.01)
162:     torsion ( -0.811,  -0.077,   1.712)  ( -0.811,  -0.077,   1.714)  ( 0.02,  0.00,  0.10)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.135,  -1.084,  16.039)  (  2.135,  -1.084,  16.039)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.168,  -0.831,   0.468)  ( -0.168,  -0.831,   0.468)  ( 0.00,  0.00,  0.00)
162: 27       (215.505, 204.878,  65.902)  (215.528, 204.903,  65.906)  ( 0.01,  0.01,  0.01)
162:     bond    (178.269,  51.348,  64.154)  (178.290,  51.364,  64.157)  ( 0.01,  0.03,  0.00)
162:     angle   ( 32.662, 155.314,   0.163)  ( 32.664, 155.322,   0.163)  ( 0.01,  0.01,  0.00)
162:     torsion (  0.325,  -0.050,  -0.859)  (  0.325,  -0.050,  -0.857)  ( 0.01,  0.00,  0.12)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.602,  -4.752,   2.472)  (  3.602,  -4.752,   2.472)  ( 0.01,  0.00,  0.00)
162:     electro (  0.647,   3.018,  -0.028)  (  0.647,   3.018,  -0.028)  ( 0.00,  0.00,  0.00)
162: 28       ( 79.090, -164.187,  43.019)  ( 79.122, -164.151,  43.028)  ( 0.04,  0.02,  0.02)
162:     bond    ( 29.223,  52.556,   7.122)  ( 29.247,  52.583,   7.125)  ( 0.08,  0.05,  0.05)
162:     angle   ( 52.488, -224.762,  35.854)  ( 52.495, -224.753,  35.856)  ( 0.01,  0.00,  0.01)
162:     torsion ( -0.555,   0.089,   1.476)  ( -0.554,   0.089,   1.479)  ( 0.02,  0.00,  0.19)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.194,   1.911,  -1.050)  ( -1.194,   1.911,  -1.050)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.872,   6.019,  -0.383)  ( -0.872,   6.019,  -0.383)  ( 0.00,  0.00,  0.00)
162: 29       (-19.992,  10.306,  -8.017)  (-19.972,  10.313,  -8.013)  ( 0.10,  0.07,  0.05)
162:     bond    (-23.634,   9.974,  -9.891)  (-23.614,   9.978,  -9.888)  ( 0.08,  0.04,  0.04)
162:     angle   (  4.940,  12.856,   1.179)  (  4.940,  12.859,   1.179)  ( 0.01,  0.03,  0.00)
162:     torsion (  0.275,  -0.037,  -0.696)  (  0.275,  -0.037,  -0.695)  ( 0.00,  0.00,  0.05)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.348, -10.851,  -0.672)  ( -3.348, -10.850,  -0.672)  ( 0.00,  0.00,  0.00)
162:     electro (  1.774,  -1.636,   2.064)  (  1.774,  -1.636,   2.064)  ( 0.00,  0.00,  0.00)
162: 30       ( 28.568, 118.247,   2.614)  ( 28.595, 118.276,   2.641)  ( 0.10,  0.02,  1.02)
162:     bond    ( 26.025,   1.138,   9.660)  ( 26.044,   1.157,   9.680)  ( 0.07,  1.67,  0.20)
162:     angle   ( -2.031, 105.588,  -8.649)  ( -2.023, 105.597,  -8.642)  ( 0.39,  0.01,  0.08)
162:     torsion ( -0.265,   0.055,   0.711)  ( -0.265,   0.055,   0.711)  ( 0.00,  0.00,  0.03)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.833,  12.485,   0.837)  (  4.833,  12.485,   0.837)  ( 0.00,  0.00,  0.00)
162:     electro (  0.006,  -1.018,   0.054)  (  0.006,  -1.018,   0.054)  ( 0.00,  0.00,  0.00)
162: 31       (-118.008, -29.322,  76.846)  (-117.980, -29.294,  76.872)  ( 0.02,  0.09,  0.03)
162:     bond    (-60.072,  25.033,  41.153)  (-60.053,  25.052,  41.171)  ( 0.03,  0.07,  0.04)
162:     angle   (-57.334, -58.998,  31.573)  (-57.325, -58.989,  31.580)  ( 0.01,  0.01,  0.02)
162:     torsion ( -0.243,   0.254,   1.067)  ( -0.243,   0.254,   1.068)  ( 0.01,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.358,   4.364,   3.091)  ( -0.358,   4.364,   3.091)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.002,   0.024,  -0.038)  ( -0.002,   0.024,  -0.038)  ( 0.00,  0.00,  0.00)
162: 32       ( 21.941,  96.497, -38.091)  ( 21.968,  96.524, -38.065)  ( 0.12,  0.03,  0.07)
162:     bond    (  6.399,  78.046, -23.251)  (  6.418,  78.064, -23.233)  ( 0.29,  0.02,  0.08)
162:     angle   ( 17.859,  16.298, -11.339)  ( 17.867,  16.307, -11.331)  ( 0.04,  0.05,  0.07)
162:     torsion (  0.103,   1.410,  -0.517)  (  0.103,   1.410,  -0.517)  ( 0.00,  0.02,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.984,   0.260,  -2.257)  ( -1.984,   0.260,  -2.257)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.436,   0.483,  -0.726)  ( -0.436,   0.483,  -0.726)  ( 0.00,  0.00,  0.00)
162: 33       ( -0.203, -82.320, -65.334)  ( -0.177, -82.294, -65.307)  ( 0.54,  0.03,  0.04)
162:     bond    (  0.483, -51.986, -43.271)  (  0.502, -51.967, -43.253)  ( 0.92,  0.04,  0.04)
162:     angle   (  0.825, -30.598, -10.208)  (  0.833, -30.590, -10.201)  ( 0.59,  0.03,  0.07)
162:     torsion (  0.419,  -0.019,   0.041)  (  0.420,  -0.019,   0.041)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.518,   0.166, -11.482)  ( -1.518,   0.166, -11.481)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.414,   0.116,  -0.413)  ( -0.414,   0.116,  -0.413)  ( 0.00,  0.00,  0.00)
162: 34       ( 28.189, -56.951,  -1.521)  ( 28.193, -56.938,  -1.518)  ( 0.02,  0.02,  0.17)
162:     bond    ( 22.740, -62.102,   3.059)  ( 22.742, -62.090,   3.059)  ( 0.01,  0.02,  0.01)
162:     angle   (  8.629,   2.796,  -7.421)  (  8.631,   2.796,  -7.419)  ( 0.03,  0.01,  0.03)
162:     torsion (  0.979,   0.305,  -1.082)  (  0.979,   0.305,  -1.082)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.351,   1.650,   3.098)  ( -4.351,   1.650,   3.098)  ( 0.00,  0.00,  0.00)
162:     electro (  0.192,   0.402,   0.825)  (  0.192,   0.402,   0.825)  ( 0.00,  0.00,  0.00)
162: 35       ( 23.961,  22.658, -58.454)  ( 23.965,  22.662, -58.442)  ( 0.01,  0.02,  0.02)
162:     bond    ( 15.695,  24.384, -60.652)  ( 15.696,  24.386, -60.640)  ( 0.01,  0.01,  0.02)
162:     angle   ( 12.639,  -1.024,   2.860)  ( 12.642,  -1.022,   2.861)  ( 0.02,  0.18,  0.02)
162:     torsion ( -0.438,   0.017,  -0.107)  ( -0.438,   0.017,  -0.107)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vwz_7x6.sdf
166:  1       (  0.188,  -0.341,  -0.447)  (  0.196,  -0.337,  -0.439)  ( 0.15,  0.15,  0.35)
166:     bond    ( 12.215,  -2.444,  -2.026)  ( 12.221,  -2.440,  -2.025)  ( 0.05,  0.20,  0.04)
166:     angle   (  1.031,   1.567,   0.419)  (  1.033,   1.568,   0.419)  ( 0.17,  0.09,  0.01)
166:     strbnd  ( -0.276,   0.595,   0.200)  ( -0.276,   0.595,   0.200)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.026,  -0.060,   0.134)  (  0.026,  -0.060,   0.135)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.003,   0.011,  -0.034)  ( -0.003,   0.009,  -0.028)  ( 0.00,  0.00,  0.02)
166:     vdw     (-13.301,   0.238,   1.219)  (-13.301,   0.238,   1.219)  ( 0.00,  0.00,  0.00)
166:     electro (  0.497,  -0.246,  -0.360)  (  0.497,  -0.246,  -0.360)  ( 0.00,  0.00,  0.00)
166:  2       (  0.154,  -0.533,   0.257)  (  0.159,  -0.515,   0.227)  ( 0.07,  0.95,  0.78)
166:     bond    (  8.668,  -9.202,  -3.657)  (  8.674,  -9.197,  -3.657)  ( 0.06,  0.06,  0.02)
166:     angle   (  1.060,  -2.236,  -0.846)  (  1.061,  -2.234,  -0.846)  ( 0.15,  0.07,  0.02)
166:     strbnd  ( -2.306,  -0.145,   0.209)  ( -2.306,  -0.145,   0.209)  ( 0.01,  0.00,  0.00)
166:     torsion ( -0.009,  -0.028,   0.128)  ( -0.009,  -0.028,   0.129)  ( 0.00,  0.00,  0.02)
166:     oop     (  0.014,  -0.067,   0.198)  (  0.012,  -0.056,   0.166)  ( 0.00,  0.08,  0.65)
166:     vdw     ( -6.352,  11.522,   4.701)  ( -6.352,  11.522,   4.701)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.922,  -0.376,  -0.475)  ( -0.922,  -0.376,  -0.475)  ( 0.00,  0.00,  0.00)
166:  3       ( -0.038,  -0.435,   0.232)  ( -0.028,  -0.444,   0.280)  ( 0.04,  0.40,  1.12)
166:     bond    ( -6.462, -14.039,  -4.598)  ( -6.457, -14.034,  -4.597)  ( 0.08,  0.04,  0.02)
166:     angle   (  4.729,   7.796,   2.474)  (  4.731,   7.798,   2.474)  ( 0.04,  0.02,  0.01)
166:     strbnd  (  3.737,  -3.706,  -1.522)  (  3.737,  -3.707,  -1.522)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.300,  -2.114,   5.663)  (  0.300,  -2.114,   5.664)  ( 0.00,  0.01,  0.02)
166:     oop     ( -0.022,   0.095,  -0.277)  ( -0.019,   0.079,  -0.231)  ( 0.01,  0.15,  1.28)
166:     vdw     ( -2.173,  13.069,   0.311)  ( -2.172,  13.069,   0.311)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.148,  -1.535,  -1.819)  ( -0.148,  -1.535,  -1.819)  ( 0.00,  0.00,  0.00)
166:  4       (  0.339,   2.335,  -1.508)  (  0.354,   2.156,  -1.322)  ( 0.49,  7.67, 12.33)
166:     bond    ( -4.734,   2.347,   1.095)  ( -4.729,   2.352,   1.096)  ( 0.11,  0.20,  0.07)
166:     angle   (-10.062,  -2.611,   4.140)  (-10.060,  -2.609,   4.140)  ( 0.02,  0.07,  0.01)
166:     strbnd  (  3.811,   0.602,   0.274)  (  3.811,   0.601,   0.274)  ( 0.00,  0.01,  0.00)
166:     torsion ( -0.109,   2.386,  -1.969)  ( -0.109,   2.387,  -1.968)  ( 0.00,  0.01,  0.06)
166:     oop     ( -0.042,   1.022,  -1.056)  ( -0.035,   0.836,  -0.873)  ( 0.03, 18.16, 17.37)
166:     vdw     (  9.138,  -2.304,  -5.262)  (  9.139,  -2.304,  -5.262)  ( 0.00,  0.00,  0.00)
166:     electro (  2.337,   0.892,   1.269)  (  2.337,   0.892,   1.269)  ( 0.00,  0.00,  0.00)
166:  5       (  0.329,  -0.092,  -0.786)  (  0.325,  -0.035,  -0.926)  ( 0.14,  0.53, 10.94)
166:     bond    ( -9.877,  12.321,   6.024)  ( -9.872,  12.326,   6.025)  ( 0.05,  0.04,  0.01)
166:     angle   (  0.777,  -3.545,  -1.191)  (  0.779,  -3.544,  -1.191)  ( 0.13,  0.04,  0.02)
166:     strbnd  (  3.218,   2.140,   0.609)  (  3.218,   2.140,   0.609)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.010,   0.739,  -2.169)  (  0.010,   0.739,  -2.168)  ( 0.00,  0.01,  0.06)
166:     oop     (  0.069,  -0.304,   0.854)  (  0.058,  -0.253,   0.713)  ( 0.08,  1.53, 12.07)
166:     vdw     (  4.433, -11.904,  -4.594)  (  4.433, -11.904,  -4.594)  ( 0.00,  0.00,  0.00)
166:     electro (  1.700,   0.460,  -0.319)  (  1.700,   0.460,  -0.319)  ( 0.00,  0.00,  0.00)
166:  6       (  0.290,   0.013,  -0.920)  (  0.298,   0.013,  -0.902)  ( 0.24,  0.00,  1.63)
166:     bond    ( 10.935,  11.123,   2.675)  ( 10.940,  11.128,   2.676)  ( 0.05,  0.04,  0.03)
166:     angle   ( -1.841,   0.246,   0.285)  ( -1.839,   0.247,   0.285)  ( 0.09,  0.04,  0.01)
166:     strbnd  ( -0.658,   0.437,   0.063)  ( -0.658,   0.437,   0.063)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.004,   0.151,  -0.129)  ( -0.004,   0.151,  -0.128)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.010,   0.040,  -0.102)  ( -0.008,   0.034,  -0.087)  ( 0.00,  0.03,  0.16)
166:     vdw     ( -7.809, -11.860,  -3.494)  ( -7.809, -11.860,  -3.494)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.323,  -0.125,  -0.217)  ( -0.323,  -0.125,  -0.217)  ( 0.00,  0.00,  0.00)
166:  7       ( -0.910,  -7.772,   3.404)  ( -0.861,  -7.502,   3.120)  ( 4.50,  3.48,  8.32)
166:     bond    ( -8.014,   7.203,  10.301)  ( -8.008,   7.206,  10.304)  ( 0.07,  0.04,  0.04)
166:     angle   ( 23.571,  -6.002, -12.520)  ( 23.573,  -6.000, -12.519)  ( 0.01,  0.02,  0.01)
166:     strbnd  ( -5.963,   1.001,   0.741)  ( -5.964,   1.001,   0.741)  ( 0.01,  0.02,  0.02)
166:     torsion ( -2.513, -12.758,   5.361)  ( -2.513, -12.757,   5.361)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.329,  -1.737,   1.929)  ( -0.287,  -1.471,   1.641)  ( 1.39, 15.28, 14.93)
166:     vdw     ( -1.708,   5.497,  -2.750)  ( -1.708,   5.497,  -2.750)  ( 0.01,  0.00,  0.00)
166:     electro ( -5.954,  -0.978,   0.342)  ( -5.954,  -0.978,   0.342)  ( 0.00,  0.00,  0.00)
166:  8       ( -2.017,   6.847,   8.194)  ( -2.033,   7.367,   8.078)  ( 0.77,  7.59,  1.41)
166:     bond    (  7.906,   3.155,   6.283)  (  7.911,   3.158,   6.291)  ( 0.07,  0.08,  0.13)
166:     angle   (-11.927,  11.968,  23.696)  (-11.925,  11.969,  23.697)  ( 0.02,  0.01,  0.01)
166:     strbnd  ( -0.172,  -3.227,  -7.634)  ( -0.173,  -3.227,  -7.635)  ( 0.02,  0.01,  0.01)
166:     torsion ( -1.720,   6.773, -17.821)  ( -1.720,   6.773, -17.821)  ( 0.00,  0.01,  0.00)
166:     oop     (  0.204,  -2.932,   0.925)  (  0.181,  -2.416,   0.801)  ( 0.45, 17.59, 11.54)
166:     vdw     (  4.239,  -5.387,   2.000)  (  4.239,  -5.387,   2.000)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.546,  -3.502,   0.745)  ( -0.546,  -3.502,   0.745)  ( 0.00,  0.00,  0.00)
166:  9       (  2.585,  -3.819,  -7.637)  (  2.601,  -4.100,  -7.475)  ( 0.65,  7.38,  2.13)
166:     bond    (  6.677,  -9.432, -17.814)  (  6.678,  -9.430, -17.808)  ( 0.01,  0.02,  0.03)
166:     angle   ( -3.223,  -0.345,  -1.026)  ( -3.222,  -0.345,  -1.026)  ( 0.03,  0.00,  0.01)
166:     strbnd  ( -3.032,   4.056,   7.810)  ( -3.032,   4.056,   7.810)  ( 0.01,  0.00,  0.00)
166:     torsion ( -0.307,   6.030,  -3.308)  ( -0.307,   6.030,  -3.308)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.071,   1.455,  -0.797)  ( -0.056,   1.171,  -0.641)  ( 0.11, 19.52, 12.44)
166:     vdw     (  7.280,  -5.048,  11.866)  (  7.280,  -5.048,  11.866)  ( 0.00,  0.00,  0.00)
166:     electro ( -4.739,  -0.534,  -4.368)  ( -4.739,  -0.534,  -4.368)  ( 0.00,  0.00,  0.00)
166: 10       (  1.000,  -0.547,  -0.386)  (  0.966,  -0.774,  -0.726)  ( 3.43, 12.41, 13.13)
166:     bond    (  9.695,  23.920,  -3.884)  (  9.701,  23.924,  -3.884)  ( 0.06,  0.02,  0.01)
166:     angle   (-15.143, -13.685, -10.389)  (-15.141, -13.683, -10.388)  ( 0.01,  0.01,  0.01)
166:     strbnd  (  1.542, -11.914,   0.169)  (  1.542, -11.915,   0.169)  ( 0.03,  0.01,  0.00)
166:     torsion (  1.960,  -0.605,  10.880)  (  1.960,  -0.605,  10.881)  ( 0.00,  0.01,  0.01)
166:     oop     (  0.202,   1.528,   1.715)  (  0.161,   1.295,   1.373)  ( 0.83, 15.24, 19.96)
166:     vdw     (  3.415,   0.682,   1.760)  (  3.415,   0.682,   1.760)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.671,  -0.472,  -0.637)  ( -0.671,  -0.472,  -0.637)  ( 0.00,  0.00,  0.00)
166: 11       ( -0.171,  -0.241,  -0.542)  ( -0.163,  -0.080,   0.005)  ( 0.12,  3.88, 29.65)
166:     bond    (-13.094,  -5.115,  -0.788)  (-13.089,  -5.111,  -0.787)  ( 0.04,  0.09,  0.05)
166:     angle   ( -2.503,   4.242,  11.159)  ( -2.501,   4.244,  11.160)  ( 0.09,  0.05,  0.00)
166:     strbnd  ( 10.155,   7.918,  -0.812)  ( 10.154,   7.917,  -0.812)  ( 0.01,  0.01,  0.01)
166:     torsion (  1.046,  -1.903,  -2.449)  (  1.046,  -1.903,  -2.448)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.039,  -0.779,  -2.945)  ( -0.038,  -0.624,  -2.400)  ( 0.00, 12.08, 18.52)
166:     vdw     ( -0.018,  -4.278,  -1.767)  ( -0.018,  -4.278,  -1.767)  ( 0.00,  0.00,  0.00)
166:     electro (  4.282,  -0.325,  -2.941)  (  4.282,  -0.325,  -2.941)  ( 0.00,  0.00,  0.00)
166: 12       (  0.049,  -0.113,  -0.121)  (  0.055,  -0.145,  -0.246)  ( 0.03,  0.36,  1.51)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vx0_7x7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vx1_7x8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vyp_rh9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vz7_pxi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vzm_nrb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vzq_unf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vzs_gcs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2vzt_pnj.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 11 N
164:     angle   ( 10.251,   5.425, -14.704)  ( 10.253,   5.427, -14.702)  ( 0.02,  0.04,  0.01)
164:     strbnd  (  4.541,  -0.227,   0.888)  (  4.540,  -0.227,   0.888)  ( 0.02,  0.01,  0.06)
164:     torsion ( -1.610,   3.720,   3.452)  ( -1.610,   3.720,   3.452)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.819,   5.346,  -4.109)  ( -3.819,   5.346,  -4.109)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 24       (  0.357,   0.362,   0.364)  (  0.362,   0.367,   0.370)  ( 0.18,  0.17,  0.22)
164:     bond    ( 21.264, -13.824,  -2.826)  ( 21.268, -13.820,  -2.821)  ( 0.02,  0.03,  0.16)
164:     angle   (-16.268,  12.918,  11.920)  (-16.266,  12.920,  11.922)  ( 0.01,  0.02,  0.01)
164:     strbnd  ( -2.042,  -2.702,   2.306)  ( -2.043,  -2.703,   2.305)  ( 0.04,  0.04,  0.01)
164:     torsion (  0.242,  -0.309,  -3.665)  (  0.242,  -0.309,  -3.665)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.840,   4.280,  -7.371)  ( -2.839,   4.280,  -7.371)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 25       (  0.298,   0.643,   0.076)  (  0.302,   0.648,   0.081)  ( 0.13,  0.32,  0.04)
164:     bond    (-17.007,  -1.605,  19.177)  (-17.004,  -1.602,  19.181)  ( 0.02,  0.21,  0.02)
164:     angle   ( 20.289, -11.578, -20.050)  ( 20.291, -11.576, -20.048)  ( 0.01,  0.02,  0.01)
164:     strbnd  (  0.219,   4.268,  -0.478)  (  0.218,   4.267,  -0.478)  ( 0.02,  0.02,  0.02)
164:     torsion ( -1.834,   2.984,   4.550)  ( -1.834,   2.984,   4.550)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.369,   6.574,  -3.124)  ( -1.369,   6.574,  -3.124)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 26       (  1.237,  -0.464,   0.129)  (  1.240,  -0.447,   0.209)  ( 0.28,  0.80,  1.04)
164:     bond    ( 15.847,  -1.098,  -7.962)  ( 15.850,  -1.095,  -7.959)  ( 0.02,  0.29,  0.04)
164:     angle   (-11.285,  -1.723,  11.202)  (-11.283,  -1.722,  11.203)  ( 0.02,  0.12,  0.02)
164:     strbnd  ( -2.536,   2.403,   1.664)  ( -2.537,   2.402,   1.663)  ( 0.03,  0.03,  0.04)
164:     torsion (  1.195,  -2.901,  -3.945)  (  1.195,  -2.901,  -3.945)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.005,  -0.076,  -0.452)  (  0.004,  -0.063,  -0.376)  ( 0.00,  0.10,  3.40)
164:     vdw     ( -1.368,   2.242,  -0.525)  ( -1.367,   2.242,  -0.525)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.621,   0.690,   0.148)  ( -0.621,   0.690,   0.148)  ( 0.00,  0.00,  0.00)
164: 27       (  0.236,   0.612,   0.037)  (  0.242,   0.618,   0.042)  ( 0.14,  0.35,  0.02)
164:     bond    (  5.055, -10.233, -17.302)  (  5.059, -10.229, -17.298)  ( 0.09,  0.04,  0.02)
164:     angle   ( -3.183,   7.842,  10.800)  ( -3.181,   7.843,  10.802)  ( 0.06,  0.02,  0.02)
164:     strbnd  (  1.203,   0.907,  -0.607)  (  1.203,   0.907,  -0.608)  ( 0.04,  0.05,  0.06)
164:     torsion ( -0.959,  -0.405,  -0.114)  ( -0.959,  -0.405,  -0.114)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.881,   2.501,   7.260)  ( -1.880,   2.501,   7.260)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 28       (  0.896,  -0.479,  -0.925)  (  0.900,  -0.477,  -0.920)  ( 0.38,  0.08,  0.45)
164:     bond    (  7.820,   3.623,  -3.208)  (  7.824,   3.624,  -3.204)  ( 0.05,  0.03,  0.12)
164:     angle   ( -2.167,   1.247,   4.426)  ( -2.166,   1.247,   4.428)  ( 0.01,  0.03,  0.03)
164:     strbnd  (  0.310,   0.219,   0.140)  (  0.310,   0.219,   0.140)  ( 0.00,  0.00,  0.01)
164:     torsion (  0.871,  -2.454,  -0.635)  (  0.871,  -2.454,  -0.635)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.614,  -2.920,  -1.379)  ( -3.614,  -2.920,  -1.379)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.324,  -0.193,  -0.270)  ( -2.323,  -0.193,  -0.270)  ( 0.00,  0.00,  0.00)
164: 29       (  0.408,   0.492,   0.031)  (  0.409,   0.493,   0.034)  ( 0.03,  0.06,  0.01)
164:     bond    ( -1.093,   2.730,   5.745)  ( -1.093,   2.731,   5.748)  ( 0.01,  0.02,  0.04)
164:     angle   ( -0.447,  -1.804,   0.772)  ( -0.446,  -1.803,   0.772)  ( 0.03,  0.03,  0.01)
164:     strbnd  ( -0.651,  -1.825,  -2.101)  ( -0.651,  -1.825,  -2.101)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.322,  -0.173,   0.334)  (  1.322,  -0.173,   0.334)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.277,   1.563,  -4.719)  (  1.277,   1.563,  -4.719)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 30       (  0.503,   0.033,   0.106)  (  0.504,   0.034,   0.109)  ( 0.04,  0.00,  0.03)
164:     bond    (  0.388,  -0.566,  -1.877)  (  0.388,  -0.566,  -1.874)  ( 0.01,  0.02,  0.16)
164:     angle   ( -1.222,   1.435,  -0.686)  ( -1.222,   1.436,  -0.686)  ( 0.05,  0.04,  0.00)
164:     strbnd  ( -0.562,   0.515,   1.009)  ( -0.562,   0.515,   1.009)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.037,   0.246,  -0.289)  ( -1.037,   0.246,  -0.289)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.936,  -1.598,   1.950)  (  2.936,  -1.598,   1.950)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 31       (  0.438,   0.182,   0.134)  (  0.439,   0.183,   0.137)  ( 0.04,  0.02,  0.04)
164:     bond    ( -1.114,   1.979,   6.032)  ( -1.114,   1.980,   6.035)  ( 0.01,  0.02,  0.05)
164:     angle   ( -0.690,   1.900,  -0.751)  ( -0.689,   1.901,  -0.751)  ( 0.04,  0.03,  0.01)
164:     strbnd  (  0.022,  -0.078,  -2.039)  (  0.022,  -0.078,  -2.039)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.783,   1.067,  -0.206)  (  0.783,   1.067,  -0.206)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.437,  -4.688,  -2.903)  (  1.437,  -4.687,  -2.903)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 32       (  1.763,   0.235,  -0.010)  (  1.764,   0.236,  -0.007)  ( 0.05,  0.03,  0.00)
164:     bond    ( -0.495,   1.091,   2.241)  ( -0.495,   1.092,   2.244)  ( 0.01,  0.06,  0.12)
164:     angle   ( -0.145,   0.135,  -0.098)  ( -0.144,   0.135,  -0.098)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -0.003,  -0.325,  -0.202)  ( -0.003,  -0.325,  -0.202)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.861,   0.535,   0.150)  (  1.861,   0.535,   0.150)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.545,  -1.202,  -2.101)  (  0.545,  -1.202,  -2.101)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 33       (  0.648,   0.036,  -0.155)  (  0.650,   0.037,  -0.153)  ( 0.11,  0.00,  0.03)
164:     bond    (  2.130,  -0.511,   2.443)  (  2.132,  -0.511,   2.445)  ( 0.07,  0.00,  0.08)
164:     angle   (  2.580,  -0.905,  -2.439)  (  2.580,  -0.904,  -2.439)  ( 0.01,  0.05,  0.01)
164:     strbnd  ( -0.613,   0.221,  -1.607)  ( -0.613,   0.221,  -1.607)  ( 0.00,  0.00,  0.00)
164:     torsion ( -2.226,   0.124,   1.967)  ( -2.226,   0.125,   1.967)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.223,   1.107,  -0.518)  ( -1.223,   1.107,  -0.518)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 34       (  0.623,  -0.025,  -0.099)  (  0.624,  -0.024,  -0.096)  ( 0.07,  0.00,  0.02)
164:     bond    (  1.205,  -1.083,  -2.206)  (  1.205,  -1.082,  -2.204)  ( 0.05,  0.05,  0.10)
164:     angle   (  4.429,  -0.679,   2.755)  (  4.430,  -0.679,   2.755)  ( 0.01,  0.03,  0.01)
164:     strbnd  ( -0.025,   0.560,   1.229)  ( -0.025,   0.560,   1.229)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2w05_frt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2w06_frv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2w08_tpo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2w09_cm9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2w0a_cii.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2w0b_cmw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2w0j_zat.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2w0u_c7c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2w0v_lzr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2w0w_lzs.sdf
166:     bond    ( -6.964,  10.847,  -2.041)  ( -6.957,  10.853,  -2.041)  ( 0.09,  0.05,  0.02)
166:     angle   (  3.466, -18.735,   1.444)  (  3.468, -18.732,   1.444)  ( 0.06,  0.01,  0.03)
166:     strbnd  (  5.241,  10.045,  -1.635)  (  5.240,  10.043,  -1.635)  ( 0.02,  0.01,  0.00)
166:     torsion ( -0.277,  -0.199,   0.243)  ( -0.277,  -0.199,   0.244)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.002,   0.243,   0.879)  ( -0.003,   0.205,   0.753)  ( 0.00,  0.94, 11.08)
166:     vdw     ( -1.680,  -2.461,   0.754)  ( -1.680,  -2.461,   0.754)  ( 0.00,  0.00,  0.00)
166:     electro (  0.266,   0.147,   0.236)  (  0.266,   0.147,   0.236)  ( 0.00,  0.00,  0.00)
166: 13       ( -1.916,   4.711,  -0.986)  ( -1.911,   4.727,  -0.929)  ( 0.21,  0.35,  5.65)
166:     bond    ( -0.615,   7.046,  -1.142)  ( -0.607,   7.052,  -1.141)  ( 0.46,  0.08,  0.02)
166:     angle   (  9.671,  -9.830,   1.897)  (  9.673,  -9.828,   1.897)  ( 0.02,  0.02,  0.00)
166:     strbnd  (  1.450,  -2.787,   0.428)  (  1.450,  -2.788,   0.428)  ( 0.05,  0.05,  0.00)
166:     torsion ( -0.027,   0.521,  -1.869)  ( -0.027,   0.521,  -1.868)  ( 0.00,  0.00,  0.05)
166:     oop     (  0.024,  -0.050,  -0.214)  (  0.019,  -0.041,  -0.158)  ( 0.01,  0.05,  1.20)
166:     vdw     (-11.109,   9.890,   1.556)  (-11.109,   9.890,   1.556)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.309,  -0.078,  -1.642)  ( -1.309,  -0.078,  -1.642)  ( 0.00,  0.00,  0.00)
166: 14       (  6.713,  -5.411,   0.328)  (  6.722,  -5.394,   0.357)  ( 0.13,  0.31,  0.96)
166:     bond    (-12.462, -21.961,   0.624)  (-12.457, -21.955,   0.624)  ( 0.04,  0.02,  0.01)
166:     angle   ( 21.478,  16.756,  -1.059)  ( 21.481,  16.758,  -1.059)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -5.263,  -1.582,  -0.270)  ( -5.263,  -1.582,  -0.270)  ( 0.01,  0.03,  0.00)
166:     torsion ( -0.035,  -0.626,   1.222)  ( -0.035,  -0.626,   1.223)  ( 0.00,  0.00,  0.11)
166:     oop     (  0.004,  -0.049,  -0.081)  (  0.005,  -0.039,  -0.053)  ( 0.00,  0.05,  0.23)
166:     vdw     (  2.604,   2.443,   0.387)  (  2.604,   2.443,   0.387)  ( 0.00,  0.00,  0.00)
166:     electro (  0.386,  -0.392,  -0.495)  (  0.386,  -0.392,  -0.495)  ( 0.00,  0.00,  0.00)
166: 15       ( -5.129,   0.613,  -0.625)  ( -5.079,   0.616,  -0.328)  ( 0.97,  0.16, 18.57)
166:     bond    ( 11.061,   5.919,  -3.067)  ( 11.066,   5.923,  -3.067)  ( 0.04,  0.08,  0.01)
166:     angle   (-12.299, -15.141,  -0.481)  (-12.297, -15.140,  -0.481)  ( 0.02,  0.01,  0.00)
166:     strbnd  ( -3.290,   0.620,   0.718)  ( -3.290,   0.620,   0.718)  ( 0.00,  0.01,  0.00)
166:     torsion ( -0.712,  -0.073,   3.004)  ( -0.712,  -0.073,   3.005)  ( 0.00,  0.00,  0.05)
166:     oop     ( -0.261,   0.034,  -1.913)  ( -0.218,   0.030,  -1.617)  ( 1.11,  0.01, 15.44)
166:     vdw     (  0.370,   9.262,   0.830)  (  0.370,   9.262,   0.830)  ( 0.00,  0.00,  0.00)
166:     electro (  0.002,  -0.007,   0.283)  (  0.002,  -0.007,   0.283)  ( 0.00,  0.00,  0.00)
166: 16       ( -0.296,   0.185,   0.933)  ( -0.303,   0.195,   0.800)  ( 0.21,  0.19, 12.45)
166:     bond    ( 14.452, -16.403,  -3.890)  ( 14.458, -16.398,  -3.890)  ( 0.04,  0.03,  0.01)
166:     angle   (-10.953,   5.321,   1.176)  (-10.951,   5.322,   1.176)  ( 0.02,  0.03,  0.00)
166:     strbnd  (  6.693,   8.480,  -0.639)  (  6.693,   8.479,  -0.639)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.233,  -0.130,   1.677)  (  0.233,  -0.130,   1.679)  ( 0.00,  0.00,  0.08)
166:     oop     (  0.089,  -0.027,   0.816)  (  0.074,  -0.024,   0.681)  ( 0.13,  0.01, 11.01)
166:     vdw     (-10.495,   2.954,   2.887)  (-10.495,   2.954,   2.887)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.314,  -0.010,  -1.094)  ( -0.314,  -0.010,  -1.094)  ( 0.00,  0.00,  0.00)
166: 17       ( -0.587,   0.280,   1.052)  ( -0.579,   0.286,   1.057)  ( 0.46,  0.17,  0.47)
166:     bond    ( 11.943,  13.623,   0.244)  ( 11.949,  13.628,   0.244)  ( 0.05,  0.04,  0.01)
166:     angle   (  1.276,  -3.469,  -0.726)  (  1.277,  -3.467,  -0.726)  ( 0.13,  0.05,  0.00)
166:     strbnd  (  0.726,  -3.329,  -0.300)  (  0.726,  -3.330,  -0.300)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.227,  -0.156,   1.421)  (  0.227,  -0.156,   1.422)  ( 0.00,  0.00,  0.09)
166:     oop     ( -0.004,   0.002,  -0.021)  ( -0.003,   0.002,  -0.018)  ( 0.00,  0.00,  0.01)
166:     vdw     (-14.498,  -6.002,   0.935)  (-14.498,  -6.002,   0.935)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.257,  -0.389,  -0.500)  ( -0.257,  -0.389,  -0.500)  ( 0.00,  0.00,  0.00)
166: 18       ( -0.846,  -0.010,   0.550)  ( -0.842,   0.000,   0.524)  ( 0.36,  0.01,  1.42)
166:     bond    ( -3.720,  10.016,   1.464)  ( -3.714,  10.021,   1.464)  ( 0.15,  0.06,  0.01)
166:     angle   (  3.372,   1.996,  -0.096)  (  3.374,   1.998,  -0.096)  ( 0.05,  0.09,  0.00)
166:     strbnd  (  1.201,  -0.848,  -0.145)  (  1.201,  -0.848,  -0.145)  ( 0.02,  0.01,  0.00)
166:     torsion (  0.005,  -0.001,   0.213)  (  0.005,  -0.001,   0.214)  ( 0.00,  0.00,  0.03)
166:     oop     (  0.015,  -0.016,   0.164)  (  0.013,  -0.013,   0.137)  ( 0.00,  0.00,  0.45)
166:     vdw     ( -1.486, -11.784,  -0.891)  ( -1.486, -11.784,  -0.891)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.234,   0.627,  -0.159)  ( -0.234,   0.627,  -0.159)  ( 0.00,  0.00,  0.00)
166: 19       ( -0.802,  -0.231,  -0.241)  ( -0.792,  -0.227,  -0.209)  ( 0.79,  0.10,  0.77)
166:     bond    ( -3.439,  12.608,   1.190)  ( -3.434,  12.614,   1.190)  ( 0.17,  0.04,  0.02)
166:     angle   ( -7.033,   2.531,   1.010)  ( -7.031,   2.533,   1.010)  ( 0.02,  0.06,  0.01)
166:     strbnd  ( -0.939,  -6.205,  -0.494)  ( -0.939,  -6.206,  -0.494)  ( 0.02,  0.00,  0.00)
166:     torsion (  0.083,  -0.036,   0.405)  (  0.083,  -0.036,   0.406)  ( 0.00,  0.00,  0.05)
166:     oop     ( -0.015,   0.016,  -0.180)  ( -0.012,   0.013,  -0.149)  ( 0.00,  0.00,  0.55)
166:     vdw     ( 11.128,  -8.501,  -1.965)  ( 11.128,  -8.501,  -1.965)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.587,  -0.644,  -0.207)  ( -0.587,  -0.644,  -0.207)  ( 0.00,  0.00,  0.00)
166: 20       ( -0.443,  -0.226,  -0.393)  ( -0.448,  -0.219,  -0.464)  ( 0.20,  0.16,  2.79)
166:     bond    (-23.028,   1.536,   2.475)  (-23.023,   1.541,   2.475)  ( 0.02,  0.33,  0.01)
166:     angle   ( 15.846,  -1.882,  -2.254)  ( 15.848,  -1.881,  -2.254)  ( 0.01,  0.09,  0.00)
166:     strbnd  ( -4.096,   7.781,   0.817)  ( -4.097,   7.781,   0.817)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.129,   0.136,   0.405)  (  0.129,   0.136,   0.407)  ( 0.00,  0.00,  0.05)
166:     oop     (  0.078,  -0.007,   0.518)  (  0.066,  -0.007,   0.445)  ( 0.09,  0.00,  3.76)
166:     vdw     ( 11.264,  -7.207,  -2.094)  ( 11.264,  -7.207,  -2.094)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.635,  -0.582,  -0.260)  ( -0.635,  -0.582,  -0.260)  ( 0.00,  0.00,  0.00)
166: 21       (  0.070,   0.058,   0.371)  (  0.080,  -0.012,   0.135)  ( 0.07,  0.40,  8.76)
166:     bond    (  7.503, -21.569,  13.282)  (  7.507, -21.565,  13.286)  ( 0.05,  0.02,  0.03)
166:     angle   ( -8.074,  14.944, -23.421)  ( -8.072,  14.947, -23.419)  ( 0.03,  0.01,  0.01)
166:     strbnd  (  2.250,   2.780,   1.796)  (  2.249,   2.779,   1.795)  ( 0.04,  0.04,  0.03)
166:     torsion ( -0.293,   1.133,   8.011)  ( -0.293,   1.133,   8.011)  ( 0.00,  0.01,  0.00)
166:     oop     ( -0.019,   0.274,   0.893)  ( -0.014,   0.200,   0.651)  ( 0.01,  2.04, 21.55)
166:     vdw     ( -0.617,   2.348,  -0.996)  ( -0.617,   2.348,  -0.996)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.681,   0.147,   0.808)  ( -0.681,   0.147,   0.808)  ( 0.00,  0.00,  0.00)
166: 22       (  0.335,  -0.174,   0.517)  (  0.341,  -0.168,   0.522)  ( 0.18,  0.10,  0.29)
166:     bond    ( 10.845,  -2.778,  -8.094)  ( 10.850,  -2.774,  -8.090)  ( 0.04,  0.15,  0.05)
166:     angle   ( -9.008,  -1.801,   6.507)  ( -9.006,  -1.799,   6.508)  ( 0.02,  0.10,  0.03)
166:     strbnd  (  0.507,  -2.141,   2.316)  (  0.507,  -2.141,   2.315)  ( 0.04,  0.02,  0.03)
166:     torsion (  0.379,   2.149,  -1.075)  (  0.379,   2.149,  -1.075)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.389,   4.398,   0.864)  ( -2.389,   4.398,   0.864)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 23       ( -0.056,  -0.173,  -0.298)  ( -0.051,  -0.167,  -0.292)  ( 0.03,  0.09,  0.18)
166:     bond    ( -9.863,  -5.250,   2.250)  ( -9.858,  -5.246,   2.255)  ( 0.04,  0.08,  0.21)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2w15_wr2.sdf
162:     vdw     ( -4.537,  -1.666,  -1.662)  ( -4.537,  -1.666,  -1.662)  ( 0.00,  0.00,  0.00)
162:     electro (  0.603,   0.947,   1.106)  (  0.603,   0.947,   1.106)  ( 0.00,  0.00,  0.00)
162: 36       ( 63.903,   1.291,  -9.759)  ( 63.917,   1.294,  -9.756)  ( 0.02,  0.20,  0.03)
162:     bond    ( 65.790,  -3.836,  -9.623)  ( 65.804,  -3.836,  -9.622)  ( 0.02,  0.01,  0.01)
162:     angle   ( -0.500,   5.235,  -5.508)  ( -0.500,   5.237,  -5.506)  ( 0.00,  0.04,  0.04)
162:     torsion ( -0.009,  -0.753,   0.237)  ( -0.009,  -0.753,   0.237)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.878,   0.527,   4.101)  ( -0.878,   0.527,   4.101)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.499,   0.119,   1.034)  ( -0.499,   0.119,   1.034)  ( 0.00,  0.00,  0.00)
162: 37       ( -9.271,  60.648,  -9.108)  ( -9.268,  60.661,  -9.105)  ( 0.04,  0.02,  0.03)
162:     bond    (-17.431,  62.884,  -7.653)  (-17.430,  62.897,  -7.652)  ( 0.01,  0.02,  0.01)
162:     angle   (  8.734,   1.467,  -7.843)  (  8.736,   1.467,  -7.841)  ( 0.02,  0.01,  0.03)
162:     torsion (  1.973,   0.481,  -0.542)  (  1.973,   0.481,  -0.542)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.279,  -4.010,   5.533)  ( -2.279,  -4.010,   5.533)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.268,  -0.174,   1.397)  ( -0.268,  -0.174,   1.397)  ( 0.00,  0.00,  0.00)
162: 38       (-16.458, -18.347,  59.777)  (-16.455, -18.343,  59.789)  ( 0.02,  0.02,  0.02)
162:     bond    (-14.915, -23.631,  60.460)  (-14.914, -23.629,  60.472)  ( 0.01,  0.01,  0.02)
162:     angle   ( -6.543,   3.669,  -0.179)  ( -6.540,   3.671,  -0.179)  ( 0.04,  0.05,  0.01)
162:     torsion (  0.344,  -0.544,  -0.128)  (  0.344,  -0.544,  -0.128)  ( 0.00,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  3.903,   1.685,  -0.006)  (  3.903,   1.685,  -0.006)  ( 0.00,  0.00,  0.00)
162:     electro (  0.753,   0.475,  -0.371)  (  0.753,   0.475,  -0.371)  ( 0.00,  0.00,  0.00)
162: 39       (-25.095,  56.685,   3.665)  (-25.091,  56.698,   3.668)  ( 0.02,  0.02,  0.07)
162:     bond    (-22.755,  61.554,  -3.326)  (-22.753,  61.566,  -3.326)  ( 0.01,  0.02,  0.01)
162:     angle   ( -9.216,  -3.000,   7.499)  ( -9.213,  -3.000,   7.501)  ( 0.02,  0.01,  0.03)
162:     torsion ( -0.769,  -0.189,   1.757)  ( -0.769,  -0.189,   1.757)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.660,  -1.802,  -2.186)  (  6.660,  -1.802,  -2.186)  ( 0.00,  0.00,  0.00)
162:     electro (  0.985,   0.123,  -0.078)  (  0.985,   0.123,  -0.078)  ( 0.00,  0.00,  0.00)
162: 40       (-65.919,  -0.873,  16.880)  (-65.906,  -0.870,  16.884)  ( 0.02,  0.22,  0.02)
162:     bond    (-66.810,   3.375,  10.478)  (-66.796,   3.376,  10.478)  ( 0.02,  0.01,  0.01)
162:     angle   (  1.413,  -5.003,  10.616)  (  1.413,  -5.001,  10.618)  ( 0.01,  0.04,  0.02)
162:     torsion ( -0.080,  -0.246,  -0.431)  ( -0.080,  -0.246,  -0.431)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.119,  -0.016,  -3.644)  ( -0.119,  -0.016,  -3.644)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.323,   1.018,  -0.138)  ( -0.323,   1.018,  -0.138)  ( 0.00,  0.00,  0.00)
162: 41       ( 12.030, -60.568,  14.896)  ( 12.034, -60.555,  14.899)  ( 0.03,  0.02,  0.02)
162:     bond    ( 18.258, -63.191,   7.895)  ( 18.259, -63.178,   7.896)  ( 0.01,  0.02,  0.01)
162:     angle   ( -7.961,  -0.960,  10.725)  ( -7.959,  -0.960,  10.727)  ( 0.02,  0.02,  0.02)
162:     torsion ( -0.871,  -0.147,   0.836)  ( -0.871,  -0.147,   0.836)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.556,   3.027,  -5.023)  (  2.556,   3.028,  -5.023)  ( 0.00,  0.00,  0.00)
162:     electro (  0.049,   0.702,   0.463)  (  0.049,   0.702,   0.463)  ( 0.00,  0.00,  0.00)
162: 42       ( -9.460,  56.170,   5.244)  ( -9.457,  56.183,   5.247)  ( 0.04,  0.02,  0.05)
162:     bond    (-16.292,  56.900,  -2.500)  (-16.291,  56.913,  -2.500)  ( 0.01,  0.02,  0.01)
162:     angle   (  9.866,   3.363,  12.263)  (  9.868,   3.363,  12.266)  ( 0.02,  0.00,  0.02)
162:     torsion ( -0.024,  -0.006,   0.020)  ( -0.023,  -0.006,   0.020)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -2.417,  -3.477,  -3.780)  ( -2.417,  -3.477,  -3.780)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.594,  -0.611,  -0.759)  ( -0.594,  -0.611,  -0.759)  ( 0.00,  0.00,  0.00)
162: 43       ( 58.073,  -1.976,   2.889)  ( 58.087,  -1.973,   2.891)  ( 0.02,  0.13,  0.10)
162:     bond    ( 58.666,  -3.179,  -7.229)  ( 58.680,  -3.178,  -7.228)  ( 0.02,  0.01,  0.01)
162:     angle   (  1.855,   1.963,  14.192)  (  1.855,   1.965,  14.195)  ( 0.00,  0.11,  0.02)
162:     torsion (  0.010,  -0.247,   0.188)  (  0.010,  -0.247,   0.188)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.755,  -0.423,  -3.552)  ( -1.755,  -0.423,  -3.552)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.703,  -0.090,  -0.712)  ( -0.703,  -0.090,  -0.712)  ( 0.00,  0.00,  0.00)
162: 44       ( -2.553, -17.136,  55.620)  ( -2.550, -17.132,  55.633)  ( 0.12,  0.02,  0.02)
162:     bond    (-11.943, -20.711,  54.183)  (-11.942, -20.709,  54.195)  ( 0.01,  0.01,  0.02)
162:     angle   ( 12.833,   4.621,   4.594)  ( 12.835,   4.623,   4.595)  ( 0.02,  0.04,  0.01)
162:     torsion (  0.297,  -0.227,  -0.021)  (  0.297,  -0.227,  -0.021)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.070,  -0.743,  -2.352)  ( -3.070,  -0.743,  -2.352)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.671,  -0.076,  -0.784)  ( -0.671,  -0.076,  -0.784)  ( 0.00,  0.00,  0.00)
162: 45       ( 27.102,  34.168,   8.332)  ( 27.110,  34.177,   8.334)  ( 0.03,  0.03,  0.02)
162:     bond    ( 31.075,  30.987,   6.962)  ( 31.082,  30.994,   6.962)  ( 0.02,  0.02,  0.01)
162:     angle   ( -4.082,   3.876,   0.958)  ( -4.081,   3.877,   0.958)  ( 0.04,  0.04,  0.01)
162:     torsion ( -0.015,   0.166,  -0.674)  ( -0.015,   0.166,  -0.673)  ( 0.00,  0.00,  0.09)
162:     oop     (  0.003,  -0.054,   0.224)  (  0.003,  -0.054,   0.224)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.670,  -2.499,   0.018)  (  1.670,  -2.499,   0.018)  ( 0.01,  0.00,  0.00)
162:     electro ( -1.550,   1.693,   0.844)  ( -1.550,   1.693,   0.844)  ( 0.00,  0.00,  0.00)
162: 46       (  1.997,  42.527,  11.125)  (  2.002,  42.540,  11.127)  ( 0.24,  0.03,  0.02)
162:     bond    ( -7.218,  36.059,   9.415)  ( -7.217,  36.072,   9.416)  ( 0.01,  0.04,  0.01)
162:     angle   ( 33.747,   6.444,   1.182)  ( 33.751,   6.444,   1.182)  ( 0.01,  0.00,  0.00)
162:     torsion (  0.021,  -0.670,   2.582)  (  0.021,  -0.670,   2.583)  ( 0.00,  0.01,  0.05)
162:     oop     (  0.010,  -0.092,   0.361)  (  0.010,  -0.092,   0.361)  ( 0.00,  0.00,  0.00)
162:     vdw     (-23.961,  -0.589,  -2.766)  (-23.960,  -0.589,  -2.766)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.603,   1.374,   0.352)  ( -0.603,   1.374,   0.352)  ( 0.00,  0.00,  0.00)
162: 47       (  9.288, -38.945, -13.120)  (  9.293, -38.932, -13.118)  ( 0.05,  0.03,  0.02)
162:     bond    ( 11.188, -38.851, -10.799)  ( 11.189, -38.839, -10.798)  ( 0.01,  0.03,  0.01)
162:     angle   ( 14.206,   3.896,   0.711)  ( 14.210,   3.896,   0.711)  ( 0.02,  0.01,  0.00)
162:     torsion ( -0.076,   1.280,  -4.685)  ( -0.076,   1.281,  -4.684)  ( 0.00,  0.01,  0.03)
162:     oop     (  0.019,   0.262,  -0.924)  (  0.019,   0.262,  -0.924)  ( 0.00,  0.00,  0.01)
162:     vdw     (-16.315,  -5.485,   2.850)  (-16.314,  -5.485,   2.850)  ( 0.00,  0.00,  0.00)
162:     electro (  0.265,  -0.047,  -0.273)  (  0.265,  -0.047,  -0.273)  ( 0.00,  0.00,  0.00)
162: 48       (-60.403,  -5.035,  21.722)  (-60.390,  -5.032,  21.726)  ( 0.02,  0.06,  0.01)
162:     bond    (-64.105,  -1.676,  15.103)  (-64.092,  -1.676,  15.104)  ( 0.02,  0.02,  0.01)
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163:     bond    (-28.447, -159.003,  29.684)  (-28.413, -158.965,  29.719)  ( 0.12,  0.02,  0.12)
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163:     bond    ( 11.301,  32.987,  -2.137)  ( 11.337,  33.023,  -2.101)  ( 0.32,  0.11,  1.69)
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163:     bond    ( 23.122, -25.258,  29.921)  ( 23.158, -25.222,  29.958)  ( 0.16,  0.14,  0.12)
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163:     torsion ( -9.097,  -1.641,   0.497)  ( -9.097,  -1.640,   0.497)  ( 0.00,  0.02,  0.00)
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163:     bond    (239.288,   1.092, -29.295)  (239.327,   1.126, -29.259)  ( 0.02,  3.11,  0.12)
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163:     torsion ( -7.170,  -3.843,   5.011)  ( -7.169,  -3.842,   5.012)  ( 0.01,  0.02,  0.01)
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163: 23       (-11.747,  14.520, -78.438)  (-11.700,  14.568, -78.390)  ( 0.40,  0.33,  0.06)
163:     bond    (-71.103, -56.281,  36.238)  (-71.066, -56.245,  36.274)  ( 0.05,  0.06,  0.10)
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163:     bond    (102.715, -66.398, -21.758)  (102.751, -66.360, -21.722)  ( 0.03,  0.06,  0.16)
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163:     angle   (101.310, -53.221, -82.739)  (101.321, -53.210, -82.729)  ( 0.01,  0.02,  0.01)
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163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wbb_ro3.sdf
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162:     vdw     ( -0.001,   0.692,  -0.603)  ( -0.001,   0.692,  -0.603)  ( 0.00,  0.00,  0.00)
162:     electro (  1.754,  -0.400,  -0.643)  (  1.754,  -0.400,  -0.643)  ( 0.00,  0.00,  0.00)
162: 49       (  6.656,  15.165,  51.683)  (  6.661,  15.170,  51.692)  ( 0.08,  0.03,  0.02)
162:     bond    ( 22.852,  22.698,  38.776)  ( 22.855,  22.701,  38.784)  ( 0.01,  0.01,  0.02)
162:     angle   (-29.656,  -3.057,  19.263)  (-29.655,  -3.055,  19.263)  ( 0.01,  0.07,  0.00)
162:     torsion (  0.273,   0.567,  -0.493)  (  0.274,   0.567,  -0.493)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 11.331,  -3.920,  -4.538)  ( 11.332,  -3.920,  -4.538)  ( 0.00,  0.00,  0.00)
162:     electro (  1.856,  -1.123,  -1.324)  (  1.856,  -1.123,  -1.324)  ( 0.00,  0.00,  0.00)
162: 50       (-19.312,  60.730,  -2.431)  (-19.308,  60.742,  -2.429)  ( 0.02,  0.02,  0.11)
162:     bond    (-22.985,  58.803,   4.459)  (-22.983,  58.816,   4.459)  ( 0.01,  0.02,  0.01)
162:     angle   (  3.694,   2.016,  -7.548)  (  3.695,   2.016,  -7.546)  ( 0.05,  0.01,  0.03)
162:     torsion (  0.076,   0.028,   0.025)  (  0.076,   0.028,   0.025)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.302,  -0.163,   0.422)  ( -0.302,  -0.163,   0.422)  ( 0.00,  0.00,  0.00)
162:     electro (  0.205,   0.045,   0.211)  (  0.205,   0.045,   0.211)  ( 0.00,  0.00,  0.00)
162: 51       ( 53.698,   9.523, -25.687)  ( 53.711,   9.525, -25.684)  ( 0.02,  0.03,  0.01)
162:     bond    ( 54.442,   4.355, -16.447)  ( 54.455,   4.355, -16.445)  ( 0.02,  0.01,  0.01)
162:     angle   ( -6.098,  11.773, -17.075)  ( -6.098,  11.775, -17.073)  ( 0.00,  0.02,  0.01)
162:     torsion ( -0.007,  -0.072,  -0.041)  ( -0.007,  -0.072,  -0.041)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  4.822,  -6.594,   7.573)  (  4.822,  -6.594,   7.573)  ( 0.00,  0.00,  0.00)
162:     electro (  0.538,   0.061,   0.303)  (  0.538,   0.061,   0.303)  ( 0.00,  0.00,  0.00)
162: 52       (-27.923, -23.350, -51.173)  (-27.918, -23.345, -51.164)  ( 0.02,  0.02,  0.02)
162:     bond    (-31.596, -29.504, -46.330)  (-31.592, -29.500, -46.323)  ( 0.01,  0.01,  0.02)
162:     angle   (  3.410,   6.639,  -6.557)  (  3.412,   6.641,  -6.556)  ( 0.04,  0.03,  0.02)
162:     torsion ( -0.166,   0.111,   0.042)  ( -0.166,   0.111,   0.042)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.262,  -0.833,   1.812)  (  0.262,  -0.833,   1.812)  ( 0.00,  0.00,  0.00)
162:     electro (  0.167,   0.237,  -0.139)  (  0.167,   0.237,  -0.139)  ( 0.00,  0.00,  0.00)
162: 53       ( 12.631, -21.243,  -9.249)  ( 12.635, -21.226,  -9.248)  ( 0.03,  0.08,  0.01)
162:     bond    (  1.828, -15.373,   2.162)  (  1.828, -15.357,   2.162)  ( 0.01,  0.11,  0.01)
162:     angle   (  8.565,   1.417,   2.819)  (  8.568,   1.417,   2.819)  ( 0.04,  0.01,  0.02)
162:     torsion (  1.344,  -0.306,  -3.313)  (  1.344,  -0.306,  -3.312)  ( 0.01,  0.00,  0.02)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.500,   1.282,   1.201)  (  0.500,   1.282,   1.201)  ( 0.00,  0.00,  0.00)
162:     electro (  0.394,  -8.262, -12.118)  (  0.394,  -8.262, -12.118)  ( 0.00,  0.00,  0.00)
162: 54       (-14.784, -53.918,  -1.022)  (-14.780, -53.905,  -1.020)  ( 0.03,  0.02,  0.23)
162:     bond    (-18.551, -53.271,  -2.633)  (-18.549, -53.258,  -2.632)  ( 0.01,  0.02,  0.01)
162:     angle   (  1.160,  -0.437,   0.650)  (  1.162,  -0.437,   0.652)  ( 0.18,  0.01,  0.13)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.402,  -0.248,   0.900)  (  2.402,  -0.248,   0.900)  ( 0.00,  0.00,  0.00)
162:     electro (  0.204,   0.038,   0.061)  (  0.204,   0.038,   0.061)  ( 0.00,  0.00,  0.00)
162: 55       (-30.552,  23.822,  40.548)  (-30.546,  23.827,  40.555)  ( 0.02,  0.02,  0.02)
162:     bond    (-33.370,  29.535,  35.300)  (-33.365,  29.539,  35.305)  ( 0.02,  0.01,  0.02)
162:     angle   ( -0.150,  -6.357,   5.176)  ( -0.149,  -6.355,   5.177)  ( 0.02,  0.02,  0.03)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  2.225,   1.329,  -0.281)  (  2.225,   1.329,  -0.281)  ( 0.00,  0.00,  0.00)
162:     electro (  0.743,  -0.686,   0.354)  (  0.743,  -0.686,   0.354)  ( 0.00,  0.00,  0.00)
162: 56       (  4.719,  16.441, -53.633)  (  4.722,  16.445, -53.621)  ( 0.06,  0.03,  0.02)
162:     bond    ( -0.778,  22.587, -52.280)  ( -0.778,  22.589, -52.268)  ( 0.02,  0.01,  0.02)
162:     angle   (  3.260,  -6.806,  -2.990)  (  3.263,  -6.805,  -2.989)  ( 0.07,  0.02,  0.01)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  1.444,   1.315,   1.369)  (  1.444,   1.315,   1.369)  ( 0.00,  0.00,  0.00)
162:     electro (  0.792,  -0.655,   0.268)  (  0.792,  -0.655,   0.268)  ( 0.00,  0.00,  0.00)
162: 57       ( -1.732, -47.778, -45.510)  ( -1.730, -47.767, -45.503)  ( 0.15,  0.02,  0.01)
162:     bond    (  3.795, -54.841, -38.148)  (  3.796, -54.832, -38.144)  ( 0.01,  0.02,  0.01)
162:     angle   ( -2.631,   5.826,  -8.640)  ( -2.629,   5.827,  -8.638)  ( 0.08,  0.01,  0.02)
162:     torsion (  0.589,  -0.017,   0.083)  (  0.589,  -0.017,   0.083)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -4.066,   1.758,   0.897)  ( -4.066,   1.758,   0.897)  ( 0.00,  0.00,  0.00)
162:     electro (  0.581,  -0.504,   0.299)  (  0.581,  -0.504,   0.299)  ( 0.00,  0.00,  0.00)
162: 58       ( 50.420,  36.227, -10.971)  ( 50.432,  36.232, -10.968)  ( 0.02,  0.01,  0.03)
162:     bond    ( 55.952,  31.133,  -6.287)  ( 55.963,  31.136,  -6.286)  ( 0.02,  0.01,  0.01)
162:     angle   ( -2.282,   2.522,  -7.819)  ( -2.282,   2.523,  -7.817)  ( 0.02,  0.07,  0.03)
162:     torsion (  0.052,  -0.097,  -0.018)  (  0.052,  -0.097,  -0.018)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -3.740,   3.140,   2.809)  ( -3.740,   3.140,   2.809)  ( 0.00,  0.00,  0.00)
162:     electro (  0.439,  -0.470,   0.344)  (  0.439,  -0.470,   0.344)  ( 0.00,  0.00,  0.00)
162: 59       (-56.455, -35.574,   6.114)  (-56.444, -35.569,   6.117)  ( 0.02,  0.02,  0.05)
162:     bond    (-59.090, -35.589,   6.014)  (-59.080, -35.585,   6.015)  ( 0.02,  0.01,  0.01)
162:     angle   (  1.971,  -2.844,   2.547)  (  1.971,  -2.842,   2.550)  ( 0.03,  0.05,  0.09)
162:     torsion ( -0.002,  -0.041,  -0.260)  ( -0.002,  -0.041,  -0.260)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.254,   2.953,  -2.641)  (  0.254,   2.953,  -2.641)  ( 0.00,  0.00,  0.00)
162:     electro (  0.412,  -0.053,   0.454)  (  0.412,  -0.053,   0.454)  ( 0.00,  0.00,  0.00)
162: 60       ( 50.380, -43.074,  21.150)  ( 50.389, -43.067,  21.153)  ( 0.02,  0.02,  0.02)
162:     bond    ( 52.215, -43.110,  20.266)  ( 52.222, -43.104,  20.268)  ( 0.02,  0.01,  0.01)
162:     angle   ( -0.583,  -0.346,   0.764)  ( -0.582,  -0.345,   0.766)  ( 0.05,  0.05,  0.17)
162:     torsion ( -1.138,  -1.119,   0.554)  ( -1.138,  -1.119,   0.554)  ( 0.01,  0.01,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.230,   1.391,  -0.524)  ( -0.230,   1.391,  -0.524)  ( 0.00,  0.00,  0.00)
162:     electro (  0.117,   0.110,   0.090)  (  0.117,   0.110,   0.090)  ( 0.00,  0.00,  0.00)
162: 61       ( -6.760,  -9.653,  62.290)  ( -6.757,  -9.649,  62.303)  ( 0.04,  0.04,  0.02)
162:     bond    ( -5.707, -18.261,  60.173)  ( -5.707, -18.260,  60.185)  ( 0.01,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wbd_ro5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wc3_am3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wc4_amf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wc5_bom.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wca_np6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wcg_mt5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wch_b7m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wcj_m21.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wcl_b8m.sdf
166:     angle   ( 12.507,   0.572,   0.600)  ( 12.509,   0.573,   0.602)  ( 0.02,  0.10,  0.10)
166:     strbnd  (  0.608,  -3.802,   1.723)  (  0.607,  -3.803,   1.722)  ( 0.05,  0.02,  0.03)
166:     torsion ( -1.338,   1.223,  -0.733)  ( -1.338,   1.223,  -0.733)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.970,   7.085,  -4.139)  ( -1.970,   7.085,  -4.139)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 24       (  0.006,  -0.005,   0.058)  (  0.012,   0.000,   0.060)  ( 0.00,  0.00,  0.02)
166:     bond    ( -0.866, -18.509,   3.882)  ( -0.862, -18.505,   3.887)  ( 0.40,  0.02,  0.12)
166:     angle   (  5.959,  26.024,  -8.109)  (  5.962,  26.026,  -8.108)  ( 0.04,  0.01,  0.02)
166:     strbnd  (-10.525,  -2.634,   0.562)  (-10.527,  -2.635,   0.562)  ( 0.02,  0.03,  0.02)
166:     torsion ( -0.876,  -1.089,   1.253)  ( -0.876,  -1.089,   1.253)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.001,   0.002,   0.014)  ( -0.000,   0.002,   0.010)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.349,  -4.597,   0.926)  (  2.349,  -4.597,   0.926)  ( 0.01,  0.00,  0.00)
166:     electro (  3.966,   0.797,   1.529)  (  3.966,   0.797,   1.529)  ( 0.00,  0.00,  0.00)
166: 25       ( -0.014,  -0.101,  -0.165)  ( -0.009,  -0.095,  -0.159)  ( 0.01,  0.06,  0.10)
166:     bond    ( -3.870,  12.275,  -0.924)  ( -3.866,  12.279,  -0.920)  ( 0.10,  0.03,  0.41)
166:     angle   ( -5.572, -18.333,   5.423)  ( -5.570, -18.330,   5.425)  ( 0.04,  0.01,  0.03)
166:     strbnd  ( -1.114,  -2.631,  -0.165)  ( -1.115,  -2.631,  -0.166)  ( 0.10,  0.02,  0.00)
166:     torsion (  3.318,  -0.490,  -3.647)  (  3.318,  -0.490,  -3.647)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  7.225,   9.078,  -0.852)  (  7.225,   9.078,  -0.852)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 26       ( -0.228,   0.018,   0.143)  ( -0.223,   0.024,   0.149)  ( 0.11,  0.01,  0.08)
166:     bond    (  4.426, -15.861,  -0.954)  (  4.429, -15.857,  -0.949)  ( 0.08,  0.03,  0.45)
166:     angle   ( -8.266,  12.873,  -7.689)  ( -8.264,  12.875,  -7.687)  ( 0.02,  0.02,  0.03)
166:     strbnd  (  1.193,   5.294,   4.137)  (  1.192,   5.293,   4.136)  ( 0.07,  0.01,  0.03)
166:     torsion ( -0.164,  -0.701,   3.652)  ( -0.164,  -0.701,   3.652)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.542,  -1.377,   0.272)  ( -0.542,  -1.377,   0.272)  ( 0.01,  0.00,  0.00)
166:     electro (  3.125,  -0.209,   0.725)  (  3.125,  -0.209,   0.725)  ( 0.00,  0.00,  0.00)
166: 27       ( -0.131,   0.200,   0.315)  ( -0.126,   0.205,   0.322)  ( 0.06,  0.11,  0.19)
166:     bond    ( -1.243,  14.723,   1.076)  ( -1.239,  14.727,   1.080)  ( 0.30,  0.03,  0.41)
166:     angle   ( -2.830, -11.271,   1.923)  ( -2.828, -11.269,   1.924)  ( 0.07,  0.02,  0.10)
166:     strbnd  (  1.105,  -0.095,   0.631)  (  1.104,  -0.095,   0.630)  ( 0.10,  0.01,  0.02)
166:     torsion (  1.263,  -4.544,  -4.977)  (  1.263,  -4.544,  -4.977)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.574,   1.387,   1.663)  (  1.574,   1.387,   1.663)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 28       ( -0.164,   0.308,   0.056)  ( -0.159,   0.314,   0.060)  ( 0.08,  0.19,  0.03)
166:     bond    ( -2.953, -11.140,   2.764)  ( -2.949, -11.136,   2.768)  ( 0.12,  0.04,  0.15)
166:     angle   ( -6.707,  11.635,   3.591)  ( -6.705,  11.637,   3.594)  ( 0.03,  0.02,  0.06)
166:     strbnd  (  1.933,  -1.383,  -4.721)  (  1.932,  -1.383,  -4.722)  ( 0.05,  0.02,  0.03)
166:     torsion ( -0.767,   1.045,   0.680)  ( -0.767,   1.045,   0.680)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.685,  -1.579,   0.134)  ( -1.684,  -1.579,   0.134)  ( 0.01,  0.00,  0.00)
166:     electro ( 10.015,   1.730,  -2.393)  ( 10.015,   1.730,  -2.393)  ( 0.00,  0.00,  0.00)
166: 29       ( -0.089,   0.132,  -0.028)  ( -0.179,   0.268,   0.043)  ( 0.80,  1.80,  0.20)
166:     bond    ( -3.268,   7.249,   5.605)  ( -3.264,   7.254,   5.609)  ( 0.11,  0.06,  0.08)
166:     angle   (  1.228,  -5.262,  -5.708)  (  1.229,  -5.261,  -5.706)  ( 0.14,  0.03,  0.04)
166:     strbnd  ( -1.075,   1.910,   2.578)  ( -1.075,   1.910,   2.578)  ( 0.06,  0.02,  0.02)
166:     torsion ( -1.983,  -2.819,  -0.108)  ( -1.983,  -2.819,  -0.108)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.919,  -1.262,  -0.629)  (  0.825,  -1.132,  -0.564)  ( 8.72, 10.33,  4.10)
166:     vdw     (  3.898,  -0.356,  -3.193)  (  3.898,  -0.356,  -3.193)  ( 0.00,  0.00,  0.00)
166:     electro (  0.191,   0.672,   1.426)  (  0.191,   0.672,   1.426)  ( 0.00,  0.00,  0.00)
166: 30       ( -1.041,   1.402,   0.516)  ( -0.321,   0.483,   0.053)  (69.21, 65.53, 23.86)
166:     bond    ( -1.273,  -3.810,   6.037)  ( -1.269,  -3.807,   6.047)  ( 0.30,  0.07,  0.16)
166:     angle   (  1.224,   1.913,   5.350)  (  1.225,   1.914,   5.352)  ( 0.15,  0.07,  0.03)
166:     strbnd  ( -1.468,   0.550,  -3.069)  ( -1.469,   0.549,  -3.071)  ( 0.07,  0.04,  0.07)
166:     torsion ( -0.091,   0.173,   0.599)  ( -0.091,   0.173,   0.599)  ( 0.00,  0.00,  0.00)
166:     oop     ( -3.638,   4.815,   2.435)  ( -2.922,   3.893,   1.963)  (19.69, 19.15, 19.39)
166:     vdw     (  6.948,  -1.148,  -6.767)  (  6.948,  -1.148,  -6.767)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.744,  -1.090,  -4.069)  ( -2.744,  -1.090,  -4.069)  ( 0.00,  0.00,  0.00)
166: 31       (  0.881,  -1.368,  -1.069)  (  0.567,  -0.962,  -0.854)  (27.76, 29.71, 20.14)
166:     bond    (  0.058,   0.328,  -0.551)  (  0.058,   0.330,  -0.546)  ( 0.00,  0.06,  0.28)
166:     angle   ( -2.127,  -1.116,  -0.901)  ( -2.127,  -1.116,  -0.901)  ( 0.03,  0.02,  0.01)
166:     strbnd  ( -0.372,  -0.811,   1.064)  ( -0.372,  -0.811,   1.064)  ( 0.00,  0.01,  0.01)
166:     torsion (  0.357,  -0.491,  -0.258)  (  0.357,  -0.491,  -0.258)  ( 0.00,  0.00,  0.00)
166:     oop     (  1.362,  -1.784,  -0.930)  (  1.047,  -1.380,  -0.720)  (23.18, 22.66, 19.55)
166:     vdw     (  3.653,   3.015,  -1.101)  (  3.653,   3.015,  -1.101)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.050,  -0.510,   1.609)  ( -2.050,  -0.510,   1.609)  ( 0.00,  0.00,  0.00)
166: 32       ( -0.790,   1.265,   0.167)  ( -1.091,   1.654,   0.369)  (23.83, 30.79,  3.37)
166:     bond    ( -3.495,  -0.110,  -5.185)  ( -3.493,  -0.110,  -5.181)  ( 0.06,  0.00,  0.09)
166:     angle   (  0.338,   0.315,  -0.235)  (  0.339,   0.316,  -0.235)  ( 0.01,  0.02,  0.00)
166:     strbnd  (  0.426,  -0.497,   1.754)  (  0.426,  -0.497,   1.754)  ( 0.01,  0.00,  0.01)
166:     torsion ( -0.160,   0.219,   0.103)  ( -0.160,   0.219,   0.103)  ( 0.00,  0.00,  0.00)
166:     oop     (  1.355,  -1.770,  -0.876)  (  1.050,  -1.382,  -0.679)  (22.48, 21.97, 17.28)
166:     vdw     (  8.930,   2.395,  -1.527)  (  8.930,   2.395,  -1.527)  ( 0.00,  0.00,  0.00)
166:     electro ( -8.183,   0.713,   6.132)  ( -8.183,   0.713,   6.132)  ( 0.00,  0.00,  0.00)
166: 33       ( -0.924,   0.360,  -0.139)  ( -0.923,   0.367,  -0.135)  ( 0.06,  0.24,  0.05)
166:     bond    ( -0.019,  -1.678,  -1.610)  ( -0.019,  -1.671,  -1.608)  ( 0.00,  0.37,  0.18)
166:     angle   (  8.749,  -2.680,   5.549)  (  8.750,  -2.680,   5.550)  ( 0.01,  0.01,  0.02)
166:     strbnd  (  0.282,  -2.395,  -3.567)  (  0.282,  -2.395,  -3.567)  ( 0.00,  0.00,  0.01)
166:     torsion ( -0.756,   0.926,  -0.619)  ( -0.756,   0.926,  -0.619)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.059,   4.362,   2.702)  (  2.059,   4.362,   2.702)  ( 0.01,  0.00,  0.00)
166:     electro (-11.239,   1.825,  -2.594)  (-11.239,   1.825,  -2.594)  ( 0.00,  0.00,  0.00)
166: 34       (  0.039,   0.551,   0.057)  (  0.045,   0.552,   0.061)  ( 0.02,  0.04,  0.02)
166:     bond    ( 13.740,   3.045, -11.264)  ( 13.745,   3.046, -11.261)  ( 0.04,  0.01,  0.03)
166:     angle   (  3.434,  -0.862,  -3.531)  (  3.435,  -0.861,  -3.530)  ( 0.02,  0.04,  0.03)
166:     strbnd  ( -0.868,  -0.657,   2.046)  ( -0.868,  -0.658,   2.046)  ( 0.01,  0.00,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wcm_b9m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wd1_zzy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wd2_ms5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wd3_ms4.sdf
162:     angle   ( -2.134,   9.751,   2.757)  ( -2.132,   9.754,   2.757)  ( 0.09,  0.02,  0.01)
162:     torsion (  0.825,  -0.029,   0.070)  (  0.825,  -0.029,   0.070)  ( 0.01,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.163,  -1.019,  -0.626)  (  0.163,  -1.019,  -0.626)  ( 0.00,  0.00,  0.00)
162:     electro (  0.093,  -0.096,  -0.083)  (  0.093,  -0.096,  -0.083)  ( 0.00,  0.00,  0.00)
162: 62       ( 48.800,  36.802,  -0.913)  ( 48.811,  36.808,  -0.910)  ( 0.02,  0.02,  0.23)
162:     bond    ( 52.179,  33.691,  -4.765)  ( 52.189,  33.695,  -4.765)  ( 0.02,  0.01,  0.01)
162:     angle   ( -2.735,   5.228,   7.025)  ( -2.734,   5.229,   7.028)  ( 0.02,  0.03,  0.03)
162:     torsion ( -0.332,   0.433,  -0.571)  ( -0.332,   0.433,  -0.571)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.358,  -2.314,  -2.542)  ( -0.358,  -2.314,  -2.542)  ( 0.00,  0.00,  0.00)
162:     electro (  0.045,  -0.235,  -0.060)  (  0.045,  -0.235,  -0.060)  ( 0.00,  0.00,  0.00)
162: 63       (-44.626,  39.990,  -8.474)  (-44.617,  39.997,  -8.471)  ( 0.02,  0.02,  0.04)
162:     bond    (-46.989,  36.366, -12.293)  (-46.980,  36.371, -12.293)  ( 0.02,  0.01,  0.01)
162:     angle   (  1.890,   6.515,  12.055)  (  1.890,   6.517,  12.057)  ( 0.04,  0.02,  0.02)
162:     torsion ( -0.548,  -0.498,   0.621)  ( -0.548,  -0.498,   0.621)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  0.844,  -2.227,  -8.803)  (  0.844,  -2.227,  -8.803)  ( 0.00,  0.00,  0.00)
162:     electro (  0.176,  -0.165,  -0.054)  (  0.176,  -0.165,  -0.054)  ( 0.00,  0.00,  0.00)
162: ok 36 # gradients 
162: ok 37 # energy 
162: 
162: V A L I D A T E   G R A D I E N T S
162: 
162: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
162: ----------------------------------------------------------------------------------------
162:  1       (217.044, -41.967,   0.965)  (217.081, -41.921,   0.968)  ( 0.02,  0.11,  0.32)
162:     bond    ( 98.283, -136.446,   0.429)  ( 98.310, -136.411,   0.430)  ( 0.03,  0.03,  0.03)
162:     angle   (108.109,  94.020,  -0.224)  (108.119,  94.030,  -0.224)  ( 0.01,  0.01,  0.00)
162:     torsion ( -0.000,   0.002,   0.769)  ( -0.000,   0.002,   0.772)  ( 0.00,  0.00,  0.21)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (  6.972,   1.025,  -0.006)  (  6.972,   1.026,  -0.006)  ( 0.00,  0.02,  0.00)
162:     electro (  3.680,  -0.569,  -0.004)  (  3.680,  -0.569,  -0.004)  ( 0.00,  0.00,  0.00)
162:  2       (-47.166, -62.201,   0.047)  (-47.133, -62.163,   0.053)  ( 0.07,  0.06,  0.03)
162:     bond    (  2.183, -37.674,  -0.047)  (  2.207, -37.646,  -0.047)  ( 1.12,  0.07,  0.00)
162:     angle   (-48.885, -24.699,   0.210)  (-48.876, -24.689,   0.211)  ( 0.02,  0.04,  0.03)
162:     torsion ( -0.000,  -0.001,  -0.116)  ( -0.000,  -0.001,  -0.111)  ( 0.00,  0.00,  0.06)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.464,   0.172,  -0.000)  ( -0.464,   0.172,  -0.000)  ( 0.00,  0.00,  0.00)
162:  3       ( -0.007,  -0.199,  -0.169)  (  0.025,  -0.163,  -0.163)  ( 0.02,  0.71,  0.09)
162:     bond    ( -8.735,  15.518,   0.028)  ( -8.712,  15.547,   0.027)  ( 0.27,  0.18,  0.00)
162:     angle   ( 32.220, -21.912,  -0.057)  ( 32.229, -21.905,  -0.057)  ( 0.03,  0.03,  0.00)
162:     torsion ( -0.000,   0.000,  -0.167)  ( -0.000,   0.000,  -0.162)  ( 0.00,  0.00,  0.10)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-21.286,   6.216,   0.027)  (-21.286,   6.216,   0.027)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.206,  -0.021,   0.001)  ( -2.206,  -0.021,   0.001)  ( 0.00,  0.00,  0.00)
162:  4       ( 48.113,  21.924,  -0.078)  ( 48.140,  21.952,  -0.052)  ( 0.06,  0.12,  0.21)
162:     bond    (  5.579,   9.409,  -0.160)  (  5.598,   9.427,  -0.141)  ( 0.34,  0.20,  0.30)
162:     angle   ( 55.601,  17.739,  -0.020)  ( 55.610,  17.748,  -0.014)  ( 0.02,  0.05,  0.01)
162:     torsion (  0.000,  -0.000,   0.125)  (  0.000,  -0.000,   0.125)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-12.294,  -5.214,  -0.022)  (-12.294,  -5.214,  -0.022)  ( 0.00,  0.00,  0.00)
162:     electro ( -0.773,  -0.009,  -0.001)  ( -0.773,  -0.009,  -0.001)  ( 0.00,  0.00,  0.00)
162:  5       ( 32.755, -22.139,  -0.348)  ( 32.766, -22.118,  -0.348)  ( 0.03,  0.10,  0.02)
162:     bond    ( -4.057,  -6.858,  -0.005)  ( -4.050,  -6.838,  -0.005)  ( 0.17,  0.29,  0.00)
162:     angle   ( -2.186,   1.292,  -0.127)  ( -2.183,   1.293,  -0.127)  ( 0.14,  0.08,  0.00)
162:     torsion (  0.001,  -0.000,  -0.181)  (  0.001,  -0.000,  -0.180)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 38.247,  -9.107,  -0.046)  ( 38.248,  -9.107,  -0.046)  ( 0.00,  0.00,  0.00)
162:     electro (  0.751,  -7.466,   0.010)  (  0.751,  -7.466,   0.010)  ( 0.00,  0.00,  0.00)
162:  6       (-165.539,  22.277,  -0.538)  (-165.515,  22.298,  -0.537)  ( 0.01,  0.09,  0.04)
162:     bond    (-102.426, 142.178,  -0.414)  (-102.405, 142.193,  -0.414)  ( 0.02,  0.01,  0.02)
162:     angle   (-102.464, -133.859,   0.470)  (-102.461, -133.854,   0.469)  ( 0.00,  0.00,  0.05)
162:     torsion ( -0.000,  -0.002,  -0.668)  ( -0.000,  -0.002,  -0.667)  ( 0.00,  0.00,  0.08)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( 44.794,  13.953,   0.080)  ( 44.796,  13.953,   0.080)  ( 0.00,  0.00,  0.00)
162:     electro ( -5.443,   0.007,  -0.005)  ( -5.443,   0.007,  -0.005)  ( 0.00,  0.00,  0.00)
162:  7       (-20.820,  26.022,   0.060)  (-20.805,  26.025,   0.061)  ( 0.07,  0.01,  0.01)
162:     bond    (-20.292,   0.224,   0.019)  (-20.278,   0.223,   0.019)  ( 0.07,  0.00,  0.00)
162:     angle   (  0.222,  20.146,   0.024)  (  0.222,  20.149,   0.024)  ( 0.00,  0.02,  0.00)
162:     torsion (  0.000,  -0.000,   0.009)  (  0.000,  -0.000,   0.010)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -1.726,   5.394,   0.008)  ( -1.726,   5.394,   0.008)  ( 0.00,  0.00,  0.00)
162:     electro (  0.976,   0.259,   0.001)  (  0.976,   0.259,   0.001)  ( 0.00,  0.00,  0.00)
162:  8       (-23.697,  38.579,   0.065)  (-23.690,  38.590,   0.066)  ( 0.03,  0.03,  0.01)
162:     bond    ( 10.313,  17.407,   0.011)  ( 10.317,  17.417,   0.011)  ( 0.04,  0.06,  0.00)
162:     angle   (-17.330,  10.263,   0.028)  (-17.328,  10.264,   0.028)  ( 0.01,  0.01,  0.00)
162:     torsion ( -0.000,   0.000,  -0.005)  ( -0.000,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-19.009,  11.655,   0.032)  (-19.008,  11.656,   0.032)  ( 0.00,  0.00,  0.00)
162:     electro (  2.329,  -0.747,  -0.001)  (  2.329,  -0.747,  -0.001)  ( 0.00,  0.00,  0.00)
162:  9       (-41.100, -31.821,  -0.090)  (-41.092, -31.812,  -0.088)  ( 0.02,  0.03,  0.02)
162:     bond    (  3.583,  -4.301,  -0.008)  (  3.589,  -4.293,  -0.008)  ( 0.16,  0.19,  0.00)
162:     angle   (-11.835,  -9.893,  -0.020)  (-11.834,  -9.892,  -0.018)  ( 0.01,  0.01,  0.00)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     (-34.686, -18.266,  -0.067)  (-34.685, -18.266,  -0.067)  ( 0.00,  0.00,  0.00)
162:     electro (  1.838,   0.640,   0.005)  (  1.838,   0.640,   0.005)  ( 0.00,  0.00,  0.00)
162: 10       ( -8.246, -17.014,   1.017)  ( -8.240, -17.012,   1.027)  ( 0.07,  0.01,  0.99)
162:     bond    ( -3.280,  -0.271,   4.647)  ( -3.275,  -0.271,   4.656)  ( 0.14,  0.00,  0.20)
162:     angle   ( -5.220, -13.791,  -4.475)  ( -5.218, -13.789,  -4.474)  ( 0.03,  0.02,  0.02)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.189,  -0.747,  -0.284)  ( -1.189,  -0.747,  -0.284)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.797,   1.923,  -1.593)  ( -3.797,   1.923,  -1.593)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 35       (  0.727,   0.236,   0.113)  (  0.728,   0.237,   0.115)  ( 0.07,  0.02,  0.03)
164:     bond    ( -1.135,   1.111,   3.160)  ( -1.134,   1.111,   3.163)  ( 0.03,  0.03,  0.08)
164:     angle   (  2.191,   0.137,   0.737)  (  2.191,   0.138,   0.737)  ( 0.03,  0.01,  0.01)
164:     strbnd  (  1.028,  -1.182,  -0.643)  (  1.028,  -1.182,  -0.643)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.059,  -1.190,   0.439)  (  0.059,  -1.190,   0.439)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.416,   1.359,  -3.581)  ( -1.416,   1.359,  -3.581)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 36       (  0.488,   0.270,  -0.116)  (  0.489,   0.274,  -0.116)  ( 0.04,  0.09,  0.01)
164:     bond    (  0.456,  -2.299,   0.220)  (  0.456,  -2.296,   0.220)  ( 0.01,  0.14,  0.00)
164:     angle   (  2.467,   0.624,   1.393)  (  2.468,   0.624,   1.393)  ( 0.02,  0.00,  0.04)
164:     strbnd  (  0.024,   1.326,   0.945)  (  0.024,   1.326,   0.945)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.177,  -0.003,  -0.400)  (  0.177,  -0.003,  -0.399)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.636,   0.622,  -2.274)  ( -2.636,   0.622,  -2.274)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 37       (  0.151,   1.287,   0.431)  (  0.152,   1.288,   0.434)  ( 0.02,  0.05,  0.13)
164:     bond    (  1.073,  -0.388,  -2.975)  (  1.074,  -0.388,  -2.972)  ( 0.04,  0.00,  0.10)
164:     angle   ( -0.794,   2.840,  -0.658)  ( -0.793,   2.841,  -0.658)  ( 0.04,  0.02,  0.00)
164:     strbnd  ( -0.284,   0.981,   1.653)  ( -0.284,   0.981,   1.653)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.057,  -0.640,  -0.298)  ( -1.057,  -0.640,  -0.298)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.212,  -1.506,   2.709)  (  1.212,  -1.506,   2.709)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 38       (  0.339,   0.476,   1.257)  (  0.340,   0.479,   1.258)  ( 0.03,  0.15,  0.04)
164:     bond    ( -0.805,   4.071,   0.318)  ( -0.805,   4.074,   0.318)  ( 0.01,  0.08,  0.00)
164:     angle   (  5.353,   1.181,  -1.582)  (  5.354,   1.181,  -1.581)  ( 0.01,  0.00,  0.03)
164:     strbnd  (  0.930,  -1.391,  -0.658)  (  0.930,  -1.391,  -0.658)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.899,  -0.571,   2.506)  ( -1.899,  -0.571,   2.506)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.240,  -2.814,   0.673)  ( -3.240,  -2.814,   0.673)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 39       (  0.197,   1.934,  -0.224)  (  0.197,   1.941,  -0.201)  ( 0.01,  0.38,  0.52)
164:     bond    ( -0.322,   6.022,  -1.065)  ( -0.322,   6.026,  -1.065)  ( 0.00,  0.06,  0.01)
164:     angle   ( -3.546,  -0.243,  -0.303)  ( -3.546,  -0.243,  -0.303)  ( 0.02,  0.00,  0.00)
164:     strbnd  (  0.529,  -2.091,   0.417)  (  0.529,  -2.091,   0.417)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.017,   0.060,   0.336)  (  0.017,   0.060,   0.337)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.010,  -0.029,  -0.170)  (  0.009,  -0.026,  -0.147)  ( 0.00,  0.01,  0.39)
164:     vdw     (  2.635,  -1.088,   0.220)  (  2.635,  -1.088,   0.220)  ( 0.00,  0.00,  0.00)
164:     electro (  0.875,  -0.697,   0.340)  (  0.875,  -0.697,   0.340)  ( 0.00,  0.00,  0.00)
164: 40       (  0.840,  -0.019,  -0.312)  (  0.841,  -0.018,  -0.309)  ( 0.11,  0.00,  0.07)
164:     bond    ( -1.264,   0.699,  -1.919)  ( -1.263,   0.699,  -1.917)  ( 0.07,  0.02,  0.11)
164:     angle   (  0.476,   0.291,  -0.208)  (  0.477,   0.292,  -0.208)  ( 0.02,  0.02,  0.00)
164:     strbnd  (  0.323,   0.150,   1.507)  (  0.323,   0.150,   1.507)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.949,   0.716,  -0.364)  (  0.949,   0.716,  -0.364)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.355,  -1.875,   0.672)  (  0.355,  -1.875,   0.672)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 41       (  0.302,   0.253,  -0.644)  (  0.303,   0.254,  -0.641)  ( 0.04,  0.02,  0.15)
164:     bond    ( -1.052,   0.652,   1.694)  ( -1.051,   0.653,   1.696)  ( 0.08,  0.02,  0.13)
164:     angle   (  1.336,   3.153,  -0.385)  (  1.337,   3.153,  -0.384)  ( 0.03,  0.02,  0.01)
164:     strbnd  (  0.202,   0.175,  -1.360)  (  0.202,   0.175,  -1.360)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.348,  -0.299,  -0.101)  ( -0.348,  -0.299,  -0.101)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.164,  -3.428,  -0.491)  (  0.164,  -3.428,  -0.491)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 42       (  0.242,  -0.051,   0.087)  (  0.243,  -0.051,   0.090)  ( 0.02,  0.00,  0.03)
164:     bond    (  0.344,   0.091,  -1.789)  (  0.344,   0.091,  -1.786)  ( 0.00,  0.00,  0.18)
164:     angle   ( -2.274,   1.718,  -0.351)  ( -2.274,   1.718,  -0.351)  ( 0.02,  0.03,  0.00)
164:     strbnd  (  0.055,   0.966,   0.467)  (  0.055,   0.966,   0.467)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.347,   0.529,   0.094)  (  0.347,   0.529,   0.094)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.770,  -3.355,   1.666)  (  1.770,  -3.355,   1.666)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 43       (  0.647,   0.422,  -0.099)  (  0.648,   0.424,  -0.099)  ( 0.07,  0.12,  0.01)
164:     bond    ( -0.598,   1.361,   0.419)  ( -0.597,   1.363,   0.420)  ( 0.03,  0.19,  0.01)
164:     angle   (  0.254,   1.061,  -3.086)  (  0.255,   1.061,  -3.085)  ( 0.01,  0.01,  0.02)
164:     strbnd  (  0.585,   0.274,  -0.771)  (  0.585,   0.274,  -0.771)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.431,  -0.894,   2.291)  ( -0.431,  -0.894,   2.291)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.837,  -1.379,   1.046)  (  0.837,  -1.379,   1.046)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 44       ( -0.948,   0.980,   0.797)  ( -0.947,   0.982,   0.799)  ( 0.08,  0.11,  0.21)
164:     bond    ( -0.079,  -0.094,  -0.209)  ( -0.078,  -0.094,  -0.207)  ( 0.00,  0.00,  0.05)
164:     angle   ( -1.561,   3.754,  -1.115)  ( -1.561,   3.755,  -1.115)  ( 0.03,  0.01,  0.01)
164:     strbnd  ( -1.025,   0.299,   0.384)  ( -1.025,   0.299,   0.384)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.309,  -1.025,   0.349)  (  0.309,  -1.025,   0.349)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.408,  -1.954,   1.389)  (  1.408,  -1.954,   1.389)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 45       (  0.684,   0.907,   1.369)  (  0.687,   0.908,   1.370)  ( 0.16,  0.08,  0.09)
164:     bond    ( -1.901,   0.820,   1.194)  ( -1.899,   0.820,   1.195)  ( 0.11,  0.03,  0.07)
164:     angle   ( -0.217,  -0.147,  -0.244)  ( -0.216,  -0.146,  -0.243)  ( 0.00,  0.01,  0.01)
164:     strbnd  ( -0.303,  -0.559,  -1.117)  ( -0.303,  -0.559,  -1.117)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.043,   1.144,   0.873)  (  1.043,   1.144,   0.873)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.507,  -2.830,   0.968)  ( -0.507,  -2.830,   0.968)  ( 0.00,  0.00,  0.00)
162:     electro (  0.762,  -0.121,  -0.123)  (  0.762,  -0.121,  -0.123)  ( 0.00,  0.00,  0.00)
162: 11       ( -8.139, -17.024,  -0.916)  ( -8.133, -17.022,  -0.906)  ( 0.08,  0.01,  0.92)
162:     bond    ( -3.185,  -0.252,  -4.513)  ( -3.180,  -0.252,  -4.504)  ( 0.15,  0.00,  0.21)
162:     angle   ( -5.204, -13.823,   4.447)  ( -5.203, -13.821,   4.447)  ( 0.03,  0.02,  0.02)
162:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.510,  -2.828,  -0.973)  ( -0.510,  -2.827,  -0.973)  ( 0.00,  0.00,  0.00)
162:     electro (  0.759,  -0.122,   0.123)  (  0.759,  -0.122,   0.123)  ( 0.00,  0.00,  0.00)
162: 12       ( 16.579,  83.343,  -0.081)  ( 16.595,  83.346,  -0.081)  ( 0.09,  0.00,  0.00)
162:     bond    ( 21.865,   0.904,  -0.025)  ( 21.880,   0.904,  -0.025)  ( 0.07,  0.01,  0.00)
162:     angle   ( -3.076,  74.463,  -0.266)  ( -3.076,  74.465,  -0.267)  ( 0.00,  0.00,  0.01)
162:     torsion (  0.000,   0.001,   0.216)  (  0.000,   0.001,   0.216)  ( 0.00,  0.00,  0.01)
162:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
162:     electro ( -2.210,   7.976,  -0.006)  ( -2.210,   7.976,  -0.006)  ( 0.00,  0.00,  0.00)
162: ok 38 # gradients 
162: 1..38
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wea_pp6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2web_pp4.sdf
159/208 Test #162: test_ffgaff_1 ....................   Passed    1.22 sec
test 167
        Start 167: test_ffmmff94_4
167: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "ffmmff94" "4"
167: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
167: Environment variables: 
167:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
167:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
167: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wec_pp5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wel_k88.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wex_gym.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wf7_g7p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wf8_g1p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wge_tlm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wh8_ii2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2whf_ii4.sdf
167: # Testing MMFF94 Force Field...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2whi_1az.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2who_vgi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2whq_hi6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2whr_k27.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2whw_1d4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wi5_zz5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wi7_2kl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wi9_1d2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wj6_zz8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wjp_d17.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wk6_iur.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wka_p89.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wkm_pfy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wks_cb6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wls_x13.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wm3_nfl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wm4_vgj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wmd_zz0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wnz_2op.sdf
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166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.894,   2.781,   6.709)  ( -1.894,   2.781,   6.709)  ( 0.01,  0.00,  0.00)
166:     electro (-13.976,  -4.035,   5.969)  (-13.976,  -4.035,   5.969)  ( 0.00,  0.00,  0.00)
166: 35       (  0.215,  -0.454,  -0.523)  (  0.219,  -0.455,  -0.518)  ( 0.09,  0.03,  0.24)
166:     bond    (  2.204,  -0.030,  -0.236)  (  2.207,  -0.030,  -0.236)  ( 0.17,  0.00,  0.00)
166:     angle   ( -0.031,  -0.619,  -0.215)  ( -0.031,  -0.619,  -0.215)  ( 0.00,  0.04,  0.00)
166:     strbnd  ( -0.630,  -0.117,   0.028)  ( -0.630,  -0.117,   0.028)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.041,   0.142,  -0.401)  ( -0.041,   0.142,  -0.401)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.003,   0.009,  -0.025)  ( -0.002,   0.007,  -0.021)  ( 0.00,  0.00,  0.01)
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166:     electro ( -0.529,   0.151,   0.248)  ( -0.529,   0.151,   0.248)  ( 0.00,  0.00,  0.00)
166: 36       (  0.007,  -0.633,   0.684)  (  0.009,  -0.633,   0.694)  ( 0.00,  0.02,  0.66)
166:     bond    (  1.008,  -1.858,  -0.711)  (  1.009,  -1.855,  -0.710)  ( 0.08,  0.14,  0.03)
166:     angle   ( -0.810,  -0.409,  -0.083)  ( -0.810,  -0.408,  -0.083)  ( 0.04,  0.01,  0.00)
166:     strbnd  ( -0.164,   0.654,   0.244)  ( -0.164,   0.654,   0.244)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.047,  -0.195,   0.576)  (  0.047,  -0.195,   0.577)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.004,   0.018,  -0.054)  ( -0.003,   0.015,  -0.045)  ( 0.00,  0.01,  0.05)
166:     vdw     ( -0.412,   0.629,   0.244)  ( -0.412,   0.629,   0.244)  ( 0.00,  0.00,  0.00)
166:     electro (  0.342,   0.528,   0.467)  (  0.342,   0.528,   0.467)  ( 0.00,  0.00,  0.00)
166: 37       (  0.096,  -0.359,   0.906)  (  0.097,  -0.351,   0.890)  ( 0.00,  0.30,  1.47)
166:     bond    ( -1.065,  -1.705,  -0.491)  ( -1.064,  -1.702,  -0.491)  ( 0.09,  0.15,  0.01)
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166:     strbnd  (  0.823,   1.075,   0.277)  (  0.823,   1.075,   0.277)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.096,  -0.361,   1.046)  (  0.096,  -0.361,   1.046)  ( 0.00,  0.00,  0.03)
166:     oop     (  0.009,  -0.035,   0.104)  (  0.007,  -0.030,   0.087)  ( 0.00,  0.02,  0.17)
166:     vdw     ( -4.611,   3.272,  -0.769)  ( -4.611,   3.272,  -0.769)  ( 0.00,  0.00,  0.00)
166:     electro (  2.074,  -1.079,   1.460)  (  2.074,  -1.079,   1.460)  ( 0.00,  0.00,  0.00)
166: 38       (  0.416,   0.331,  -1.341)  (  0.421,   0.315,  -1.283)  ( 0.22,  0.54,  4.33)
166:     bond    ( -0.610,   1.154,   0.431)  ( -0.609,   1.156,   0.432)  ( 0.05,  0.23,  0.02)
166:     angle   (  2.171,   1.091,   0.140)  (  2.172,   1.091,   0.140)  ( 0.03,  0.01,  0.00)
166:     strbnd  (  0.292,  -0.874,  -0.249)  (  0.292,  -0.874,  -0.249)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.070,   0.364,  -1.074)  ( -0.070,   0.364,  -1.074)  ( 0.00,  0.00,  0.03)
166:     oop     ( -0.025,   0.116,  -0.346)  ( -0.021,   0.097,  -0.289)  ( 0.01,  0.22,  1.99)
166:     vdw     ( -0.968,  -2.087,  -0.646)  ( -0.967,  -2.087,  -0.646)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.374,   0.569,   0.403)  ( -0.374,   0.569,   0.403)  ( 0.00,  0.00,  0.00)
166: 39       (  0.380,   0.037,  -1.541)  (  0.383,   0.036,  -1.529)  ( 0.11,  0.00,  0.79)
166:     bond    (  1.161,   1.766,   0.453)  (  1.162,   1.769,   0.453)  ( 0.09,  0.14,  0.01)
166:     angle   (  0.496,  -0.284,  -0.165)  (  0.497,  -0.284,  -0.165)  ( 0.02,  0.00,  0.00)
166:     strbnd  ( -0.428,  -0.962,  -0.256)  ( -0.428,  -0.962,  -0.256)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.154,   0.452,  -1.372)  ( -0.154,   0.452,  -1.372)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.008,   0.023,  -0.071)  ( -0.007,   0.019,  -0.059)  ( 0.00,  0.01,  0.08)
166:     vdw     ( -0.423,  -0.628,  -0.165)  ( -0.423,  -0.628,  -0.165)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.264,  -0.330,   0.035)  ( -0.264,  -0.330,   0.035)  ( 0.00,  0.00,  0.00)
166: 40       (  0.267,   2.896,  -2.083)  (  0.251,   2.749,  -1.926)  ( 0.44,  5.06,  7.51)
166:     bond    (  1.250,  -2.067,  -1.848)  (  1.251,  -2.065,  -1.846)  ( 0.07,  0.11,  0.10)
166:     angle   ( -6.227,  -1.125,  -2.962)  ( -6.226,  -1.124,  -2.961)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -0.245,  -0.553,  -0.380)  ( -0.245,  -0.553,  -0.380)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.960,  -0.598,   1.997)  (  1.960,  -0.598,   1.997)  ( 0.00,  0.01,  0.00)
166:     oop     (  0.155,   1.094,  -1.118)  (  0.137,   0.945,  -0.964)  ( 0.28, 13.62, 13.81)
166:     vdw     ( -0.907,   0.415,  -2.870)  ( -0.907,   0.416,  -2.870)  ( 0.01,  0.00,  0.00)
166:     electro (  4.281,   5.730,   5.098)  (  4.281,   5.730,   5.098)  ( 0.00,  0.00,  0.00)
166: 41       (  0.150,  -0.326,  -1.122)  (  0.156,  -0.330,  -1.156)  ( 0.09,  0.11,  3.09)
166:     bond    (  1.745,  -1.007,   0.287)  (  1.748,  -1.006,   0.287)  ( 0.17,  0.10,  0.00)
166:     angle   (  0.464,   0.801,  -0.015)  (  0.464,   0.801,  -0.015)  ( 0.01,  0.05,  0.00)
166:     strbnd  (  0.646,   0.353,  -0.007)  (  0.646,   0.352,  -0.007)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.413,  -0.701,  -4.980)  (  0.413,  -0.701,  -4.980)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.012,   0.022,   0.147)  ( -0.009,   0.017,   0.112)  ( 0.00,  0.01,  0.51)
166:     vdw     ( -2.888,  -0.070,   2.547)  ( -2.888,  -0.069,   2.547)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.219,   0.276,   0.899)  ( -0.219,   0.276,   0.899)  ( 0.00,  0.00,  0.00)
166: 42       ( -0.022,   0.418,   1.179)  ( -0.018,   0.419,   1.187)  ( 0.01,  0.04,  0.61)
166:     bond    ( -1.375,   0.917,   0.310)  ( -1.372,   0.918,   0.310)  ( 0.19,  0.11,  0.00)
166:     angle   (  3.321,   4.944,   0.058)  (  3.321,   4.944,   0.059)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -1.480,   0.664,   0.304)  ( -1.480,   0.664,   0.304)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.662,   0.518,  -4.465)  ( -0.662,   0.518,  -4.465)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.006,   0.005,  -0.042)  ( -0.005,   0.004,  -0.035)  ( 0.00,  0.00,  0.03)
166:     vdw     ( -0.590,  -7.239,   3.112)  ( -0.590,  -7.239,   3.112)  ( 0.00,  0.00,  0.00)
166:     electro (  0.772,   0.610,   1.902)  (  0.772,   0.610,   1.902)  ( 0.00,  0.00,  0.00)
166: 43       ( -0.711,   0.449,   1.668)  ( -0.708,   0.450,   1.671)  ( 0.25,  0.04,  0.19)
166:     bond    (  1.870,   0.804,  -0.109)  (  1.873,   0.804,  -0.109)  ( 0.17,  0.05,  0.00)
166:     angle   ( -0.221,   0.524,   0.072)  ( -0.221,   0.524,   0.072)  ( 0.00,  0.03,  0.00)
166:     strbnd  ( -1.440,  -0.145,   0.136)  ( -1.440,  -0.145,   0.136)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.118,  -0.120,   1.139)  (  0.118,  -0.120,   1.139)  ( 0.00,  0.00,  0.03)
166:     oop     ( -0.002,   0.002,  -0.018)  ( -0.002,   0.002,  -0.015)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.750,  -0.350,   0.003)  ( -0.750,  -0.350,   0.003)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.286,  -0.265,   0.445)  ( -0.286,  -0.265,   0.445)  ( 0.00,  0.00,  0.00)
166: 44       ( -1.146,   0.069,   0.778)  ( -1.144,   0.072,   0.786)  ( 0.13,  0.02,  0.61)
166:     bond    (  0.202,   1.622,   0.146)  (  0.202,   1.625,   0.146)  ( 0.00,  0.23,  0.00)
166:     angle   ( -1.147,   0.132,   0.122)  ( -1.147,   0.132,   0.122)  ( 0.06,  0.00,  0.00)
166:     strbnd  ( -0.299,  -0.281,   0.005)  ( -0.299,  -0.281,   0.005)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.051,  -0.056,   0.548)  (  0.051,  -0.056,   0.549)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.004,   0.004,  -0.044)  ( -0.004,   0.004,  -0.036)  ( 0.00,  0.00,  0.03)
166:     vdw     ( -0.104,  -0.746,  -0.073)  ( -0.104,  -0.746,  -0.073)  ( 0.00,  0.00,  0.00)
166:     electro (  0.156,  -0.607,   0.072)  (  0.156,  -0.607,   0.072)  ( 0.00,  0.00,  0.00)
166: 45       ( -0.998,  -0.419,  -0.572)  ( -0.996,  -0.416,  -0.587)  ( 0.13,  0.13,  0.80)
166:     bond    ( -2.026,   1.473,   0.312)  ( -2.024,   1.474,   0.312)  ( 0.12,  0.09,  0.00)
166:     angle   ( -0.884,  -1.211,  -0.011)  ( -0.883,  -1.211,  -0.011)  ( 0.02,  0.04,  0.00)
166:     strbnd  (  0.669,   0.039,  -0.071)  (  0.669,   0.039,  -0.071)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.083,   0.075,  -0.891)  ( -0.083,   0.075,  -0.891)  ( 0.00,  0.00,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wo8_077.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wo9_023.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wo9_068.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2woa_576.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wog_zzd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wom_zze.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wos_6an.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wot_zzg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wou_zzf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wp5_wp5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wp6_wp6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wpa_889.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wpb_zzi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wpc_wp7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wpe_wpe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wpf_wpf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wqb_qq1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wqo_vgk.sdf
163: 31       (  1.990,   9.393,   5.876)  (  1.994,   9.399,   5.901)  ( 0.22,  0.06,  0.42)
163:     bond    ( -2.566,   4.555,  13.872)  ( -2.565,   4.558,  13.897)  ( 0.03,  0.06,  0.18)
163:     angle   ( -2.429,   9.198,  -3.466)  ( -2.426,   9.201,  -3.466)  ( 0.12,  0.03,  0.01)
163:     torsion (  6.879,   9.288,  -1.777)  (  6.879,   9.289,  -1.777)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.105, -13.649,  -2.753)  (  0.106, -13.648,  -2.753)  ( 0.01,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 32       ( 57.837,   1.786, -27.115)  ( 57.842,   1.793, -27.093)  ( 0.01,  0.42,  0.08)
163:     bond    (  3.506,  -7.742, -15.918)  (  3.507,  -7.737, -15.897)  ( 0.03,  0.07,  0.14)
163:     angle   (  9.605,   7.418,  -1.493)  (  9.608,   7.421,  -1.492)  ( 0.03,  0.03,  0.04)
163:     torsion ( 18.659,  -1.057,   4.631)  ( 18.659,  -1.057,   4.631)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 26.067,   3.167, -14.335)  ( 26.068,   3.167, -14.335)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 33       ( 14.364, -13.743, -37.821)  ( 14.377, -13.739, -37.804)  ( 0.10,  0.03,  0.05)
163:     bond    ( -7.727,   1.849,  -8.864)  ( -7.715,   1.850,  -8.848)  ( 0.15,  0.03,  0.17)
163:     angle   ( 33.140, -19.453, -32.965)  ( 33.142, -19.450, -32.963)  ( 0.01,  0.01,  0.01)
163:     torsion ( -4.366,   1.112,   4.039)  ( -4.366,   1.112,   4.039)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -6.683,   2.749,  -0.032)  ( -6.683,   2.750,  -0.032)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 34       ( 23.884, -10.167,  29.657)  ( 23.892, -10.160,  29.677)  ( 0.04,  0.07,  0.07)
163:     bond    ( -7.250,   6.500,  13.231)  ( -7.245,   6.504,  13.249)  ( 0.07,  0.07,  0.14)
163:     angle   ( 47.238, -12.047,  31.744)  ( 47.240, -12.044,  31.746)  ( 0.01,  0.02,  0.00)
163:     torsion (  9.341,  -1.519,   5.853)  (  9.341,  -1.519,   5.854)  ( 0.00,  0.00,  0.00)
163:     vdw     (-25.444,  -3.102, -21.171)  (-25.444,  -3.102, -21.171)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 35       ( 10.332, -31.970,   1.348)  ( 10.338, -31.963,   1.370)  ( 0.06,  0.02,  1.69)
163:     bond    (  3.124,  -3.066,  -8.742)  (  3.127,  -3.063,  -8.719)  ( 0.09,  0.09,  0.25)
163:     angle   ( 12.608, -22.166,  12.308)  ( 12.611, -22.163,  12.308)  ( 0.02,  0.01,  0.00)
163:     torsion (  0.153,  -7.870,   2.819)  (  0.153,  -7.869,   2.819)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -5.553,   1.132,  -5.038)  ( -5.553,   1.132,  -5.038)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 36       ( -6.466,  20.884,  20.761)  ( -6.462,  20.911,  20.765)  ( 0.07,  0.13,  0.02)
163:     bond    ( -3.810,  19.131,  -1.834)  ( -3.809,  19.158,  -1.834)  ( 0.03,  0.14,  0.01)
163:     angle   (  4.504,   3.776,  30.076)  (  4.507,   3.776,  30.079)  ( 0.06,  0.00,  0.01)
163:     torsion (  2.297,   0.110,  -3.623)  (  2.297,   0.110,  -3.623)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -9.457,  -2.132,  -3.858)  ( -9.456,  -2.132,  -3.858)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 37       (-12.946,  50.711,   2.547)  (-12.941,  50.715,   2.571)  ( 0.05,  0.01,  0.96)
163:     bond    ( -4.292,   1.550,  11.849)  ( -4.289,   1.550,  11.873)  ( 0.07,  0.02,  0.20)
163:     angle   (-11.613,  41.830,  -9.657)  (-11.611,  41.833,  -9.657)  ( 0.02,  0.01,  0.00)
163:     torsion ( -0.350,  14.090,  -1.966)  ( -0.350,  14.090,  -1.966)  ( 0.00,  0.00,  0.00)
163:     vdw     (  3.310,  -6.758,   2.322)  (  3.310,  -6.758,   2.322)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 38       ( 12.162,  -2.679, -25.125)  ( 12.166,  -2.652, -25.121)  ( 0.04,  0.99,  0.01)
163:     bond    (  0.872,  -4.448,  -0.345)  (  0.873,  -4.421,  -0.345)  ( 0.09,  0.60,  0.00)
163:     angle   ( 29.617,   8.776, -37.482)  ( 29.620,   8.776, -37.478)  ( 0.01,  0.00,  0.01)
163:     torsion ( -3.954,  -1.555,   9.923)  ( -3.954,  -1.555,   9.923)  ( 0.00,  0.00,  0.00)
163:     vdw     (-14.374,  -5.451,   2.779)  (-14.373,  -5.451,   2.779)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 39       (-11.317,  11.623,   1.301)  (-11.314,  11.651,   1.304)  ( 0.03,  0.24,  0.26)
163:     bond    ( -0.745,  13.908,  -2.464)  ( -0.745,  13.936,  -2.463)  ( 0.01,  0.20,  0.04)
163:     angle   (-23.223,  -1.528,  -1.621)  (-23.220,  -1.528,  -1.621)  ( 0.01,  0.00,  0.00)
163:     torsion (  0.064,   0.711,   4.004)  (  0.064,   0.712,   4.006)  ( 0.00,  0.00,  0.06)
163:     vdw     ( 12.897,  -1.590,   1.285)  ( 12.898,  -1.590,   1.285)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.311,   0.122,   0.097)  ( -0.311,   0.122,   0.097)  ( 0.00,  0.00,  0.00)
163: 40       (  9.143,   6.478,  24.537)  (  9.153,   6.483,  24.556)  ( 0.11,  0.08,  0.08)
163:     bond    ( 10.107,  -5.604,  15.334)  ( 10.114,  -5.601,  15.351)  ( 0.08,  0.04,  0.12)
163:     angle   ( -9.548,  13.884,  11.355)  ( -9.546,  13.887,  11.357)  ( 0.02,  0.02,  0.01)
163:     torsion (  6.178,   3.402,  -2.829)  (  6.179,   3.402,  -2.829)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.406,  -5.205,   0.678)  (  2.406,  -5.205,   0.678)  ( 0.01,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 41       ( -4.650,   7.844, -34.403)  ( -4.641,   7.850, -34.384)  ( 0.20,  0.07,  0.06)
163:     bond    ( 10.859,  -6.746, -17.542)  ( 10.866,  -6.743, -17.524)  ( 0.06,  0.04,  0.10)
163:     angle   ( -5.836,  27.046, -14.027)  ( -5.834,  27.049, -14.026)  ( 0.04,  0.01,  0.01)
163:     torsion ( -7.800,  -2.305,  -3.950)  ( -7.800,  -2.304,  -3.950)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -1.873, -10.151,   1.116)  ( -1.873, -10.151,   1.116)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 42       (-18.227,  16.574,  22.437)  (-18.223,  16.579,  22.464)  ( 0.02,  0.03,  0.12)
163:     bond    ( -4.536,  -1.204,  23.491)  ( -4.535,  -1.204,  23.517)  ( 0.02,  0.00,  0.11)
163:     angle   (-18.756,  29.534,  -2.104)  (-18.754,  29.538,  -2.104)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.359,  12.650,   0.578)  ( -0.359,  12.650,   0.578)  ( 0.00,  0.00,  0.00)
163:     vdw     (  5.424, -24.406,   0.473)  (  5.425, -24.406,   0.473)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 43       (  9.439, -23.152, -26.152)  (  9.445, -23.130, -26.147)  ( 0.07,  0.10,  0.02)
163:     bond    ( 10.127, -23.154,  -7.124)  ( 10.131, -23.133,  -7.122)  ( 0.04,  0.09,  0.03)
163:     angle   (  3.098,  12.480, -36.129)  (  3.100,  12.481, -36.126)  ( 0.07,  0.00,  0.01)
163:     torsion ( -4.414,  -5.361,  11.133)  ( -4.414,  -5.361,  11.133)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.628,  -7.117,   5.968)  (  0.628,  -7.117,   5.968)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 44       (-18.308,  21.708,  37.195)  (-18.302,  21.715,  37.216)  ( 0.03,  0.03,  0.06)
163:     bond    ( 12.023,  14.421,  31.723)  ( 12.026,  14.425,  31.744)  ( 0.02,  0.03,  0.06)
163:     angle   (-25.967,  22.741,  -0.499)  (-25.964,  22.743,  -0.498)  ( 0.01,  0.01,  0.04)
163:     torsion ( -6.470,  -5.757,   5.067)  ( -6.470,  -5.757,   5.067)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.106,  -9.696,   0.903)  (  2.106,  -9.695,   0.903)  ( 0.01,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 45       ( 17.466,  -4.350, -19.478)  ( 17.485,  -4.344, -19.468)  ( 0.11,  0.14,  0.05)
163:     bond    ( 15.328,  -6.631,  -9.661)  ( 15.346,  -6.628,  -9.654)  ( 0.11,  0.05,  0.07)
163:     angle   (-12.774,  -6.804, -15.635)  (-12.772,  -6.801, -15.633)  ( 0.01,  0.04,  0.02)
163:     torsion (  4.665,   8.801,   1.373)  (  4.665,   8.801,   1.373)  ( 0.00,  0.00,  0.01)
163:     vdw     ( 10.247,   0.284,   4.446)  ( 10.247,   0.284,   4.446)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wr6_odt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wrm_qq3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wsx_nm2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wtc_vgm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wtd_zzk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wti_wti.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wtj_wtj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wu1_fgs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wu4_hbp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wue_kek.sdf
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.062,  -0.352,   0.663)  (  2.062,  -0.352,   0.663)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 46       (  0.367,  -0.348,   0.007)  (  0.368,  -0.346,   0.010)  ( 0.03,  0.04,  0.00)
164:     bond    ( -0.743,   1.942,   5.648)  ( -0.743,   1.943,   5.651)  ( 0.01,  0.02,  0.05)
164:     angle   ( -0.834,   2.429,  -0.945)  ( -0.833,   2.430,  -0.945)  ( 0.05,  0.03,  0.01)
164:     strbnd  ( -0.401,  -0.284,  -2.968)  ( -0.401,  -0.284,  -2.968)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.439,  -1.217,   0.361)  ( -0.439,  -1.217,   0.361)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.784,  -3.218,  -2.089)  (  2.784,  -3.218,  -2.089)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 47       (  0.015,  -0.265,   0.203)  (  0.016,  -0.264,   0.204)  ( 0.00,  0.04,  0.03)
164:     bond    (  0.405,  -0.387,  -0.424)  (  0.406,  -0.386,  -0.423)  ( 0.05,  0.04,  0.05)
164:     angle   ( -2.172,  -2.780,   0.450)  ( -2.171,  -2.779,   0.451)  ( 0.02,  0.01,  0.02)
164:     strbnd  ( -0.734,   0.044,   1.793)  ( -0.734,   0.044,   1.793)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.276,  -0.075,  -0.196)  ( -0.276,  -0.075,  -0.196)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.791,   2.933,  -1.421)  (  2.791,   2.933,  -1.421)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 48       ( -0.723,  -0.153,  -2.370)  ( -0.721,  -0.151,  -2.369)  ( 0.12,  0.03,  0.05)
164:     bond    ( -0.977,   1.037,   0.786)  ( -0.976,   1.038,   0.787)  ( 0.12,  0.13,  0.06)
164:     angle   ( -0.242,   0.074,  -0.397)  ( -0.241,   0.074,  -0.397)  ( 0.01,  0.00,  0.01)
164:     strbnd  (  0.015,  -0.149,  -2.101)  (  0.015,  -0.149,  -2.101)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.303,   0.391,  -0.890)  ( -0.303,   0.391,  -0.890)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.783,  -1.505,   0.233)  (  0.783,  -1.505,   0.233)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 49       (  0.608,  -1.419,  -1.523)  (  0.609,  -1.418,  -1.520)  ( 0.04,  0.06,  0.21)
164:     bond    ( -0.234,   0.800,  -3.501)  ( -0.234,   0.800,  -3.498)  ( 0.00,  0.01,  0.09)
164:     angle   ( -0.364,  -2.283,  -0.498)  ( -0.363,  -2.283,  -0.498)  ( 0.02,  0.02,  0.00)
164:     strbnd  ( -1.308,   0.802,   1.925)  ( -1.308,   0.802,   1.925)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.209,  -1.267,  -0.371)  (  1.209,  -1.267,  -0.371)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.305,   0.529,   0.922)  (  1.305,   0.529,   0.922)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 50       ( -1.926,  -0.688,  -1.325)  ( -1.925,  -0.687,  -1.323)  ( 0.05,  0.11,  0.15)
164:     bond    (  1.132,  -1.684,  -2.127)  (  1.132,  -1.683,  -2.125)  ( 0.04,  0.07,  0.08)
164:     angle   ( -0.386,   0.713,  -0.771)  ( -0.386,   0.714,  -0.771)  ( 0.02,  0.03,  0.02)
164:     strbnd  ( -0.234,  -0.477,   1.916)  ( -0.234,  -0.478,   1.916)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.839,   0.814,  -1.092)  ( -0.839,   0.814,  -1.092)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.600,  -0.054,   0.749)  ( -1.600,  -0.054,   0.749)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 51       (  0.141,  -0.997,  -1.237)  (  0.142,  -0.996,  -1.234)  ( 0.01,  0.10,  0.23)
164:     bond    ( -0.459,   0.602,  -1.366)  ( -0.459,   0.603,  -1.364)  ( 0.01,  0.03,  0.19)
164:     angle   ( -4.840,  -2.593,   0.483)  ( -4.839,  -2.592,   0.483)  ( 0.01,  0.02,  0.01)
164:     strbnd  ( -0.066,  -0.914,  -1.669)  ( -0.066,  -0.914,  -1.669)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.609,  -0.569,  -0.456)  (  0.609,  -0.569,  -0.456)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.897,   2.477,   1.772)  (  4.897,   2.477,   1.772)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 52       ( -2.339,   0.741,   1.932)  ( -2.338,   0.742,   1.935)  ( 0.04,  0.05,  0.15)
164:     bond    ( -0.579,   0.431,  -1.609)  ( -0.579,   0.431,  -1.606)  ( 0.02,  0.01,  0.17)
164:     angle   ( -0.609,   2.084,   0.779)  ( -0.609,   2.085,   0.779)  ( 0.03,  0.02,  0.01)
164:     strbnd  (  0.098,   0.859,   1.399)  (  0.098,   0.859,   1.399)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.384,  -0.338,   0.048)  ( -0.384,  -0.338,   0.048)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.864,  -2.295,   1.315)  ( -0.864,  -2.295,   1.315)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 53       (  0.056,  -1.491,   2.539)  (  0.057,  -1.489,   2.541)  ( 0.01,  0.13,  0.06)
164:     bond    ( -1.594,   2.825,   2.595)  ( -1.593,   2.827,   2.597)  ( 0.03,  0.05,  0.05)
164:     angle   ( -1.514,  -2.295,   1.569)  ( -1.514,  -2.295,   1.569)  ( 0.03,  0.01,  0.02)
164:     strbnd  (  0.494,  -0.602,  -2.308)  (  0.494,  -0.602,  -2.308)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.240,  -0.042,   0.806)  (  1.240,  -0.042,   0.806)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.431,  -1.377,  -0.123)  (  1.431,  -1.377,  -0.123)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 54       ( -1.751,  -1.353,   0.152)  ( -1.750,  -1.352,   0.155)  ( 0.04,  0.06,  0.05)
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wzd_3pg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2wzi_5fn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x05_x05.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x09_x09.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x0h_14t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x0u_x0u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x0v_x0v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x0w_x0w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x0y_x0t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x15_x15.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x1e_x1e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x1h_x1h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x2k_x2k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x2l_x2l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x2m_x2m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x2r_x2o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x2w_x2w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x38_ic8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x39_x39.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x3t_gyv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x4f_16x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x4z_x4z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x5o_vsv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x68_cte.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x6d_x6d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x6e_ym4.sdf
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 57       (  0.041,   0.148,  -0.296)  (  0.041,   0.150,  -0.294)  ( 0.00,  0.03,  0.06)
166:     bond    ( -0.135,   2.007,   2.146)  ( -0.135,   2.009,   2.147)  ( 0.00,  0.08,  0.08)
166:     angle   (  0.451,  -0.692,   0.675)  (  0.452,  -0.692,   0.675)  ( 0.03,  0.02,  0.02)
166:     strbnd  ( -0.177,  -0.030,  -0.939)  ( -0.177,  -0.030,  -0.939)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.075,  -0.300,   0.213)  ( -1.075,  -0.300,   0.213)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.976,  -0.838,  -2.392)  (  0.976,  -0.838,  -2.392)  ( 0.02,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 58       ( -0.254,   0.017,  -0.064)  ( -0.254,   0.019,  -0.062)  ( 0.02,  0.00,  0.02)
166:     bond    ( -0.040,  -1.500,   1.928)  ( -0.040,  -1.499,   1.930)  ( 0.00,  0.08,  0.11)
166:     angle   ( -1.136,   1.312,   0.995)  ( -1.135,   1.312,   0.995)  ( 0.05,  0.03,  0.02)
166:     strbnd  (  0.280,  -0.457,  -0.574)  (  0.280,  -0.457,  -0.574)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.158,   0.214,   0.170)  (  0.158,   0.214,   0.170)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.484,   0.449,  -2.583)  (  0.484,   0.449,  -2.583)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 59       ( -0.039,   0.371,   0.524)  ( -0.039,   0.373,   0.526)  ( 0.00,  0.07,  0.11)
166:     bond    (  0.250,   2.246,  -2.453)  (  0.250,   2.247,  -2.451)  ( 0.00,  0.07,  0.07)
166:     angle   ( -0.227,   0.092,   0.062)  ( -0.226,   0.092,   0.062)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( -0.193,  -0.135,   1.231)  ( -0.193,  -0.135,   1.231)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.564,   2.085,   1.969)  (  0.564,   2.085,   1.969)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.433,  -3.917,  -0.285)  ( -0.433,  -3.917,  -0.285)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 60       ( -0.063,  -0.072,   0.504)  ( -0.062,  -0.071,   0.506)  ( 0.01,  0.01,  0.13)
166:     bond    (  0.260,   1.745,   3.031)  (  0.260,   1.746,   3.033)  ( 0.00,  0.05,  0.08)
166:     angle   (  3.751,  -1.603,   0.601)  (  3.752,  -1.603,   0.601)  ( 0.02,  0.02,  0.01)
166:     strbnd  ( -0.199,  -0.015,  -1.540)  ( -0.199,  -0.015,  -1.540)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.382,   1.853,  -0.948)  ( -1.382,   1.853,  -0.948)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.493,  -2.052,  -0.640)  ( -2.493,  -2.052,  -0.640)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 61       ( -0.281,   0.189,  -0.034)  ( -0.280,   0.192,  -0.033)  ( 0.02,  0.06,  0.00)
166:     bond    (  0.133,  -2.004,   0.580)  (  0.133,  -2.001,   0.581)  ( 0.00,  0.15,  0.02)
166:     angle   (  0.076,  -0.444,  -1.547)  (  0.077,  -0.444,  -1.546)  ( 0.00,  0.00,  0.04)
166:     strbnd  ( -0.121,  -0.013,   0.295)  ( -0.121,  -0.013,   0.295)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.940,   0.033,  -0.103)  (  0.940,   0.033,  -0.103)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.309,   2.616,   0.740)  ( -1.309,   2.616,   0.740)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 62       ( -0.037,   0.359,   0.037)  ( -0.037,   0.362,   0.038)  ( 0.00,  0.10,  0.00)
166:     bond    ( -0.580,   1.889,  -0.905)  ( -0.580,   1.891,  -0.905)  ( 0.01,  0.13,  0.05)
166:     angle   ( -0.273,   0.763,   1.769)  ( -0.273,   0.763,   1.769)  ( 0.01,  0.01,  0.02)
166:     strbnd  ( -0.325,   0.488,   0.279)  ( -0.325,   0.488,   0.279)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.294,   0.792,   0.827)  (  1.294,   0.792,   0.827)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.153,  -3.573,  -1.933)  ( -0.153,  -3.573,  -1.933)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 63       ( -0.297,   0.195,   0.097)  ( -0.296,   0.196,   0.100)  ( 0.03,  0.01,  0.03)
166:     bond    (  0.610,   0.315,   1.633)  (  0.610,   0.315,   1.636)  ( 0.02,  0.00,  0.18)
166:     angle   ( -1.418,   1.386,   0.261)  ( -1.418,   1.387,   0.261)  ( 0.03,  0.03,  0.00)
166:     strbnd  ( -0.282,   0.382,   0.365)  ( -0.282,   0.382,   0.365)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.426,   0.990,  -0.350)  (  0.426,   0.990,  -0.350)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.367,  -2.878,  -1.812)  (  0.367,  -2.878,  -1.812)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 64       (  5.704,  -0.249,   0.138)  (  5.704,  -0.244,   0.139)  ( 0.00,  0.13,  0.01)
166:     bond    (  0.052,   0.524,  -0.141)  (  0.052,   0.529,  -0.141)  ( 0.00,  0.27,  0.01)
166:     angle   (  0.150,  -0.836,  -3.088)  (  0.150,  -0.836,  -3.088)  ( 0.00,  0.00,  0.02)
166:     strbnd  ( -0.049,  -0.575,   0.050)  ( -0.049,  -0.575,   0.050)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.430,  -0.034,   0.030)  (  0.430,  -0.034,   0.030)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.052,   1.173,   1.899)  (  0.052,   1.173,   1.900)  ( 0.00,  0.00,  0.00)
166:     electro (  5.069,  -0.500,   1.387)  (  5.069,  -0.500,   1.387)  ( 0.00,  0.00,  0.00)
166: 65       ( -0.114,   0.570,  -0.149)  ( -0.109,   0.571,  -0.148)  ( 0.06,  0.02,  0.01)
166:     bond    (-17.085,  -2.760,   0.383)  (-17.080,  -2.760,   0.384)  ( 0.03,  0.01,  0.00)
166:     angle   (  0.082,  -0.169,   2.424)  (  0.082,  -0.169,   2.425)  ( 0.00,  0.00,  0.02)
166:     strbnd  (  0.390,   0.135,  -0.958)  (  0.390,   0.135,  -0.958)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.084,   0.524,   0.039)  ( -0.084,   0.524,   0.039)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.216,   1.133,   7.265)  ( -1.216,   1.133,   7.265)  ( 0.00,  0.00,  0.00)
166:     electro ( 17.799,   1.709,  -9.304)  ( 17.799,   1.709,  -9.304)  ( 0.00,  0.00,  0.00)
166: ok 14 # gradients 
166: ok 15 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x6o_2tc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x7c_kz9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x7d_egb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x7e_x7e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x7f_824.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x7g_pvb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x7h_pfn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x7s_wzc.sdf
166:  1       ( -1.689,  29.086,  12.210)  ( -1.711,  29.002,  12.363)  ( 1.27,  0.29,  1.25)
166:     bond    (-17.707,   8.335,   2.191)  (-17.700,   8.340,   2.193)  ( 0.04,  0.06,  0.09)
166:     angle   ( 17.323,  25.618,  18.944)  ( 17.325,  25.620,  18.945)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -1.493,  -7.945,  -5.133)  ( -1.494,  -7.946,  -5.134)  ( 0.06,  0.01,  0.00)
166:     torsion (  0.601,   2.014,  -3.362)  (  0.601,   2.014,  -3.362)  ( 0.00,  0.01,  0.02)
166:     oop     (  0.117,   0.376,  -0.635)  (  0.088,   0.286,  -0.485)  ( 0.35,  3.38,  9.52)
166:     vdw     ( -0.601,  -0.190,  -0.199)  ( -0.601,  -0.190,  -0.199)  ( 0.00,  0.00,  0.00)
166:     electro (  0.071,   0.878,   0.403)  (  0.071,   0.878,   0.403)  ( 0.00,  0.00,  0.00)
166:  2       (-43.130,  -3.367,  -5.439)  (-43.097,  -3.287,  -5.559)  ( 0.08,  2.36,  2.20)
166:     bond    (-26.717,  -2.707,  -7.585)  (-26.711,  -2.702,  -7.583)  ( 0.02,  0.19,  0.02)
166:     angle   (-14.462,  -4.144,  -5.035)  (-14.460,  -4.143,  -5.035)  ( 0.01,  0.04,  0.01)
166:     strbnd  (  0.308,   7.811,   4.693)  (  0.308,   7.811,   4.693)  ( 0.01,  0.01,  0.01)
166:     torsion ( -0.735,  -2.026,   3.413)  ( -0.735,  -2.026,   3.414)  ( 0.00,  0.02,  0.03)
166:     oop     ( -0.154,  -0.448,   0.744)  ( -0.128,  -0.375,   0.621)  ( 0.40,  3.28,  9.11)
166:     vdw     ( -1.663,  -1.307,  -1.215)  ( -1.663,  -1.307,  -1.215)  ( 0.00,  0.00,  0.00)
166:     electro (  0.292,  -0.546,  -0.454)  (  0.292,  -0.546,  -0.454)  ( 0.00,  0.00,  0.00)
166:  3       ( 26.796,  24.803,  13.755)  ( 26.767,  24.702,  13.933)  ( 0.11,  0.40,  1.30)
166:     bond    ( 32.244,   7.181,  11.384)  ( 32.249,   7.186,  11.386)  ( 0.02,  0.06,  0.02)
166:     angle   ( -9.397,   6.895,   4.311)  ( -9.395,   6.897,   4.311)  ( 0.02,  0.02,  0.02)
166:     strbnd  (  5.047,   6.760,   5.135)  (  5.046,   6.759,   5.135)  ( 0.01,  0.01,  0.00)
166:     torsion (  1.173,   3.527,  -5.707)  (  1.173,   3.527,  -5.706)  ( 0.00,  0.01,  0.01)
166:     oop     (  0.194,   0.561,  -0.910)  (  0.158,   0.454,  -0.735)  ( 0.69,  5.96, 15.93)
166:     vdw     ( -2.822,   0.795,   0.719)  ( -2.822,   0.795,   0.719)  ( 0.00,  0.00,  0.00)
166:     electro (  0.358,  -0.916,  -1.176)  (  0.358,  -0.916,  -1.176)  ( 0.00,  0.00,  0.00)
166:  4       ( 30.208,   3.073,   6.213)  ( 30.219,   3.104,   6.463)  ( 0.04,  1.02,  4.03)
166:     bond    ( 44.923,   3.054,  10.850)  ( 44.929,   3.058,  10.852)  ( 0.01,  0.15,  0.02)
166:     angle   (-11.137,   3.853,   1.631)  (-11.135,   3.855,   1.632)  ( 0.02,  0.05,  0.04)
166:     strbnd  ( -0.803,  -4.122,  -2.305)  ( -0.804,  -4.123,  -2.306)  ( 0.08,  0.01,  0.01)
166:     torsion ( -0.049,  -0.229,  -1.535)  ( -0.049,  -0.229,  -1.535)  ( 0.00,  0.01,  0.05)
166:     oop     ( -0.023,  -0.118,  -0.821)  ( -0.020,  -0.093,  -0.574)  ( 0.01,  0.29, 20.32)
166:     vdw     ( -2.511,   0.309,  -1.489)  ( -2.511,   0.309,  -1.489)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.191,   0.327,  -0.117)  ( -0.191,   0.327,  -0.117)  ( 0.00,  0.00,  0.00)
166:  5       ( -7.948, -76.115, -41.479)  ( -7.959, -76.157, -41.393)  ( 0.13,  0.05,  0.21)
166:     bond    (  8.045, -42.089, -24.804)  (  8.052, -42.083, -24.802)  ( 0.09,  0.01,  0.01)
166:     angle   (-16.828, -30.092, -21.409)  (-16.826, -30.090, -21.409)  ( 0.01,  0.01,  0.00)
166:     strbnd  (  5.512,  -1.560,   0.571)  (  5.511,  -1.560,   0.570)  ( 0.02,  0.01,  0.01)
166:     torsion ( -1.167,  -3.866,   6.122)  ( -1.167,  -3.866,   6.123)  ( 0.00,  0.01,  0.01)
166:     oop     (  0.067,   0.201,  -0.328)  (  0.049,   0.152,  -0.246)  ( 0.12,  0.98,  2.70)
166:     vdw     ( -3.591,   1.489,  -1.515)  ( -3.591,   1.489,  -1.515)  ( 0.00,  0.00,  0.00)
166:     electro (  0.014,  -0.198,  -0.115)  (  0.014,  -0.198,  -0.115)  ( 0.00,  0.00,  0.00)
166:  6       (-30.115,  -5.188,  10.096)  (-30.111,  -5.194,   9.573)  ( 0.01,  0.12,  5.18)
166:     bond    (-46.066,  -5.896,   0.687)  (-46.059,  -5.889,   0.688)  ( 0.01,  0.11,  0.01)
166:     angle   ( 11.582,  -5.904,   1.352)  ( 11.584,  -5.902,   1.352)  ( 0.02,  0.04,  0.01)
166:     strbnd  (  1.321,   5.298,   0.111)  (  1.319,   5.297,   0.111)  ( 0.08,  0.01,  0.00)
166:     torsion (  0.044,   1.140,   6.540)  (  0.044,   1.140,   6.541)  ( 0.00,  0.01,  0.02)
166:     oop     ( -0.012,   0.131,   2.561)  ( -0.015,   0.116,   2.037)  ( 0.00,  0.19, 20.47)
166:     vdw     (  2.802,   0.309,  -0.945)  (  2.802,   0.309,  -0.945)  ( 0.00,  0.00,  0.00)
166:     electro (  0.213,  -0.266,  -0.210)  (  0.213,  -0.266,  -0.210)  ( 0.00,  0.00,  0.00)
166:  7       ( 12.679,  86.994, -19.032)  ( 12.700,  86.952, -19.301)  ( 0.17,  0.05,  1.42)
166:     bond    ( -5.030,  48.598,  -6.009)  ( -5.023,  48.605,  -6.009)  ( 0.14,  0.01,  0.00)
166:     angle   ( 20.610,  38.351,  -5.278)  ( 20.612,  38.353,  -5.277)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -7.020,   1.621,  -1.168)  ( -7.021,   1.621,  -1.168)  ( 0.02,  0.02,  0.01)
166:     torsion (  0.098,  -1.110,  -6.501)  (  0.098,  -1.110,  -6.500)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.002,   0.211,   1.179)  (  0.015,   0.160,   0.909)  ( 0.00,  1.08, 22.95)
166:     vdw     (  4.021,  -0.905,  -1.238)  (  4.021,  -0.905,  -1.238)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.002,   0.227,  -0.017)  ( -0.002,   0.227,  -0.017)  ( 0.00,  0.00,  0.00)
166:  8       ( -0.374, -32.479,   6.496)  ( -0.364, -32.472,   6.450)  ( 0.39,  0.02,  0.71)
166:     bond    ( 17.320,  -9.193,   0.193)  ( 17.327,  -9.187,   0.193)  ( 0.04,  0.07,  0.00)
166:     angle   (-21.343, -31.556,   3.930)  (-21.342, -31.553,   3.930)  ( 0.01,  0.01,  0.00)
166:     strbnd  (  3.117,   8.773,  -0.540)  (  3.116,   8.771,  -0.540)  ( 0.03,  0.01,  0.00)
166:     torsion (  0.062,   0.254,   3.026)  (  0.062,   0.254,   3.027)  ( 0.00,  0.00,  0.04)
166:     oop     ( -0.019,  -0.027,  -0.085)  ( -0.016,  -0.028,  -0.132)  ( 0.00,  0.00,  0.40)
166:     vdw     (  0.599,   0.238,  -0.003)  (  0.599,   0.238,  -0.003)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.111,  -0.968,  -0.025)  ( -0.111,  -0.968,  -0.025)  ( 0.00,  0.00,  0.00)
166:  9       ( 44.803,   3.914,   2.819)  ( 44.806,   3.913,   2.731)  ( 0.01,  0.03,  3.12)
166:     bond    ( 27.504,   4.642,  -1.536)  ( 27.511,   4.648,  -1.536)  ( 0.02,  0.14,  0.00)
166:     angle   ( 15.991,   5.308,  -0.805)  ( 15.993,   5.309,  -0.804)  ( 0.01,  0.04,  0.01)
166:     strbnd  ( -0.547,  -8.870,   0.817)  ( -0.547,  -8.870,   0.817)  ( 0.03,  0.01,  0.00)
166:     torsion (  0.167,   0.437,   4.249)  (  0.167,   0.437,   4.250)  ( 0.00,  0.00,  0.03)
166:     oop     (  0.027,   0.073,   0.647)  (  0.022,   0.064,   0.558)  ( 0.01,  0.07,  5.77)
166:     vdw     (  1.899,   1.622,  -0.325)  (  1.899,   1.622,  -0.325)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.238,   0.703,  -0.227)  ( -0.238,   0.703,  -0.227)  ( 0.00,  0.00,  0.00)
166: 10       (-30.928, -25.769,  -2.929)  (-30.914, -25.703,  -2.397)  ( 0.04,  0.25, 18.16)
166:     bond    (-33.338, -10.219,   2.044)  (-33.333, -10.213,   2.044)  ( 0.02,  0.06,  0.00)
166:     angle   (  5.728,  -6.663,   4.844)  (  5.730,  -6.662,   4.844)  ( 0.04,  0.03,  0.01)
166:     strbnd  ( -5.454,  -7.832,   0.921)  ( -5.455,  -7.833,   0.921)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.215,  -0.970,  -8.075)  ( -0.215,  -0.970,  -8.074)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.036,  -0.302,  -2.716)  ( -0.029,  -0.244,  -2.185)  ( 0.02,  1.75, 19.54)
166:     vdw     (  2.593,  -1.118,   0.786)  (  2.593,  -1.118,   0.786)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.206,   1.335,  -0.734)  ( -0.206,   1.335,  -0.734)  ( 0.00,  0.00,  0.00)
166: 11       (-26.673, -22.301,   4.179)  (-26.670, -22.313,   4.011)  ( 0.01,  0.05,  4.01)
166:     bond    ( -1.917,  -0.727,  -0.074)  ( -1.913,  -0.722,  -0.070)  ( 0.20,  0.32,  0.03)
166:     angle   (-29.136, -26.052,   2.735)  (-29.134, -26.050,   2.736)  ( 0.01,  0.01,  0.05)
166:     strbnd  (  4.010,   7.688,  -1.200)  (  4.009,   7.687,  -1.200)  ( 0.01,  0.02,  0.04)
166:     torsion (  0.015,   0.059,   0.642)  (  0.015,   0.059,   0.642)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.009,   0.064,   0.656)  (  0.007,   0.046,   0.483)  ( 0.00,  0.11, 11.35)
166:     vdw     (  0.354,  -2.969,   0.608)  (  0.354,  -2.969,   0.608)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.008,  -0.365,   0.812)  ( -0.008,  -0.365,   0.812)  ( 0.00,  0.00,  0.00)
166: 12       ( -2.353,   3.616,  -2.204)  ( -2.349,   3.623,  -2.134)  ( 0.16,  0.19,  3.21)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x7t_wzb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x7u_wza.sdf
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 57       ( -0.222,  -0.711,   1.702)  ( -0.221,  -0.708,   1.703)  ( 0.02,  0.16,  0.07)
164:     bond    ( -1.423,  -3.015,   1.849)  ( -1.423,  -3.013,   1.849)  ( 0.03,  0.07,  0.04)
164:     angle   (  1.191,  -0.586,  -0.038)  (  1.192,  -0.586,  -0.038)  ( 0.04,  0.01,  0.00)
164:     strbnd  (  0.927,   0.636,  -0.840)  (  0.927,   0.636,  -0.840)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.670,   0.208,   0.854)  (  0.670,   0.208,   0.854)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.587,   2.046,  -0.123)  ( -1.587,   2.046,  -0.123)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 58       ( -1.065,  -1.279,  -1.213)  ( -1.063,  -1.277,  -1.212)  ( 0.14,  0.19,  0.05)
164:     bond    ( -0.341,   0.461,   0.108)  ( -0.340,   0.463,   0.108)  ( 0.04,  0.10,  0.00)
164:     angle   ( -2.386,  -1.529,  -0.965)  ( -2.386,  -1.529,  -0.964)  ( 0.01,  0.01,  0.04)
164:     strbnd  ( -0.455,  -0.647,  -0.480)  ( -0.455,  -0.647,  -0.480)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.014,   0.020,  -0.041)  (  0.014,   0.020,  -0.041)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.104,   0.416,   0.164)  (  2.104,   0.416,   0.164)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 59       ( -1.070,  -1.140,  -0.343)  ( -1.069,  -1.138,  -0.342)  ( 0.10,  0.20,  0.03)
164:     bond    ( -1.369,  -2.487,   1.248)  ( -1.368,  -2.484,   1.248)  ( 0.05,  0.09,  0.04)
164:     angle   ( -1.624,   0.072,  -1.636)  ( -1.623,   0.072,  -1.636)  ( 0.03,  0.00,  0.03)
164:     strbnd  ( -0.372,   0.804,  -0.765)  ( -0.372,   0.804,  -0.765)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.290,   0.448,   0.574)  ( -0.290,   0.448,   0.574)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.584,   0.022,   0.237)  (  2.584,   0.022,   0.237)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 60       ( -0.358,  -1.910,  -0.423)  ( -0.357,  -1.909,  -0.420)  ( 0.02,  0.03,  0.14)
164:     bond    (  0.061,  -0.358,  -2.470)  (  0.061,  -0.358,  -2.467)  ( 0.00,  0.00,  0.13)
164:     angle   ( -2.334,  -1.222,   0.119)  ( -2.334,  -1.222,   0.119)  ( 0.02,  0.04,  0.00)
164:     strbnd  ( -0.879,   0.068,   0.565)  ( -0.879,   0.068,   0.565)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.016,  -0.218,   0.032)  (  0.016,  -0.218,   0.032)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.778,  -0.179,   1.331)  (  2.778,  -0.179,   1.331)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 61       ( -1.170,  -0.189,   0.037)  ( -1.168,  -0.188,   0.038)  ( 0.25,  0.01,  0.00)
164:     bond    ( -0.428,  -0.103,  -0.175)  ( -0.426,  -0.103,  -0.175)  ( 0.12,  0.00,  0.01)
164:     angle   ( -0.331,  -3.245,   2.709)  ( -0.331,  -3.244,   2.710)  ( 0.00,  0.01,  0.02)
164:     strbnd  ( -0.890,  -0.655,   0.505)  ( -0.890,  -0.655,   0.505)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.146,   0.349,   0.151)  ( -0.146,   0.349,   0.152)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.626,   3.464,  -3.153)  (  0.626,   3.464,  -3.153)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 62       ( -1.757,   0.318,   0.260)  ( -1.756,   0.322,   0.261)  ( 0.03,  0.11,  0.02)
164:     bond    (  0.021,   0.242,  -0.008)  (  0.021,   0.246,  -0.008)  ( 0.00,  0.08,  0.00)
164:     angle   (  2.576,  -0.098,   3.676)  (  2.576,  -0.098,   3.677)  ( 0.02,  0.00,  0.01)
164:     strbnd  (  0.261,   0.641,   0.904)  (  0.261,   0.642,   0.904)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.156,  -0.106,  -0.183)  (  1.156,  -0.106,  -0.183)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.770,  -0.362,  -4.129)  ( -5.770,  -0.362,  -4.129)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 63       ( -1.163,   0.855,  -0.571)  ( -1.161,   0.856,  -0.570)  ( 0.16,  0.08,  0.09)
164:     bond    ( -1.786,   1.024,   1.583)  ( -1.785,   1.024,   1.584)  ( 0.09,  0.05,  0.08)
164:     angle   (  0.428,  -0.094,   0.542)  (  0.428,  -0.094,   0.543)  ( 0.01,  0.00,  0.02)
164:     strbnd  (  0.673,  -0.673,   0.446)  (  0.673,  -0.673,   0.446)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.227,  -0.276,  -0.077)  ( -0.227,  -0.276,  -0.077)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.250,   0.874,  -3.065)  ( -0.250,   0.874,  -3.065)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 64       (  0.790,  -0.989,   0.790)  (  0.793,  -0.989,   0.791)  ( 0.25,  0.06,  0.06)
164:     bond    (  0.666,   0.107,  -0.162)  (  0.670,   0.108,  -0.162)  ( 0.21,  0.00,  0.00)
164:     angle   ( -0.821,  -2.989,  -5.388)  ( -0.821,  -2.989,  -5.387)  ( 0.00,  0.02,  0.01)
164:     strbnd  ( -1.303,  -0.763,  -0.758)  ( -1.303,  -0.763,  -0.758)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.159,  -0.563,   0.283)  (  0.159,  -0.563,   0.283)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.089,   3.218,   6.815)  (  2.089,   3.218,   6.815)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 65       (  1.612,   1.583,  -0.244)  (  1.613,   1.584,  -0.242)  ( 0.09,  0.07,  0.05)
164:     bond    ( -0.305,   0.226,  -0.426)  ( -0.304,   0.227,  -0.424)  ( 0.03,  0.01,  0.08)
164:     angle   (  3.626,  -2.262,  -3.808)  (  3.626,  -2.262,  -3.808)  ( 0.01,  0.02,  0.01)
164:     strbnd  (  0.994,  -1.017,  -0.192)  (  0.994,  -1.017,  -0.192)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.256,   0.264,  -0.043)  (  0.256,   0.264,  -0.043)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.959,   4.372,   4.225)  ( -2.958,   4.372,   4.225)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 66       ( -1.078,   0.552,  -0.760)  ( -1.078,   0.556,  -0.759)  ( 0.06,  0.19,  0.05)
164:     bond    (  0.016,   0.113,   0.003)  (  0.016,   0.116,   0.003)  ( 0.00,  0.04,  0.00)
164:     angle   (  2.563,  -0.264,  -3.412)  (  2.563,  -0.264,  -3.411)  ( 0.02,  0.00,  0.02)
164:     strbnd  (  0.510,   0.950,  -1.109)  (  0.510,   0.950,  -1.109)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.450,   0.067,  -0.151)  ( -0.450,   0.067,  -0.151)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.718,  -0.314,   3.909)  ( -3.717,  -0.314,   3.909)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 67       (  0.335,   0.250,   0.082)  (  0.336,   0.253,   0.082)  ( 0.02,  0.08,  0.00)
164:     bond    (  0.214,  -2.095,   0.090)  (  0.214,  -2.092,   0.090)  ( 0.00,  0.16,  0.00)
164:     angle   (  1.574,   0.246,   1.978)  (  1.575,   0.246,   1.979)  ( 0.04,  0.00,  0.03)
164:     strbnd  ( -0.777,   1.004,   0.844)  ( -0.777,   1.004,   0.844)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.181,  -0.026,  -1.050)  (  0.181,  -0.026,  -1.050)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.857,   1.121,  -1.781)  ( -0.857,   1.121,  -1.781)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x90_eal.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x92_x92.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x93_x93.sdf
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 46       (  5.443, -10.453,  10.349)  (  5.446, -10.446,  10.374)  ( 0.06,  0.07,  0.24)
163:     bond    ( -1.383,   3.610,  10.485)  ( -1.382,   3.613,  10.510)  ( 0.03,  0.08,  0.23)
163:     angle   ( -3.762,   9.525,  -3.770)  ( -3.759,   9.528,  -3.769)  ( 0.07,  0.03,  0.01)
163:     torsion (  2.060, -14.244,   5.167)  (  2.060, -14.244,   5.167)  ( 0.00,  0.00,  0.00)
163:     vdw     (  8.527,  -9.343,  -1.534)  (  8.528,  -9.342,  -1.534)  ( 0.01,  0.01,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 47       ( 14.909,  24.069,  -0.998)  ( 14.921,  24.080,  -0.985)  ( 0.08,  0.04,  1.22)
163:     bond    (-19.186,  18.209,  19.946)  (-19.177,  18.217,  19.955)  ( 0.05,  0.05,  0.05)
163:     angle   (-10.140, -12.273,   1.458)  (-10.138, -12.271,   1.460)  ( 0.02,  0.02,  0.11)
163:     torsion (  1.713,  -3.616,   4.947)  (  1.713,  -3.616,   4.947)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 42.522,  21.749, -27.348)  ( 42.523,  21.749, -27.347)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 48       (  0.271,  -6.369, -45.452)  (  0.284,  -6.356, -45.443)  ( 0.33,  0.21,  0.02)
163:     bond    ( 15.320, -16.319, -12.372)  ( 15.330, -16.308, -12.365)  ( 0.06,  0.07,  0.05)
163:     angle   ( -6.821,  10.229, -21.950)  ( -6.819,  10.231, -21.947)  ( 0.03,  0.02,  0.01)
163:     torsion ( -4.990,   5.362, -13.259)  ( -4.990,   5.362, -13.259)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -3.237,  -5.641,   2.128)  ( -3.237,  -5.641,   2.128)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 49       (  1.829,   5.218,  10.089)  (  1.832,   5.223,  10.115)  ( 0.19,  0.10,  0.26)
163:     bond    (  0.604,  -2.066,   9.001)  (  0.604,  -2.065,   9.027)  ( 0.00,  0.06,  0.29)
163:     angle   (-16.609,   6.716,   2.648)  (-16.606,   6.719,   2.648)  ( 0.02,  0.05,  0.01)
163:     torsion (  8.906,  -7.026,  -2.203)  (  8.906,  -7.026,  -2.203)  ( 0.00,  0.00,  0.00)
163:     vdw     (  8.928,   7.594,   0.643)  (  8.928,   7.595,   0.643)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 50       (-11.640,   3.698,  15.971)  (-11.634,   3.710,  15.987)  ( 0.06,  0.32,  0.10)
163:     bond    ( -5.694,   8.448,  10.662)  ( -5.690,   8.457,  10.677)  ( 0.07,  0.11,  0.14)
163:     angle   (  7.408,  -8.795,  10.912)  (  7.411,  -8.792,  10.914)  ( 0.03,  0.02,  0.02)
163:     torsion ( -7.136,   5.355,  -8.045)  ( -7.136,   5.355,  -8.045)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -6.219,  -1.310,   2.441)  ( -6.218,  -1.310,   2.441)  ( 0.00,  0.03,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 51       ( 66.926,   4.468, -23.568)  ( 66.934,   4.475, -23.545)  ( 0.01,  0.16,  0.10)
163:     bond    (-15.111,  19.836, -44.913)  (-15.108,  19.840, -44.892)  ( 0.01,  0.02,  0.05)
163:     angle   (-11.684, -27.275,  -8.122)  (-11.681, -27.272,  -8.122)  ( 0.02,  0.01,  0.01)
163:     torsion (  8.855,  -9.794,  -7.309)  (  8.855,  -9.794,  -7.309)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 84.866,  21.701,  36.777)  ( 84.869,  21.701,  36.777)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 52       (-18.901,  20.130,  41.937)  (-18.895,  20.135,  41.961)  ( 0.03,  0.02,  0.06)
163:     bond    (  8.042,  -5.998,  22.303)  (  8.045,  -5.996,  22.326)  ( 0.04,  0.03,  0.10)
163:     angle   (-15.750,  30.338,  13.823)  (-15.747,  30.341,  13.824)  ( 0.02,  0.01,  0.00)
163:     torsion ( -8.777,   2.120,   3.732)  ( -8.777,   2.120,   3.732)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -2.416,  -6.330,   2.079)  ( -2.416,  -6.330,   2.079)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 53       ( -2.896,  -4.389, -11.917)  ( -2.889,  -4.374, -11.904)  ( 0.24,  0.34,  0.11)
163:     bond    (  1.758,  -3.138,  -2.882)  (  1.762,  -3.126,  -2.871)  ( 0.23,  0.41,  0.38)
163:     angle   (-18.853,   1.811, -13.541)  (-18.850,   1.812, -13.539)  ( 0.01,  0.09,  0.02)
163:     torsion (  8.054,   2.591,   2.121)  (  8.054,   2.591,   2.121)  ( 0.00,  0.00,  0.00)
163:     vdw     (  6.145,  -5.652,   2.385)  (  6.145,  -5.652,   2.385)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 54       (-15.234,  -2.793, -16.466)  (-15.230,  -2.789, -16.439)  ( 0.02,  0.13,  0.17)
163:     bond    (  0.489,  -0.125,  -5.592)  (  0.489,  -0.125,  -5.564)  ( 0.01,  0.00,  0.49)
163:     angle   ( -0.277,  -2.344,   0.028)  ( -0.274,  -2.342,   0.028)  ( 0.07,  0.12,  0.00)
163:     torsion (-15.165,  -2.831,  -1.270)  (-15.165,  -2.831,  -1.270)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -0.280,   2.507,  -9.633)  ( -0.280,   2.508,  -9.633)  ( 0.00,  0.02,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 55       (-35.014, -23.448, -13.773)  (-34.988, -23.444, -13.767)  ( 0.07,  0.02,  0.04)
163:     bond    (-42.421,  -3.708, -12.496)  (-42.395,  -3.708, -12.494)  ( 0.06,  0.00,  0.02)
163:     angle   (  2.620, -44.077,   4.186)  (  2.620, -44.074,   4.190)  ( 0.01,  0.01,  0.09)
163:     torsion (  1.119,   1.922,  -4.368)  (  1.119,   1.922,  -4.368)  ( 0.00,  0.00,  0.00)
163:     vdw     (  3.668,  22.415,  -1.095)  (  3.668,  22.416,  -1.095)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 56       ( -5.812, -27.433,  37.928)  ( -5.808, -27.429,  37.955)  ( 0.07,  0.02,  0.07)
163:     bond    (  0.956,   6.372,  29.517)  (  0.956,   6.373,  29.544)  ( 0.01,  0.02,  0.09)
163:     angle   (  6.708, -34.340,   7.190)  (  6.712, -34.336,   7.190)  ( 0.06,  0.01,  0.00)
163:     torsion ( -5.135,  -3.628,   0.949)  ( -5.135,  -3.628,   0.949)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -8.342,   4.162,   0.272)  ( -8.341,   4.162,   0.272)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 57       ( 24.496,  -2.483,  -6.484)  ( 24.503,  -2.464,  -6.474)  ( 0.03,  0.75,  0.15)
163:     bond    (  2.792,   5.902,  -3.640)  (  2.795,   5.919,  -3.634)  ( 0.14,  0.29,  0.18)
163:     angle   ( 24.017, -16.515,  -8.425)  ( 24.020, -16.514,  -8.422)  ( 0.01,  0.01,  0.04)
163:     torsion (  3.410,   1.056,   4.344)  (  3.410,   1.056,   4.344)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -5.722,   7.074,   1.237)  ( -5.722,   7.074,   1.237)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 58       ( -1.265, -41.556, -20.451)  ( -1.253, -41.537, -20.446)  ( 0.92,  0.05,  0.02)
163:     bond    ( 19.836, -27.005,  -6.315)  ( 19.845, -26.988,  -6.314)  ( 0.05,  0.06,  0.01)
163:     angle   (-27.049, -17.025, -12.251)  (-27.047, -17.024, -12.247)  ( 0.01,  0.01,  0.03)
163:     torsion (  0.947,   1.352,  -2.804)  (  0.947,   1.352,  -2.804)  ( 0.00,  0.00,  0.00)
163:     vdw     (  5.002,   1.122,   0.919)  (  5.002,   1.123,   0.919)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 59       (-12.302,  15.241, -22.467)  (-12.293,  15.260, -22.460)  ( 0.07,  0.13,  0.03)
163:     bond    (  5.921,  10.746,  -5.413)  (  5.926,  10.764,  -5.409)  ( 0.09,  0.17,  0.08)
163:     angle   (-24.933,   2.911, -21.522)  (-24.930,   2.913, -21.519)  ( 0.01,  0.05,  0.01)
163:     torsion ( -1.179,   1.820,   2.330)  ( -1.179,   1.820,   2.331)  ( 0.00,  0.00,  0.00)
163:     vdw     (  7.889,  -0.236,   2.137)  (  7.889,  -0.236,   2.137)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 60       (-22.289, -13.877,  21.831)  (-22.285, -13.872,  21.858)  ( 0.02,  0.03,  0.12)
163:     bond    ( -0.454,   2.644,  18.216)  ( -0.454,   2.645,  18.243)  ( 0.00,  0.02,  0.15)
163:     angle   (-31.660, -11.577,   0.890)  (-31.657, -11.573,   0.890)  ( 0.01,  0.03,  0.01)
163:     torsion (  0.274,  -3.709,   0.545)  (  0.274,  -3.709,   0.545)  ( 0.00,  0.00,  0.00)
163:     vdw     (  9.552,  -1.235,   2.180)  (  9.552,  -1.235,   2.180)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x94_x94.sdf
166:     bond    ( -1.203,  -0.681,   0.064)  ( -1.200,  -0.680,   0.064)  ( 0.25,  0.07,  0.00)
166:     angle   ( -3.337,   5.858,  -0.289)  ( -3.337,   5.858,  -0.289)  ( 0.00,  0.01,  0.00)
166:     strbnd  (  0.884,  -1.534,   0.070)  (  0.884,  -1.534,   0.070)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.026,  -0.127,  -1.856)  ( -0.026,  -0.127,  -1.856)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.003,  -0.017,  -0.242)  ( -0.002,  -0.012,  -0.171)  ( 0.00,  0.01,  1.70)
166:     vdw     (  0.644,   0.265,  -0.021)  (  0.644,   0.265,  -0.021)  ( 0.00,  0.00,  0.00)
166:     electro (  0.688,  -0.147,   0.070)  (  0.688,  -0.147,   0.070)  ( 0.00,  0.00,  0.00)
166: 13       ( -2.636,  -4.315,  -0.527)  ( -2.633,  -4.310,  -0.502)  ( 0.12,  0.11,  1.28)
166:     bond    ( -1.376,   1.267,  -0.103)  ( -1.374,   1.269,  -0.103)  ( 0.15,  0.14,  0.00)
166:     angle   ( -4.815,  -5.170,   0.545)  ( -4.815,  -5.170,   0.545)  ( 0.01,  0.01,  0.00)
166:     strbnd  (  1.880,   0.883,  -0.174)  (  1.880,   0.883,  -0.174)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.019,  -0.089,  -0.837)  ( -0.019,  -0.089,  -0.837)  ( 0.00,  0.00,  0.03)
166:     oop     ( -0.002,  -0.010,  -0.098)  ( -0.002,  -0.008,  -0.074)  ( 0.00,  0.00,  0.23)
166:     vdw     (  1.159,  -0.292,  -0.017)  (  1.159,  -0.292,  -0.017)  ( 0.00,  0.00,  0.00)
166:     electro (  0.537,  -0.904,   0.158)  (  0.537,  -0.904,   0.158)  ( 0.00,  0.00,  0.00)
166: 14       ( 26.387,  19.947,  15.099)  ( 26.412,  20.010,  15.009)  ( 0.09,  0.32,  0.60)
166:     bond    (  2.000,   0.807,   0.393)  (  2.004,   0.812,   0.397)  ( 0.19,  0.36,  0.17)
166:     angle   ( 29.017,  24.625,  15.667)  ( 29.019,  24.627,  15.669)  ( 0.01,  0.01,  0.01)
166:     strbnd  ( -3.684,  -7.464,  -4.429)  ( -3.685,  -7.465,  -4.430)  ( 0.02,  0.01,  0.02)
166:     torsion ( -0.089,  -0.284,   0.463)  ( -0.089,  -0.284,   0.463)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.074,  -0.220,   0.362)  ( -0.055,  -0.162,   0.267)  ( 0.14,  1.28,  3.46)
166:     vdw     ( -0.663,   2.502,   1.775)  ( -0.663,   2.502,   1.775)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.120,  -0.020,   0.867)  ( -0.120,  -0.020,   0.867)  ( 0.00,  0.00,  0.00)
166: 15       (  2.734,  -4.218,  -1.241)  (  2.755,  -4.158,  -1.336)  ( 0.79,  1.41,  7.69)
166:     bond    (  1.169,   0.545,   0.557)  (  1.172,   0.545,   0.558)  ( 0.23,  0.03,  0.03)
166:     angle   (  3.953,  -5.603,  -2.827)  (  3.953,  -5.602,  -2.827)  ( 0.00,  0.01,  0.00)
166:     strbnd  ( -0.998,   1.310,   0.666)  ( -0.998,   1.310,   0.666)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.049,  -0.169,   0.268)  ( -0.049,  -0.169,   0.269)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.064,  -0.204,   0.334)  ( -0.045,  -0.145,   0.237)  ( 0.12,  1.19,  3.22)
166:     vdw     ( -0.604,  -0.224,  -0.242)  ( -0.604,  -0.224,  -0.242)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.672,   0.127,   0.003)  ( -0.672,   0.127,   0.003)  ( 0.00,  0.00,  0.00)
166: 16       (  2.391,   3.742,   2.202)  (  2.389,   3.731,   2.224)  ( 0.08,  0.30,  0.99)
166:     bond    (  1.377,  -1.119,  -0.400)  (  1.379,  -1.118,  -0.400)  ( 0.16,  0.13,  0.01)
166:     angle   (  4.447,   4.280,   3.375)  (  4.447,   4.280,   3.375)  ( 0.01,  0.01,  0.01)
166:     strbnd  ( -1.774,  -0.686,  -0.825)  ( -1.774,  -0.686,  -0.825)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.054,   0.148,  -0.229)  (  0.054,   0.148,  -0.229)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.018,   0.053,  -0.087)  (  0.013,   0.040,  -0.065)  ( 0.01,  0.07,  0.18)
166:     vdw     ( -1.150,   0.297,  -0.072)  ( -1.149,   0.297,  -0.072)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.582,   0.770,   0.440)  ( -0.582,   0.770,   0.440)  ( 0.00,  0.00,  0.00)
166: 17       ( 12.700,  29.735,  18.160)  ( 12.714,  29.776,  18.099)  ( 0.11,  0.14,  0.34)
166:     bond    ( -3.169,  26.110,  15.008)  ( -3.169,  26.113,  15.009)  ( 0.01,  0.01,  0.01)
166:     angle   ( 14.067,   0.347,   2.366)  ( 14.068,   0.347,   2.366)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( -0.226,   2.694,   1.435)  ( -0.226,   2.694,   1.435)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.187,   0.538,  -0.897)  (  0.187,   0.538,  -0.897)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.055,  -0.172,   0.287)  ( -0.042,  -0.134,   0.224)  ( 0.07,  0.65,  1.81)
166:     vdw     ( -0.563,  -0.467,  -0.562)  ( -0.563,  -0.467,  -0.562)  ( 0.00,  0.00,  0.00)
166:     electro (  2.460,   0.686,   0.523)  (  2.460,   0.686,   0.523)  ( 0.00,  0.00,  0.00)
166: 18       (-16.599, -32.980,  10.375)  (-16.606, -32.943,  10.559)  ( 0.04,  0.11,  1.78)
166:     bond    (  1.321, -29.709,   5.246)  (  1.321, -29.705,   5.247)  ( 0.01,  0.01,  0.01)
166:     angle   (-16.050,  -0.489,   1.274)  (-16.050,  -0.489,   1.274)  ( 0.01,  0.00,  0.00)
166:     strbnd  (  0.072,  -3.233,   0.861)  (  0.072,  -3.233,   0.861)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.052,   0.751,   4.265)  ( -0.052,   0.751,   4.266)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.009,  -0.150,  -0.851)  (  0.001,  -0.118,  -0.667)  ( 0.01,  0.48, 15.66)
166:     vdw     (  0.603,   0.572,  -0.221)  (  0.603,   0.572,  -0.221)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.501,  -0.722,  -0.200)  ( -2.501,  -0.722,  -0.200)  ( 0.00,  0.00,  0.00)
166: 19       ( -9.549, -16.055,  -9.499)  ( -9.547, -16.054,  -9.498)  ( 0.02,  0.01,  0.01)
166:     bond    (  6.549,  -6.489,  -5.236)  (  6.550,  -6.488,  -5.235)  ( 0.02,  0.02,  0.02)
166:     angle   (-15.891, -11.333,  -5.837)  (-15.890, -11.333,  -5.837)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( -1.046,   0.503,   0.436)  ( -1.046,   0.503,   0.436)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.839,   1.264,   1.139)  (  0.839,   1.264,   1.139)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 20       ( -6.872,  -6.628,  -8.449)  ( -6.870,  -6.627,  -8.448)  ( 0.02,  0.01,  0.02)
166:     bond    ( -7.287,   3.445,  -8.054)  ( -7.286,   3.445,  -8.052)  ( 0.02,  0.01,  0.02)
166:     angle   ( -1.156, -10.327,  -3.372)  ( -1.156, -10.326,  -3.372)  ( 0.02,  0.01,  0.01)
166:     strbnd  (  1.415,  -1.060,   1.430)  (  1.415,  -1.060,   1.430)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.156,   1.313,   1.547)  (  0.156,   1.313,   1.547)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 21       ( -5.154, -11.419,  -3.897)  ( -5.153, -11.418,  -3.895)  ( 0.02,  0.01,  0.04)
166:     bond    ( -5.951,  -7.142,   6.246)  ( -5.950,  -7.141,   6.247)  ( 0.02,  0.02,  0.02)
166:     angle   ( -0.744,  -6.990,  -8.698)  ( -0.743,  -6.990,  -8.698)  ( 0.02,  0.00,  0.01)
166:     strbnd  (  1.377,   1.441,  -1.809)  (  1.377,   1.441,  -1.809)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.163,   1.273,   0.365)  (  0.163,   1.273,   0.365)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 22       (  6.707,  14.950,  -4.095)  (  6.709,  14.951,  -4.094)  ( 0.04,  0.00,  0.03)
166:     bond    ( 10.180,   0.038,  -5.182)  ( 10.183,   0.038,  -5.181)  ( 0.02,  0.00,  0.01)
166:     angle   ( -0.643,  16.864,  -1.139)  ( -0.642,  16.864,  -1.139)  ( 0.01,  0.00,  0.03)
166:     strbnd  ( -2.565,   0.430,   1.327)  ( -2.565,   0.430,   1.327)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.266,  -2.382,   0.899)  ( -0.266,  -2.382,   0.899)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 23       (  7.712,   7.044,   4.929)  (  7.712,   7.045,   4.931)  ( 0.01,  0.01,  0.05)
166:     bond    (  2.115,   4.636,   9.930)  (  2.115,   4.637,   9.932)  ( 0.01,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x95_x95.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x97_rx4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x9e_sve.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2x9f_x9f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xa4_az5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xae_2xa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xb5_i7t.sdf
167: ok 1 # energy 
167: ----------------------------------------------------------------------------------------
167:                                                                                         
167:   VALIDATE GRADIENTS : cudpas.xyz
167:                                                                                         
167:                                                                                         
167: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
167: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xb8_xnw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xba_571.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xbj_xbj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xbl_m7p.sdf
167:  1       (  0.007,  -0.034,  -0.015)  (  0.020,  -0.030,  -0.011)  ( 0.01,  0.01,  0.01)
167:     bond    ( -0.627,  15.886,  -4.916)  ( -0.627,  15.888,  -4.911)  ( 0.02,  0.01,  0.10)
167:     angle   (  0.285,  -5.925,   1.613)  (  0.285,  -5.923,   1.613)  ( 0.00,  0.03,  0.02)
167:     strbnd  (  0.281,  -0.139,   0.833)  (  0.281,  -0.139,   0.834)  ( 0.00,  0.00,  0.06)
167:     torsion (  1.474,  -0.034,  -0.301)  (  1.475,  -0.034,  -0.301)  ( 0.05,  0.00,  0.00)
167:     oop     ( -0.070,   0.000,   0.013)  ( -0.058,   0.000,   0.010)  ( 0.08,  0.00,  0.00)
167:     vdw     (  0.215,  -8.567,   1.182)  (  0.215,  -8.567,   1.182)  ( 0.00,  0.00,  0.00)
167:     electro ( -1.551,  -1.255,   1.561)  ( -1.551,  -1.255,   1.561)  ( 0.00,  0.00,  0.00)
167:  2       (  0.000,   0.058,   0.027)  (  0.024,   0.065,   0.030)  ( 0.00,  0.04,  0.01)
167:     bond    ( -2.164,  -2.951,  -9.934)  ( -2.163,  -2.945,  -9.929)  ( 0.01,  0.20,  0.05)
167:     angle   ( -0.734,   3.034,  -3.472)  ( -0.734,   3.036,  -3.470)  ( 0.01,  0.06,  0.05)
167:     strbnd  ( -0.457,   4.090,  -1.781)  ( -0.457,   4.089,  -1.781)  ( 0.00,  0.01,  0.01)
167:     torsion ( -0.364,   0.018,   0.072)  ( -0.363,   0.018,   0.072)  ( 0.04,  0.00,  0.00)
167:     oop     ( -0.132,  -0.000,   0.028)  ( -0.109,  -0.000,   0.023)  ( 0.29,  0.00,  0.01)
167:     vdw     (  2.945,  -6.240,  14.926)  (  2.945,  -6.240,  14.926)  ( 0.00,  0.00,  0.00)
167:     electro (  0.905,   2.108,   0.188)  (  0.905,   2.108,   0.188)  ( 0.00,  0.00,  0.00)
167:  3       ( -0.013,  -0.134,  -0.004)  ( -0.081,  -0.127,   0.017)  ( 0.09,  0.09,  0.01)
167:     bond    ( -2.856,   1.520, -14.141)  ( -2.856,   1.526, -14.136)  ( 0.01,  0.37,  0.04)
167:     angle   (  0.155,   3.466,   1.738)  (  0.155,   3.468,   1.740)  ( 0.00,  0.05,  0.09)
167:     strbnd  ( -0.578,  -2.580,  -2.569)  ( -0.578,  -2.580,  -2.569)  ( 0.00,  0.01,  0.00)
167:     torsion (  5.075,   0.158,  -0.979)  (  5.077,   0.158,  -0.979)  ( 0.02,  0.00,  0.00)
167:     oop     (  0.439,   0.006,  -0.089)  (  0.369,   0.005,  -0.074)  ( 3.06,  0.00,  0.13)
167:     vdw     ( -0.451,   3.238,  15.457)  ( -0.451,   3.238,  15.457)  ( 0.00,  0.01,  0.00)
167:     electro ( -1.798,  -5.942,   0.580)  ( -1.798,  -5.942,   0.580)  ( 0.00,  0.00,  0.00)
167:  4       (  0.002,   0.065,  -0.009)  (  0.146,   0.078,   0.012)  ( 0.03,  0.08,  0.02)
167:     bond    (  0.739,  -9.087,   3.961)  (  0.739,  -9.082,   3.966)  ( 0.03,  0.05,  0.13)
167:     angle   (  9.507,   2.833,   4.739)  (  9.507,   2.835,   4.740)  ( 0.00,  0.07,  0.03)
167:     strbnd  ( -2.902,   7.782,  -9.865)  ( -2.902,   7.782,  -9.865)  ( 0.01,  0.00,  0.00)
167:     torsion ( -1.466,  -0.116,   0.262)  ( -1.465,  -0.116,   0.263)  ( 0.07,  0.00,  0.00)
167:     oop     ( -0.861,  -0.029,   0.012)  ( -0.719,  -0.023,   0.026)  (12.21,  0.02,  0.02)
167:     vdw     ( -5.002,  -2.445,  -0.447)  ( -5.002,  -2.445,  -0.447)  ( 0.00,  0.01,  0.00)
167:     electro ( -0.012,   1.128,   1.328)  ( -0.012,   1.127,   1.328)  ( 0.00,  0.00,  0.00)
167:  5       (  0.005,  -0.046,   0.001)  ( -0.130,  -0.039,   0.034)  ( 0.07,  0.03,  0.00)
167:     bond    (  3.837,  -3.968,  21.878)  (  3.837,  -3.963,  21.884)  ( 0.01,  0.13,  0.03)
167:     angle   (  0.847, -10.923,   3.951)  (  0.847, -10.921,   3.952)  ( 0.01,  0.02,  0.05)
167:     strbnd  ( -1.746,  12.103, -11.050)  ( -1.746,  12.103, -11.050)  ( 0.01,  0.00,  0.01)
167:     torsion ( -3.129,  -0.067,   0.763)  ( -3.128,  -0.067,   0.763)  ( 0.04,  0.00,  0.00)
167:     oop     (  0.796,   0.002,  -0.144)  (  0.659,   0.002,  -0.119)  (10.87,  0.00,  0.36)
167:     vdw     ( -1.003,   0.572, -15.165)  ( -1.003,   0.573, -15.165)  ( 0.00,  0.01,  0.00)
167:     electro (  0.403,   2.234,  -0.231)  (  0.403,   2.234,  -0.231)  ( 0.00,  0.00,  0.00)
167:  6       ( -0.014,   0.019,  -0.059)  ( -0.034,   0.026,  -0.048)  ( 0.03,  0.01,  0.07)
167:     bond    (  2.360,   2.726,  12.251)  (  2.360,   2.732,  12.256)  ( 0.01,  0.21,  0.04)
167:     angle   ( -0.066,   1.649,  -0.869)  ( -0.066,   1.650,  -0.868)  ( 0.00,  0.11,  0.16)
167:     strbnd  (  0.208,   6.438,   1.157)  (  0.208,   6.438,   1.157)  ( 0.00,  0.01,  0.00)
167:     torsion ( -0.540,   0.017,   0.090)  ( -0.539,   0.017,   0.090)  ( 0.06,  0.00,  0.00)
167:     oop     (  0.087,  -0.000,  -0.019)  (  0.064,  -0.000,  -0.014)  ( 0.19,  0.00,  0.01)
167:     vdw     ( -2.723, -10.804, -13.580)  ( -2.723, -10.804, -13.580)  ( 0.00,  0.00,  0.00)
167:     electro (  0.661,  -0.008,   0.910)  (  0.661,  -0.008,   0.910)  ( 0.00,  0.00,  0.00)
167:  7       ( -0.000,  -0.025,   0.003)  (  0.044,  -0.019,  -0.000)  ( 0.00,  0.02,  0.00)
167:     bond    ( -0.276,   9.120,  -8.956)  ( -0.276,   9.125,  -8.952)  ( 0.01,  0.06,  0.04)
167:     angle   ( -2.902,   6.048,  -7.259)  ( -2.902,   6.049,  -7.258)  ( 0.00,  0.01,  0.01)
167:     strbnd  (  4.031,  -4.453,  22.176)  (  4.031,  -4.453,  22.175)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.760,  -0.466,  -0.265)  (  0.760,  -0.466,  -0.265)  ( 0.02,  0.00,  0.00)
167:     oop     ( -0.230,   0.002,   0.039)  ( -0.186,   0.002,   0.031)  ( 1.01,  0.00,  0.03)
167:     vdw     (  1.328,  -4.801,  -4.259)  (  1.328,  -4.800,  -4.259)  ( 0.00,  0.00,  0.00)
167:     electro ( -2.711,  -5.475,  -1.472)  ( -2.711,  -5.475,  -1.472)  ( 0.00,  0.00,  0.00)
167:  8       ( -0.053,   0.027,  -0.033)  ( -0.216,  -0.497,  -0.226)  ( 0.87,  1.39,  0.64)
167:     bond    ( -3.938,   9.942,  -2.316)  ( -3.934,   9.949,  -2.315)  ( 0.12,  0.07,  0.05)
167:     angle   ( -3.540, -17.066,  -4.696)  ( -3.538, -17.064,  -4.695)  ( 0.04,  0.01,  0.02)
167:     strbnd  (  4.437,  -1.012,   2.201)  (  4.437,  -1.013,   2.201)  ( 0.01,  0.09,  0.00)
167:     torsion (  2.311,  -0.228,  -0.758)  (  2.312,  -0.228,  -0.757)  ( 0.01,  0.00,  0.04)
167:     oop     (  1.408,   4.166,   1.238)  (  1.240,   3.633,   1.042)  (11.95, 12.78, 15.83)
167:     vdw     ( -0.128,   4.264,   1.509)  ( -0.128,   4.264,   1.509)  ( 0.00,  0.00,  0.01)
167:     electro ( -0.604,  -0.039,   2.789)  ( -0.604,  -0.039,   2.789)  ( 0.00,  0.00,  0.00)
167:  9       (  0.038,  -0.049,   0.024)  (  0.022,  -0.042,   0.070)  ( 0.06,  0.04,  0.11)
167:     bond    ( -6.811, -11.830,  -2.866)  ( -6.806, -11.826,  -2.865)  ( 0.08,  0.03,  0.04)
167:     angle   ( -5.541,  23.308,  -2.368)  ( -5.540,  23.310,  -2.368)  ( 0.01,  0.01,  0.01)
167:     strbnd  ( -9.346, -15.538,  -3.964)  ( -9.346, -15.538,  -3.964)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.130,   0.142,  -0.104)  ( -0.130,   0.142,  -0.103)  ( 0.00,  0.00,  0.01)
167:     oop     (  0.089,  -0.009,  -0.185)  (  0.068,  -0.007,  -0.140)  ( 0.19,  0.00,  0.82)
167:     vdw     (  4.010,   3.065,   1.034)  (  4.010,   3.065,   1.034)  ( 0.00,  0.00,  0.00)
167:     electro ( 17.767,   0.813,   8.478)  ( 17.767,   0.813,   8.478)  ( 0.00,  0.00,  0.00)
167: 10       ( -0.019,   0.024,  -0.011)  ( -0.016,   0.025,  -0.010)  ( 0.01,  0.00,  0.00)
167:     bond    ( -2.271,   0.707,  -0.996)  ( -2.268,   0.707,  -0.996)  ( 0.12,  0.02,  0.05)
167:     angle   ( -3.799, -14.334,  -1.531)  ( -3.799, -14.334,  -1.531)  ( 0.00,  0.00,  0.00)
167:     strbnd  ( -3.911,   0.756,  -1.713)  ( -3.911,   0.756,  -1.713)  ( 0.00,  0.01,  0.00)
167:     torsion ( -1.084,   0.022,   2.483)  ( -1.084,   0.022,   2.483)  ( 0.00,  0.00,  0.01)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( 12.753,  14.661,   1.096)  ( 12.753,  14.662,   1.096)  ( 0.00,  0.00,  0.00)
167:     electro ( -1.708,  -1.788,   0.651)  ( -1.708,  -1.788,   0.651)  ( 0.00,  0.00,  0.00)
167: 11       (  0.015,  -0.026,   0.001)  (  0.771,   2.628,   0.451)  ( 1.12,  6.89,  0.06)
167:     bond    (  3.189,  -2.270,  -2.910)  (  3.195,  -2.269,  -2.901)  ( 0.19,  0.03,  0.31)
167:     angle   (-10.982,  12.274, -10.144)  (-10.980,  12.275, -10.142)  ( 0.02,  0.01,  0.02)
167:     strbnd  (  9.932,  -4.142,   5.975)  (  9.932,  -4.142,   5.974)  ( 0.01,  0.00,  0.01)
167:     torsion (  1.366,   0.855,  -1.969)  (  1.366,   0.855,  -1.969)  ( 0.00,  0.01,  0.00)
167:     oop     ( -4.523, -15.083,  -2.694)  ( -3.775, -12.431,  -2.255)  (16.55, 17.58, 16.29)
167:     vdw     ( -4.277,   7.452,   2.371)  ( -4.277,   7.452,   2.371)  ( 0.00,  0.00,  0.00)
167:     electro (  5.310,   0.888,   9.373)  (  5.310,   0.888,   9.373)  ( 0.00,  0.00,  0.00)
167: 12       ( -0.011,   0.000,   0.007)  ( -0.290,  -1.084,  -0.175)  ( 0.29,  0.02,  0.14)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xbv_xbv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xbw_455.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xbx_rr8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xc3_rt8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xca_dgt.sdf
167:     bond    ( 10.583,  -1.441,  -7.782)  ( 10.587,  -1.441,  -7.780)  ( 0.04,  0.01,  0.03)
167:     angle   (  6.221,  -3.313,   9.078)  (  6.221,  -3.312,   9.079)  ( 0.01,  0.00,  0.01)
167:     strbnd  (  0.003,  -0.237,   0.497)  (  0.003,  -0.237,   0.497)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.228,  -0.717,  -0.178)  ( -0.228,  -0.717,  -0.178)  ( 0.00,  0.00,  0.00)
167:     oop     (  1.512,   5.503,   1.038)  (  1.228,   4.419,   0.853)  (18.78, 19.70, 17.87)
167:     vdw     ( -3.491,   1.297,  -0.137)  ( -3.491,   1.297,  -0.137)  ( 0.00,  0.00,  0.00)
167:     electro (-14.610,  -1.093,  -2.508)  (-14.609,  -1.093,  -2.508)  ( 0.00,  0.00,  0.00)
167: 13       ( -0.004,   0.006,  -0.028)  ( -0.292,  -1.034,  -0.161)  ( 0.12,  0.58,  0.38)
167:     bond    ( -0.347,  -2.236,  17.411)  ( -0.347,  -2.236,  17.418)  ( 0.00,  0.01,  0.04)
167:     angle   (  8.341,  -2.202,  -0.117)  (  8.342,  -2.202,  -0.117)  ( 0.01,  0.01,  0.00)
167:     strbnd  (  0.537,  -0.164,  -1.098)  (  0.537,  -0.164,  -1.098)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.007,   0.019,   0.003)  (  0.007,   0.019,   0.003)  ( 0.00,  0.00,  0.00)
167:     oop     (  1.643,   5.440,   0.731)  (  1.355,   4.400,   0.592)  (17.57, 19.11, 10.18)
167:     vdw     ( -4.303,   6.079,  -2.483)  ( -4.303,   6.079,  -2.483)  ( 0.00,  0.00,  0.00)
167:     electro ( -5.883,  -6.929, -14.476)  ( -5.883,  -6.929, -14.476)  ( 0.00,  0.00,  0.00)
167: 14       ( -0.006,   0.009,  -0.025)  ( -0.009,   0.010,  -0.021)  ( 0.00,  0.00,  0.01)
167:     bond    ( -0.262,   0.572,  -1.210)  ( -0.262,   0.573,  -1.207)  ( 0.00,  0.04,  0.25)
167:     angle   (  0.025,   0.262,   0.119)  (  0.025,   0.263,   0.119)  ( 0.00,  0.02,  0.00)
167:     strbnd  ( -0.068,  -0.555,  -0.311)  ( -0.068,  -0.555,  -0.311)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.529,  -0.000,   0.115)  ( -0.529,  -0.000,   0.115)  ( 0.01,  0.00,  0.00)
167:     oop     (  0.026,   0.000,  -0.006)  (  0.022,   0.000,  -0.005)  ( 0.01,  0.00,  0.00)
167:     vdw     (  0.090,  -0.573,   0.418)  (  0.090,  -0.573,   0.418)  ( 0.00,  0.00,  0.00)
167:     electro (  0.711,   0.304,   0.851)  (  0.711,   0.304,   0.851)  ( 0.00,  0.00,  0.00)
167: 15       (  0.011,   0.025,   0.020)  (  0.026,   0.027,   0.019)  ( 0.02,  0.00,  0.00)
167:     bond    ( -0.317,  -1.110,  -1.455)  ( -0.317,  -1.109,  -1.453)  ( 0.00,  0.12,  0.16)
167:     angle   (  0.046,  -0.282,   0.205)  (  0.046,  -0.282,   0.205)  ( 0.00,  0.01,  0.00)
167:     strbnd  ( -0.095,   0.271,  -0.498)  ( -0.095,   0.271,  -0.498)  ( 0.00,  0.00,  0.00)
167:     torsion ( -1.381,   0.015,   0.290)  ( -1.380,   0.015,   0.290)  ( 0.02,  0.00,  0.00)
167:     oop     ( -0.079,   0.000,   0.017)  ( -0.065,   0.000,   0.014)  ( 0.11,  0.00,  0.01)
167:     vdw     ( -0.910,  -2.950,   3.814)  ( -0.910,  -2.950,   3.814)  ( 0.00,  0.00,  0.00)
167:     electro (  2.748,   4.081,  -2.353)  (  2.748,   4.081,  -2.353)  ( 0.00,  0.00,  0.00)
167: 16       ( -0.000,  -0.001,   0.020)  (  0.015,   0.001,   0.020)  ( 0.00,  0.00,  0.00)
167:     bond    (  0.218,   1.033,   1.174)  (  0.219,   1.034,   1.176)  ( 0.00,  0.16,  0.18)
167:     angle   ( -0.076,   0.463,  -0.393)  ( -0.076,   0.463,  -0.393)  ( 0.00,  0.02,  0.01)
167:     strbnd  (  0.016,  -0.834,   0.057)  (  0.016,  -0.834,   0.057)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.089,  -0.002,   0.018)  ( -0.089,  -0.002,   0.018)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.109,   0.000,   0.020)  ( -0.094,   0.000,   0.017)  ( 0.17,  0.00,  0.01)
167:     vdw     (  0.013,  -2.157,   0.235)  (  0.013,  -2.157,   0.235)  ( 0.00,  0.00,  0.00)
167:     electro (  0.026,   1.497,  -1.090)  (  0.026,   1.496,  -1.090)  ( 0.00,  0.00,  0.00)
167: 17       ( -0.000,   0.006,  -0.002)  ( -0.000,   0.011,  -0.001)  ( 0.00,  0.00,  0.00)
167:     bond    ( -1.080,  -6.670,   0.744)  ( -1.080,  -6.665,   0.744)  ( 0.02,  0.08,  0.01)
167:     angle   (  2.207,   0.691,   9.393)  (  2.207,   0.691,   9.393)  ( 0.00,  0.00,  0.00)
167:     strbnd  ( -0.344,  -1.784,  -0.047)  ( -0.344,  -1.784,  -0.047)  ( 0.00,  0.00,  0.00)
167:     torsion ( -2.062,   0.385,   0.456)  ( -2.062,   0.385,   0.456)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.933,  -2.094,  -5.972)  (  0.933,  -2.094,  -5.971)  ( 0.00,  0.00,  0.00)
167:     electro (  0.346,   9.478,  -4.577)  (  0.346,   9.478,  -4.577)  ( 0.00,  0.00,  0.00)
167: ok 2 # gradients 
167: ok 3 # energy 
167: ----------------------------------------------------------------------------------------
167:                                                                                         
167:   VALIDATE GRADIENTS : fadvub.xyz
167:                                                                                         
167:                                                                                         
167: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
167: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xcf_bbq.sdf
164: 68       (  0.121,   0.190,   0.044)  (  0.122,   0.191,   0.047)  ( 0.01,  0.02,  0.01)
164:     bond    ( -0.946,   0.945,   2.916)  ( -0.946,   0.945,   2.919)  ( 0.03,  0.03,  0.09)
164:     angle   (  2.086,  -0.263,   0.761)  (  2.086,  -0.263,   0.761)  ( 0.03,  0.01,  0.01)
164:     strbnd  (  0.013,  -1.433,  -0.930)  (  0.013,  -1.433,  -0.930)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.192,  -1.114,   0.423)  (  0.192,  -1.114,   0.423)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.224,   2.055,  -3.126)  ( -1.224,   2.055,  -3.126)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 69       (  0.670,   0.306,   0.584)  (  0.671,   0.308,   0.587)  ( 0.08,  0.04,  0.14)
164:     bond    ( -0.089,   0.102,   0.156)  ( -0.088,   0.103,   0.158)  ( 0.01,  0.01,  0.03)
164:     angle   (  0.439,  -2.980,   2.180)  (  0.440,  -2.979,   2.180)  ( 0.02,  0.02,  0.01)
164:     strbnd  (  0.329,   0.312,   1.723)  (  0.329,   0.312,   1.723)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.972,  -0.601,   0.932)  (  0.972,  -0.601,   0.933)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.982,   3.473,  -4.407)  ( -0.982,   3.473,  -4.407)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 70       (  0.106,   0.582,   0.566)  (  0.107,   0.583,   0.568)  ( 0.02,  0.04,  0.13)
164:     bond    (  1.818,  -0.560,   2.482)  (  1.819,  -0.560,   2.484)  ( 0.06,  0.01,  0.08)
164:     angle   ( -0.401,  -1.568,  -0.060)  ( -0.400,  -1.567,  -0.060)  ( 0.01,  0.04,  0.00)
164:     strbnd  ( -0.251,  -0.339,  -2.165)  ( -0.251,  -0.339,  -2.165)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.175,   0.745,   1.028)  ( -1.175,   0.745,   1.028)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.115,   2.304,  -0.719)  (  0.115,   2.304,  -0.719)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 71       (  0.738,   0.197,   0.250)  (  0.741,   0.198,   0.251)  ( 0.20,  0.02,  0.02)
164:     bond    (  1.848,   0.749,  -0.682)  (  1.850,   0.749,  -0.682)  ( 0.14,  0.03,  0.02)
164:     angle   ( -0.676,  -2.968,  -5.094)  ( -0.676,  -2.967,  -5.094)  ( 0.01,  0.02,  0.01)
164:     strbnd  ( -1.187,  -1.166,  -0.503)  ( -1.187,  -1.166,  -0.503)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.213,  -0.324,   0.223)  (  0.213,  -0.324,   0.223)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.541,   3.906,   6.307)  (  0.541,   3.906,   6.307)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 72       (  0.699,   1.329,  -0.078)  (  0.701,   1.330,  -0.076)  ( 0.13,  0.05,  0.02)
164:     bond    ( -0.821,   0.235,  -0.916)  ( -0.820,   0.235,  -0.914)  ( 0.12,  0.00,  0.17)
164:     angle   (  3.757,  -0.301,  -3.447)  (  3.757,  -0.301,  -3.447)  ( 0.01,  0.01,  0.01)
164:     strbnd  (  1.187,  -0.802,  -0.115)  (  1.187,  -0.802,  -0.115)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.090,  -0.149,   0.042)  ( -0.090,  -0.149,   0.042)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.334,   2.346,   4.357)  ( -3.333,   2.346,   4.357)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 73       ( -0.259,   0.501,  -0.385)  ( -0.258,   0.505,  -0.385)  ( 0.01,  0.17,  0.02)
164:     bond    ( -0.024,   0.218,  -0.017)  ( -0.024,   0.221,  -0.017)  ( 0.00,  0.07,  0.00)
164:     angle   (  2.747,   0.023,  -3.607)  (  2.748,   0.023,  -3.606)  ( 0.02,  0.00,  0.02)
164:     strbnd  (  0.214,   0.580,  -1.173)  (  0.214,   0.580,  -1.173)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.122,  -0.015,  -0.032)  ( -0.122,  -0.015,  -0.032)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.075,  -0.304,   4.442)  ( -3.075,  -0.304,   4.443)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 74       (  0.198,   2.184,  -1.550)  (  0.200,   2.185,  -1.547)  ( 0.04,  0.04,  0.23)
164:     bond    ( -0.028,  -0.019,  -0.043)  ( -0.027,  -0.018,  -0.040)  ( 0.00,  0.00,  0.01)
164:     angle   (  2.217,   0.907,  -1.911)  (  2.217,   0.907,  -1.911)  ( 0.01,  0.00,  0.01)
164:     strbnd  (  0.644,   0.343,   0.113)  (  0.644,   0.343,   0.113)  ( 0.01,  0.00,  0.00)
164:     torsion ( -0.820,   1.602,  -0.191)  ( -0.820,   1.602,  -0.191)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.896,  -0.668,   0.650)  ( -1.896,  -0.668,   0.650)  ( 0.00,  0.00,  0.00)
164:     electro (  0.081,   0.018,  -0.168)  (  0.081,   0.018,  -0.168)  ( 0.00,  0.00,  0.00)
164: ok 22 # gradients 
164: ok 23 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xch_ckg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xck_mh4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xd6_xd6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xd9_xd9.sdf
167:  1       (  0.032,  -0.022,  -0.017)  (  0.040,  -0.014,  -0.012)  ( 0.03,  0.02,  0.01)
167:     bond    (  4.193,  -0.133,   4.673)  (  4.200,  -0.126,   4.676)  ( 0.15,  0.09,  0.07)
167:     angle   (-17.099,  -3.471,  -8.358)  (-17.096,  -3.469,  -8.356)  ( 0.01,  0.07,  0.03)
167:     strbnd  (  4.695,   5.793,   5.057)  (  4.694,   5.792,   5.057)  ( 0.02,  0.01,  0.01)
167:     torsion ( -0.415,  -0.232,   3.381)  ( -0.415,  -0.232,   3.381)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.119,  -2.488,  -2.762)  ( -0.119,  -2.488,  -2.762)  ( 0.00,  0.00,  0.00)
167:     electro (  8.777,   0.508,  -2.008)  (  8.777,   0.508,  -2.008)  ( 0.00,  0.00,  0.00)
167:  2       ( -0.013,   0.003,   0.000)  ( -0.008,   0.006,   0.001)  ( 0.01,  0.00,  0.00)
167:     bond    (  1.103,  -0.872,   0.032)  (  1.108,  -0.869,   0.032)  ( 0.43,  0.26,  0.00)
167:     angle   (  5.971,   7.760,   4.115)  (  5.971,   7.760,   4.115)  ( 0.00,  0.01,  0.02)
167:     strbnd  ( -1.798,   1.228,  -0.204)  ( -1.798,   1.228,  -0.204)  ( 0.00,  0.01,  0.00)
167:     torsion ( -0.240,  -0.377,  -1.934)  ( -0.240,  -0.377,  -1.934)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -3.447,  -0.778,  -4.529)  ( -3.447,  -0.778,  -4.529)  ( 0.00,  0.00,  0.00)
167:     electro ( -1.601,  -6.958,   2.522)  ( -1.601,  -6.958,   2.522)  ( 0.00,  0.00,  0.00)
167:  3       ( -0.004,   0.032,   0.024)  ( -0.000,   0.037,   0.026)  ( 0.00,  0.02,  0.00)
167:     bond    (  2.117,   3.479,   0.356)  (  2.120,   3.484,   0.357)  ( 0.15,  0.14,  0.04)
167:     angle   (  5.205,   1.489,   6.637)  (  5.206,   1.489,   6.638)  ( 0.02,  0.02,  0.01)
167:     strbnd  (  0.649,  -4.129,  -1.875)  (  0.649,  -4.130,  -1.875)  ( 0.00,  0.01,  0.01)
167:     torsion ( -1.574,   1.955,  -4.025)  ( -1.574,   1.955,  -4.025)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -1.957,  -2.115,  -2.420)  ( -1.957,  -2.115,  -2.420)  ( 0.00,  0.00,  0.00)
167:     electro ( -4.445,  -0.646,   1.351)  ( -4.445,  -0.646,   1.351)  ( 0.00,  0.00,  0.00)
167:  4       (  0.013,   0.008,   0.009)  (  0.018,   0.014,   0.015)  ( 0.01,  0.00,  0.01)
167:     bond    ( -4.350,  -2.902,   1.332)  ( -4.346,  -2.898,   1.336)  ( 0.09,  0.15,  0.33)
167:     angle   (  2.535,   3.636,  -0.898)  (  2.537,   3.638,  -0.897)  ( 0.07,  0.05,  0.15)
167:     strbnd  ( -0.741,  -1.162,   0.765)  ( -0.742,  -1.163,   0.764)  ( 0.06,  0.04,  0.04)
167:     torsion (  0.668,  -0.672,   0.545)  (  0.668,  -0.672,   0.545)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.251,   0.436,  -2.285)  (  0.251,   0.436,  -2.285)  ( 0.00,  0.00,  0.00)
167:     electro (  1.651,   0.673,   0.551)  (  1.651,   0.673,   0.551)  ( 0.00,  0.00,  0.00)
167:  5       ( -0.017,  -0.028,  -0.024)  ( -0.011,  -0.023,  -0.020)  ( 0.01,  0.01,  0.01)
167:     bond    ( -5.276,  10.539,   0.735)  ( -5.272,  10.543,   0.738)  ( 0.08,  0.04,  0.23)
167:     angle   (  5.214, -11.328,   4.079)  (  5.216, -11.326,   4.081)  ( 0.04,  0.02,  0.05)
167:     strbnd  (  0.208,   1.026,  -1.791)  (  0.207,   1.025,  -1.792)  ( 0.01,  0.09,  0.06)
167:     torsion (  1.012,   1.023,  -1.293)  (  1.012,   1.023,  -1.293)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -3.996,  -2.526,  -2.331)  ( -3.996,  -2.526,  -2.331)  ( 0.00,  0.00,  0.00)
167:     electro (  2.822,   1.238,   0.577)  (  2.822,   1.238,   0.577)  ( 0.00,  0.00,  0.00)
167:  6       (  0.047,   0.015,  -0.035)  (  0.053,   0.020,  -0.030)  ( 0.03,  0.01,  0.02)
167:     bond    (  3.643,  -8.573,  -2.156)  (  3.647,  -8.569,  -2.152)  ( 0.12,  0.05,  0.18)
167:     angle   ( -3.553,  12.963,  -7.820)  ( -3.551,  12.965,  -7.818)  ( 0.05,  0.02,  0.03)
167:     strbnd  (  3.941,  -0.711,   4.570)  (  3.941,  -0.712,   4.569)  ( 0.01,  0.05,  0.02)
167:     torsion ( -0.466,  -2.160,   2.319)  ( -0.466,  -2.160,   2.319)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -3.518,  -1.505,   3.052)  ( -3.518,  -1.505,   3.052)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:  7       (  0.020,   0.062,  -0.058)  ( -0.071,   0.288,  -0.172)  ( 0.18,  1.40,  0.66)
167:     bond    ( 11.219,  18.634,   3.192)  ( 11.222,  18.638,   3.196)  ( 0.03,  0.02,  0.12)
167:     angle   ( -2.190, -11.744,   1.811)  ( -2.188, -11.742,   1.813)  ( 0.09,  0.02,  0.12)
167:     strbnd  ( -6.827,  -7.330,  -8.396)  ( -6.828,  -7.331,  -8.397)  ( 0.01,  0.01,  0.01)
167:     torsion ( -2.070,   0.870,   0.194)  ( -2.070,   0.870,   0.194)  ( 0.00,  0.00,  0.00)
167:     oop     (  1.043,  -2.385,   1.346)  (  0.948,  -2.164,   1.226)  ( 9.15,  9.24,  8.89)
167:     vdw     ( -0.143,   1.896,   2.023)  ( -0.143,   1.896,   2.023)  ( 0.00,  0.00,  0.00)
167:     electro ( -1.011,   0.120,  -0.229)  ( -1.011,   0.120,  -0.229)  ( 0.00,  0.00,  0.00)
167:  8       ( -0.037,  -0.036,   0.030)  ( -0.030,  -0.029,   0.037)  ( 0.03,  0.02,  0.02)
167:     bond    ( 31.436,  -5.462,  -8.582)  ( 31.441,  -5.456,  -8.577)  ( 0.02,  0.09,  0.06)
167:     angle   ( 24.318,   2.673, -13.460)  ( 24.320,   2.675, -13.458)  ( 0.01,  0.08,  0.02)
167:     strbnd  ( -3.349,   3.958,   4.185)  ( -3.349,   3.958,   4.185)  ( 0.01,  0.01,  0.01)
167:     torsion (  0.865,   0.668,  -0.128)  (  0.865,   0.668,  -0.128)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (-15.296,  -0.490,   6.181)  (-15.295,  -0.490,   6.182)  ( 0.00,  0.00,  0.00)
167:     electro (-38.012,  -1.383,  11.833)  (-38.012,  -1.383,  11.833)  ( 0.00,  0.01,  0.00)
167:  9       ( -0.084,   0.011,   0.103)  (  0.977,  -2.037,   1.266)  ( 8.96,  2.15, 12.00)
167:     bond    (-24.944,   7.709,  33.079)  (-24.940,   7.712,  33.088)  ( 0.01,  0.04,  0.03)
167:     angle   (-17.079,   0.187,  13.198)  (-17.077,   0.188,  13.199)  ( 0.01,  0.02,  0.01)
167:     strbnd  ( 11.466,  -5.334, -19.281)  ( 11.465,  -5.335, -19.282)  ( 0.01,  0.01,  0.01)
167:     torsion (  0.142,  -0.694,  -0.397)  (  0.142,  -0.694,  -0.396)  ( 0.00,  0.00,  0.00)
167:     oop     ( -4.647,   9.685,  -5.474)  ( -3.590,   7.635,  -4.320)  (22.74, 21.18, 21.08)
167:     vdw     (  6.485,  -1.479,  -2.117)  (  6.485,  -1.479,  -2.117)  ( 0.00,  0.00,  0.00)
167:     electro ( 28.493, -10.064, -18.905)  ( 28.493, -10.064, -18.904)  ( 0.00,  0.00,  0.00)
167: 10       (  0.052,  -0.027,  -0.107)  ( -0.475,   0.999,  -0.671)  ( 2.75,  2.73,  6.04)
167:     bond    (  7.223,  -4.901, -15.530)  (  7.224,  -4.900, -15.524)  ( 0.02,  0.01,  0.04)
167:     angle   ( -0.823,   0.087,  -0.410)  ( -0.822,   0.087,  -0.410)  ( 0.06,  0.00,  0.00)
167:     strbnd  ( -5.921,   2.262,   9.306)  ( -5.920,   2.262,   9.306)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.293,   0.686,  -0.353)  ( -0.293,   0.686,  -0.353)  ( 0.00,  0.00,  0.00)
167:     oop     (  1.878,  -3.841,   2.086)  (  1.349,  -2.816,   1.517)  (28.20, 26.69, 27.32)
167:     vdw     ( 10.301,   3.828,   1.517)  ( 10.301,   3.828,   1.517)  ( 0.00,  0.00,  0.00)
167:     electro (-12.313,   1.852,   3.276)  (-12.313,   1.852,   3.276)  ( 0.00,  0.00,  0.00)
167: 11       (  0.001,  -0.001,  -0.007)  ( -0.428,   0.808,  -0.467)  ( 0.06,  0.12,  0.34)
167:     bond    ( -5.364, -10.247, -12.843)  ( -5.364, -10.244, -12.839)  ( 0.01,  0.02,  0.03)
167:     angle   ( 17.615,   2.690,  -9.506)  ( 17.616,   2.690,  -9.506)  ( 0.00,  0.00,  0.00)
167:     strbnd  ( -0.975,   4.889,   8.707)  ( -0.975,   4.889,   8.707)  ( 0.01,  0.00,  0.00)
167:     torsion (  0.208,  -0.464,   0.284)  (  0.208,  -0.464,   0.284)  ( 0.00,  0.00,  0.00)
167:     oop     (  1.725,  -3.462,   2.041)  (  1.294,  -2.654,   1.578)  (24.99, 23.32, 22.72)
167:     vdw     ( 20.549,   2.004,  -4.094)  ( 20.550,   2.004,  -4.094)  ( 0.00,  0.00,  0.00)
167:     electro (-33.756,   4.588,  15.404)  (-33.756,   4.588,  15.404)  ( 0.00,  0.00,  0.00)
167: 12       ( -0.014,  -0.020,  -0.003)  ( -0.011,  -0.018,  -0.003)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xda_jps.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xe2_oes.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xef_ar8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xeg_ci9.sdf
167:     bond    ( -2.108,  -1.364,   0.667)  ( -2.104,  -1.362,   0.667)  ( 0.15,  0.09,  0.02)
167:     angle   (  1.431,  -3.486,  -2.605)  (  1.431,  -3.486,  -2.605)  ( 0.00,  0.01,  0.01)
167:     strbnd  ( -0.286,  -0.078,   0.143)  ( -0.286,  -0.077,   0.143)  ( 0.00,  0.00,  0.00)
167:     torsion (  1.600,  -1.233,   2.529)  (  1.600,  -1.233,   2.529)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.031,  -0.022,  -0.112)  ( -0.031,  -0.022,  -0.112)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.620,   6.163,  -0.625)  ( -0.620,   6.163,  -0.625)  ( 0.00,  0.00,  0.00)
167: 13       ( -0.027,   0.011,  -0.004)  ( -0.024,   0.012,  -0.004)  ( 0.01,  0.00,  0.00)
167:     bond    (  0.777,  -0.529,   0.119)  (  0.779,  -0.528,   0.119)  ( 0.18,  0.06,  0.00)
167:     angle   ( -0.885,  -1.096,   0.925)  ( -0.884,  -1.096,   0.926)  ( 0.01,  0.03,  0.04)
167:     strbnd  ( -1.504,   0.684,  -0.090)  ( -1.504,   0.684,  -0.090)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.038,  -0.109,  -0.234)  ( -0.038,  -0.109,  -0.234)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.623,   1.061,  -0.724)  (  1.623,   1.061,  -0.724)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 14       ( -0.007,  -0.027,  -0.010)  ( -0.006,  -0.024,  -0.009)  ( 0.00,  0.01,  0.00)
167:     bond    (  0.115,   1.126,   0.629)  (  0.115,   1.129,   0.630)  ( 0.00,  0.23,  0.05)
167:     angle   ( -0.934,  -0.881,   1.748)  ( -0.934,  -0.881,   1.748)  ( 0.05,  0.01,  0.02)
167:     strbnd  ( -0.363,  -1.245,  -0.504)  ( -0.363,  -1.245,  -0.504)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.233,   0.175,  -0.272)  ( -0.233,   0.175,  -0.272)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.409,   0.798,  -1.611)  (  1.409,   0.798,  -1.611)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 15       ( -0.001,  -0.003,  -0.008)  ( -0.000,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.078,   0.087,  -0.487)  ( -0.077,   0.087,  -0.484)  ( 0.00,  0.00,  0.16)
167:     angle   ( -0.356,  -1.049,  -0.131)  ( -0.355,  -1.048,  -0.131)  ( 0.02,  0.04,  0.00)
167:     strbnd  ( -0.107,  -0.325,   1.008)  ( -0.107,  -0.325,   1.008)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.227,   0.446,   0.116)  ( -0.227,   0.446,   0.116)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.767,   0.838,  -0.514)  (  0.767,   0.839,  -0.514)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 16       ( -0.007,   0.000,   0.002)  ( -0.004,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
167:     bond    (  0.169,  -0.061,   0.004)  (  0.172,  -0.060,   0.004)  ( 0.05,  0.00,  0.00)
167:     angle   (  1.751,   5.151,   2.051)  (  1.751,   5.151,   2.052)  ( 0.00,  0.01,  0.03)
167:     strbnd  ( -0.007,   0.573,  -0.048)  ( -0.007,   0.573,  -0.048)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.110,  -0.369,  -0.744)  ( -0.110,  -0.369,  -0.744)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -1.811,  -5.293,  -1.262)  ( -1.811,  -5.293,  -1.262)  ( 0.00,  0.00,  0.01)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 17       ( -0.003,  -0.013,   0.004)  ( -0.001,  -0.011,   0.005)  ( 0.00,  0.00,  0.00)
167:     bond    (  1.206,   1.529,  -0.696)  (  1.207,   1.530,  -0.695)  ( 0.10,  0.12,  0.03)
167:     angle   ( -0.729,  -0.235,  -1.783)  ( -0.729,  -0.235,  -1.782)  ( 0.02,  0.01,  0.03)
167:     strbnd  ( -0.850,  -0.116,   0.251)  ( -0.850,  -0.116,   0.251)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.296,   0.197,   0.948)  (  0.296,   0.197,   0.948)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.074,  -1.387,   1.283)  (  0.074,  -1.387,   1.284)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 18       ( -0.002,  -0.011,   0.015)  ( -0.001,  -0.009,   0.017)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.434,  -2.155,   1.394)  ( -0.434,  -2.153,   1.395)  ( 0.00,  0.11,  0.07)
167:     angle   (  1.665,  -1.741,  -2.169)  (  1.666,  -1.741,  -2.169)  ( 0.03,  0.01,  0.02)
167:     strbnd  (  0.479,   0.577,  -0.839)  (  0.479,   0.577,  -0.839)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.578,  -0.321,  -0.316)  (  0.578,  -0.321,  -0.316)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -2.290,   3.630,   1.944)  ( -2.290,   3.630,   1.945)  ( 0.00,  0.00,  0.01)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 19       ( -0.048,  -0.003,   0.010)  ( -0.045,  -0.002,   0.010)  ( 0.02,  0.00,  0.00)
167:     bond    (  3.011,  -0.074,  -0.795)  (  3.014,  -0.074,  -0.795)  ( 0.10,  0.00,  0.02)
167:     angle   (  0.861,   0.161,   3.246)  (  0.861,   0.162,   3.247)  ( 0.00,  0.01,  0.02)
167:     strbnd  ( -1.180,  -0.479,   0.265)  ( -1.180,  -0.479,   0.265)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.346,   0.357,  -1.346)  ( -0.346,   0.357,  -1.346)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -2.394,   0.033,  -1.359)  ( -2.394,   0.033,  -1.359)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 20       ( -0.003,  -0.042,   0.032)  ( -0.002,  -0.039,   0.034)  ( 0.00,  0.01,  0.00)
167:     bond    ( -0.042,   1.240,  -0.654)  ( -0.042,   1.243,  -0.653)  ( 0.00,  0.21,  0.05)
167:     angle   ( -0.781,  -1.615,  -3.020)  ( -0.780,  -1.614,  -3.020)  ( 0.04,  0.01,  0.02)
167:     strbnd  ( -0.130,   0.941,   1.010)  ( -0.130,   0.941,   1.010)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.609,   0.345,   0.616)  (  0.609,   0.345,   0.616)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.342,  -0.953,   2.080)  (  0.342,  -0.953,   2.080)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 21       (  0.012,   0.012,  -0.003)  (  0.014,   0.013,  -0.002)  ( 0.00,  0.00,  0.00)
167:     bond    (-16.919,  -7.195,  -8.595)  (-16.917,  -7.195,  -8.594)  ( 0.02,  0.01,  0.01)
167:     angle   ( -8.625,   3.959,  13.661)  ( -8.625,   3.959,  13.662)  ( 0.00,  0.01,  0.00)
167:     strbnd  (  0.614,  -0.231,  -0.297)  (  0.614,  -0.231,  -0.297)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.035,  -0.717,   0.668)  ( -0.035,  -0.717,   0.668)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -6.207,   2.647,   6.206)  ( -6.207,   2.647,   6.206)  ( 0.00,  0.00,  0.00)
167:     electro ( 31.183,   1.549, -11.648)  ( 31.183,   1.549, -11.648)  ( 0.00,  0.01,  0.00)
167: 22       (  0.006,   0.001,  -0.013)  (  0.008,   0.003,  -0.011)  ( 0.00,  0.00,  0.00)
167:     bond    ( -4.934,  -3.520,   6.017)  ( -4.932,  -3.519,   6.019)  ( 0.03,  0.02,  0.04)
167:     angle   ( -3.213,   0.593,  -2.286)  ( -3.213,   0.593,  -2.286)  ( 0.01,  0.03,  0.01)
167:     strbnd  (  1.267,  -0.292,  -1.268)  (  1.267,  -0.292,  -1.268)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.847,   0.124,  -0.622)  ( -0.847,   0.124,  -0.622)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.353,   0.460,   0.417)  ( -0.353,   0.460,   0.417)  ( 0.00,  0.00,  0.00)
167:     electro (  8.086,   2.636,  -2.271)  (  8.086,   2.636,  -2.271)  ( 0.00,  0.00,  0.00)
167: 23       (  0.007,   0.003,  -0.009)  (  0.008,   0.006,  -0.008)  ( 0.00,  0.00,  0.00)
167:     bond    ( -1.822,   3.586,  -1.944)  ( -1.821,   3.589,  -1.943)  ( 0.04,  0.08,  0.04)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xei_ark.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xej_okd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xg4_xc2.sdf
164:  1       ( -0.188,  -0.096,  -0.051)  ( -0.199,  -0.052,  -0.005)  ( 0.20,  0.42,  0.24)
164:     bond    (  6.718,   6.276,  -0.511)  (  6.723,   6.283,  -0.510)  ( 0.07,  0.11,  0.05)
164:     angle   (  7.350,   2.161,   1.524)  (  7.352,   2.163,   1.524)  ( 0.02,  0.08,  0.00)
164:     strbnd  ( -5.562,  -3.003,  -0.620)  ( -5.562,  -3.004,  -0.620)  ( 0.00,  0.02,  0.00)
164:     torsion (  0.209,  -0.213,  -0.135)  (  0.209,  -0.213,  -0.134)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.102,  -0.210,  -0.295)  (  0.085,  -0.175,  -0.250)  ( 0.17,  0.74,  1.31)
164:     vdw     ( -9.274,  -5.085,  -0.061)  ( -9.274,  -5.085,  -0.061)  ( 0.00,  0.00,  0.00)
164:     electro (  0.268,  -0.021,   0.047)  (  0.268,  -0.021,   0.047)  ( 0.00,  0.00,  0.00)
164:  2       ( -0.091,  -0.060,  -0.056)  ( -0.090,  -0.044,  -0.030)  ( 0.01,  0.09,  0.14)
164:     bond    (  5.859,  -4.939,   3.180)  (  5.864,  -4.931,   3.182)  ( 0.09,  0.16,  0.04)
164:     angle   ( -5.582,   0.865,  -2.937)  ( -5.580,   0.867,  -2.937)  ( 0.03,  0.13,  0.01)
164:     strbnd  (  3.439,  -2.665,   1.582)  (  3.438,  -2.666,   1.582)  ( 0.02,  0.03,  0.00)
164:     torsion ( -0.645,   0.747,   3.059)  ( -0.645,   0.747,   3.060)  ( 0.01,  0.01,  0.04)
164:     oop     (  0.034,  -0.042,  -0.149)  (  0.029,  -0.036,  -0.126)  ( 0.02,  0.03,  0.35)
164:     vdw     ( -3.802,   4.778,  -4.508)  ( -3.801,   4.778,  -4.508)  ( 0.01,  0.00,  0.00)
164:     electro (  0.606,   1.196,  -0.282)  (  0.606,   1.196,  -0.282)  ( 0.00,  0.00,  0.00)
164:  3       (  0.200,  -0.018,  -0.182)  (  0.192,  -0.006,  -0.027)  ( 0.16,  0.02,  2.83)
164:     bond    (  8.537,   8.504,   0.695)  (  8.543,   8.515,   0.695)  ( 0.06,  0.14,  0.00)
164:     angle   (-28.587,  -3.313,  -5.216)  (-28.584,  -3.311,  -5.216)  ( 0.01,  0.05,  0.00)
164:     strbnd  ( 13.895,   1.569,   1.674)  ( 13.894,   1.567,   1.674)  ( 0.01,  0.12,  0.00)
164:     torsion ( -0.070,   0.291,  -0.883)  ( -0.070,   0.291,  -0.883)  ( 0.00,  0.00,  0.04)
164:     oop     (  0.085,  -0.003,  -0.855)  (  0.070,  -0.003,  -0.700)  ( 0.13,  0.00, 13.23)
164:     vdw     ( -3.152,  -1.167,  -0.567)  ( -3.152,  -1.167,  -0.567)  ( 0.00,  0.00,  0.00)
164:     electro (  9.492,  -5.898,   4.971)  (  9.492,  -5.898,   4.971)  ( 0.00,  0.00,  0.00)
164:  4       (  0.068,   0.192,   0.159)  (  0.107,   0.130,  -0.008)  ( 0.27,  1.19,  2.64)
164:     bond    (  5.784,   6.960,  -1.839)  (  5.788,   6.969,  -1.837)  ( 0.07,  0.13,  0.11)
164:     angle   (  0.982, -10.064,   4.762)  (  0.983, -10.062,   4.762)  ( 0.17,  0.02,  0.00)
164:     strbnd  (  2.113,   6.313,  -2.390)  (  2.113,   6.312,  -2.391)  ( 0.01,  0.02,  0.01)
164:     torsion (  0.211,  -0.053,  -0.431)  (  0.211,  -0.052,  -0.430)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.201,   0.426,   1.012)  ( -0.167,   0.355,   0.843)  ( 0.68,  3.05, 16.69)
164:     vdw     ( -0.575,  -5.329,   2.147)  ( -0.575,  -5.329,   2.147)  ( 0.00,  0.00,  0.00)
164:     electro ( -8.246,   1.938,  -3.102)  ( -8.246,   1.938,  -3.102)  ( 0.00,  0.00,  0.00)
164:  5       ( -0.011,  -0.146,  -0.052)  ( -0.021,  -0.112,   0.008)  ( 0.01,  0.49,  0.32)
164:     bond    (  0.169,   6.053,  -2.652)  (  0.169,   6.060,  -2.651)  ( 0.00,  0.13,  0.06)
164:     angle   ( -0.570,  -0.029,  -0.102)  ( -0.569,  -0.029,  -0.102)  ( 0.04,  0.00,  0.00)
164:     strbnd  ( -0.449,  -0.737,   0.244)  ( -0.449,  -0.737,   0.244)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.351,  -0.798,  -1.802)  (  0.351,  -0.798,  -1.802)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.063,  -0.144,  -0.325)  (  0.052,  -0.118,  -0.265)  ( 0.07,  0.38,  1.92)
164:     vdw     ( -5.042,  -4.784,   2.331)  ( -5.041,  -4.784,   2.331)  ( 0.00,  0.00,  0.00)
164:     electro (  5.466,   0.293,   2.253)  (  5.466,   0.293,   2.253)  ( 0.00,  0.00,  0.00)
164:  6       (  0.048,  -0.085,  -0.062)  (  0.044,  -0.054,   0.004)  ( 0.02,  0.27,  0.41)
164:     bond    ( -0.057,   4.697,  -1.723)  ( -0.052,   4.701,  -1.723)  ( 0.03,  0.10,  0.04)
164:     angle   (  6.722,   9.815,  -3.104)  (  6.724,   9.816,  -3.104)  ( 0.03,  0.02,  0.00)
164:     strbnd  ( -8.096,  -2.087,  -0.459)  ( -8.096,  -2.087,  -0.459)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.110,   0.259,   0.519)  ( -0.110,   0.259,   0.520)  ( 0.00,  0.00,  0.06)
164:     oop     (  0.071,  -0.161,  -0.404)  (  0.060,  -0.136,  -0.340)  ( 0.08,  0.40,  2.58)
164:     vdw     (  1.049, -12.118,   4.931)  (  1.049, -12.118,   4.931)  ( 0.03,  0.00,  0.00)
164:     electro (  0.469,  -0.490,   0.178)  (  0.469,  -0.490,   0.178)  ( 0.00,  0.00,  0.00)
164:  7       (  0.011,   0.004,  -0.004)  (  0.016,   0.016,   0.020)  ( 0.01,  0.00,  0.01)
164:     bond    (  3.349,  -0.633,   0.565)  (  3.354,  -0.629,   0.566)  ( 0.16,  0.29,  0.05)
164:     angle   ( -2.010,  -5.848,   0.374)  ( -2.008,  -5.846,   0.374)  ( 0.11,  0.04,  0.01)
164:     strbnd  ( -0.379,  -1.736,   0.181)  ( -0.380,  -1.737,   0.181)  ( 0.03,  0.03,  0.00)
164:     torsion ( -0.325,   0.273,   1.507)  ( -0.325,   0.273,   1.508)  ( 0.00,  0.00,  0.09)
164:     oop     (  0.017,  -0.034,  -0.134)  (  0.015,  -0.028,  -0.112)  ( 0.00,  0.02,  0.29)
164:     vdw     ( -0.926,   8.721,  -2.733)  ( -0.925,   8.721,  -2.733)  ( 0.03,  0.00,  0.00)
164:     electro (  0.284,  -0.738,   0.237)  (  0.284,  -0.738,   0.237)  ( 0.00,  0.00,  0.00)
164:  8       ( -0.038,  -0.007,  -0.024)  ( -0.033,   0.006,  -0.005)  ( 0.02,  0.01,  0.05)
164:     bond    ( -2.335,  12.424,  -4.470)  ( -2.330,  12.429,  -4.470)  ( 0.23,  0.04,  0.02)
164:     angle   ( -1.627,  -0.904,   0.021)  ( -1.626,  -0.902,   0.021)  ( 0.10,  0.16,  0.00)
164:     strbnd  ( -5.052,  -1.205,  -0.263)  ( -5.052,  -1.206,  -0.263)  ( 0.00,  0.01,  0.00)
164:     torsion ( -0.060,   0.134,   0.425)  ( -0.060,   0.134,   0.426)  ( 0.00,  0.00,  0.05)
164:     oop     (  0.013,  -0.035,  -0.105)  (  0.011,  -0.030,  -0.088)  ( 0.00,  0.02,  0.18)
164:     vdw     (  6.553, -10.647,   4.170)  (  6.553, -10.647,   4.170)  ( 0.00,  0.00,  0.00)
164:     electro (  2.471,   0.227,   0.198)  (  2.471,   0.227,   0.198)  ( 0.00,  0.00,  0.00)
164:  9       (  0.068,   0.165,   0.082)  (  0.096,   0.132,  -0.033)  ( 0.19,  0.54,  0.94)
164:     bond    (  7.584,  -6.522,   1.280)  (  7.590,  -6.517,   1.281)  ( 0.08,  0.07,  0.06)
164:     angle   ( -6.868,  -3.074,   6.963)  ( -6.866,  -3.072,   6.964)  ( 0.03,  0.07,  0.01)
164:     strbnd  ( -1.384,   3.697,  -1.135)  ( -1.385,   3.696,  -1.136)  ( 0.05,  0.02,  0.01)
164:     torsion (  0.914,  -1.383,  -5.636)  (  0.914,  -1.383,  -5.635)  ( 0.00,  0.01,  0.01)
164:     oop     ( -0.133,   0.235,   0.708)  ( -0.112,   0.195,   0.591)  ( 0.28,  0.92,  8.29)
164:     vdw     ( -1.168,   4.392,  -3.048)  ( -1.168,   4.393,  -3.048)  ( 0.00,  0.00,  0.00)
164:     electro (  1.123,   2.820,   0.950)  (  1.123,   2.820,   0.950)  ( 0.00,  0.00,  0.00)
164: 10       ( -0.080,  -0.040,  -0.026)  ( -0.075,  -0.026,  -0.009)  ( 0.04,  0.06,  0.05)
164:     bond    (  2.250, -21.552,   7.812)  (  2.255, -21.547,   7.813)  ( 0.22,  0.02,  0.01)
164:     angle   (  0.157,  10.838,  -3.791)  (  0.158,  10.840,  -3.791)  ( 0.02,  0.02,  0.01)
164:     strbnd  ( -4.774,   3.240,  -1.394)  ( -4.774,   3.239,  -1.394)  ( 0.00,  0.01,  0.00)
164:     torsion ( -0.412,   1.059,   3.327)  ( -0.412,   1.059,   3.328)  ( 0.00,  0.02,  0.04)
164:     oop     (  0.001,  -0.020,  -0.019)  ( -0.000,  -0.013,  -0.004)  ( 0.00,  0.01,  0.03)
164:     vdw     (  1.632,   4.936,  -5.898)  (  1.632,   4.937,  -5.898)  ( 0.01,  0.01,  0.00)
164:     electro (  1.066,   1.459,  -0.063)  (  1.066,   1.459,  -0.063)  ( 0.00,  0.00,  0.00)
164: 11       (  0.070,  -0.162,  -0.073)  (  0.027,  -0.066,   0.009)  ( 0.31,  1.57,  0.61)
164:     bond    (-16.382,  -5.258,  -0.908)  (-16.377,  -5.253,  -0.907)  ( 0.03,  0.09,  0.07)
164:     angle   (-11.115,   1.090,   2.569)  (-11.112,   1.092,   2.569)  ( 0.02,  0.19,  0.01)
164:     strbnd  ( 22.133,   1.950,   2.757)  ( 22.132,   1.949,   2.757)  ( 0.00,  0.03,  0.00)
164:     torsion ( -0.093,   0.026,  -1.627)  ( -0.093,   0.026,  -1.626)  ( 0.00,  0.00,  0.06)
164:     oop     (  0.396,  -0.643,  -0.208)  (  0.346,  -0.553,  -0.127)  ( 2.00,  5.78,  1.67)
164:     vdw     (  4.671,   2.284,  -2.768)  (  4.672,   2.284,  -2.768)  ( 0.00,  0.00,  0.00)
164:     electro (  0.459,   0.390,   0.111)  (  0.459,   0.390,   0.111)  ( 0.00,  0.00,  0.00)
164: 12       ( -0.002,   0.033,   0.022)  (  0.002,   0.028,  -0.000)  ( 0.00,  0.02,  0.05)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xg5_ec2.sdf
167:     angle   (-10.320,  -4.719,   0.955)  (-10.319,  -4.719,   0.956)  ( 0.01,  0.00,  0.04)
167:     strbnd  (  0.722,  -0.493,  -0.668)  (  0.722,  -0.493,  -0.668)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.917,   0.500,   0.064)  (  0.917,   0.500,   0.064)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.240,   1.405,   1.413)  ( -0.240,   1.405,   1.413)  ( 0.00,  0.00,  0.00)
167:     electro ( 10.749,  -0.275,   0.171)  ( 10.749,  -0.275,   0.171)  ( 0.00,  0.00,  0.00)
167: ok 4 # gradients 
167: ok 5 # energy 
167: ----------------------------------------------------------------------------------------
167:                                                                                         
167:   VALIDATE GRADIENTS : fiybiy.xyz
167:                                                                                         
167:                                                                                         
167: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
167: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xg5_ec5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xh5_x37.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xhm_k26.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xhr_c0p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xi4_aft.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xir_00j.sdf
167:  1       ( -0.037,   0.000,  -0.051)  ( -0.039,   0.006,  -0.047)  ( 0.01,  0.00,  0.02)
167:     bond    (  7.810,  -1.840,   7.980)  (  7.815,  -1.832,   7.984)  ( 0.05,  0.48,  0.05)
167:     angle   ( -4.687,  -2.600,  -7.659)  ( -4.685,  -2.598,  -7.656)  ( 0.05,  0.09,  0.03)
167:     strbnd  (  1.520,  -7.648,  19.637)  (  1.519,  -7.649,  19.636)  ( 0.05,  0.01,  0.00)
167:     torsion (  0.281,  -0.182,  -0.226)  (  0.281,  -0.182,  -0.226)  ( 0.00,  0.00,  0.00)
167:     oop     (  0.047,   0.028,   0.008)  (  0.040,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
167:     vdw     ( -0.861,  -7.381,   0.991)  ( -0.861,  -7.381,   0.991)  ( 0.00,  0.00,  0.01)
167:     electro ( -4.147,  19.624, -20.782)  ( -4.147,  19.624, -20.782)  ( 0.00,  0.00,  0.00)
167:  2       (  0.015,  -0.021,  -0.013)  (  0.016,  -0.015,  -0.011)  ( 0.00,  0.01,  0.00)
167:     bond    (  0.188,  -1.235,  -0.576)  (  0.188,  -1.229,  -0.574)  ( 0.00,  0.51,  0.08)
167:     angle   (  2.833,  -2.246,   5.734)  (  2.833,  -2.246,   5.734)  ( 0.02,  0.01,  0.01)
167:     strbnd  (  0.058,  -0.206,   0.531)  (  0.058,  -0.206,   0.531)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.582,  -0.145,   0.120)  ( -0.582,  -0.145,   0.120)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -2.490,  -0.763,  -6.600)  ( -2.490,  -0.763,  -6.600)  ( 0.00,  0.00,  0.00)
167:     electro (  0.009,   4.575,   0.778)  (  0.009,   4.575,   0.778)  ( 0.00,  0.00,  0.00)
167:  3       ( -0.083,   0.019,  -0.119)  ( -0.123,   0.094,  -0.069)  ( 0.34,  0.14,  0.60)
167:     bond    ( -1.055,   0.134,  -1.295)  ( -1.051,   0.134,  -1.289)  ( 0.35,  0.00,  0.43)
167:     angle   ( -0.395,  -0.549,   0.265)  ( -0.395,  -0.548,   0.265)  ( 0.02,  0.03,  0.01)
167:     strbnd  ( -4.612,   1.446,  -7.083)  ( -4.612,   1.446,  -7.083)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.187,   0.312,   0.185)  ( -0.187,   0.312,   0.185)  ( 0.00,  0.00,  0.00)
167:     oop     (  0.225,  -0.371,  -0.222)  (  0.180,  -0.296,  -0.178)  ( 1.01,  2.75,  0.99)
167:     vdw     ( -0.123,   0.138,  -0.190)  ( -0.123,   0.138,  -0.190)  ( 0.00,  0.00,  0.00)
167:     electro (  6.064,  -1.092,   8.221)  (  6.064,  -1.092,   8.221)  ( 0.00,  0.00,  0.00)
167:  4       ( -0.072,  -0.017,  -0.030)  ( -0.094,   0.028,  -0.000)  ( 0.16,  0.08,  0.09)
167:     bond    ( -0.836,  -8.517,  13.382)  ( -0.832,  -8.516,  13.384)  ( 0.33,  0.01,  0.02)
167:     angle   (  7.130,   8.296, -11.537)  (  7.131,   8.297, -11.535)  ( 0.00,  0.01,  0.01)
167:     strbnd  ( -2.982,  -0.215,  -2.921)  ( -2.982,  -0.215,  -2.921)  ( 0.00,  0.00,  0.01)
167:     torsion (  0.423,   0.846,  -0.211)  (  0.423,   0.846,  -0.211)  ( 0.00,  0.01,  0.00)
167:     oop     (  0.186,  -0.302,  -0.180)  (  0.159,  -0.259,  -0.154)  ( 0.49,  1.29,  0.46)
167:     vdw     ( -2.535,   5.528,  -3.997)  ( -2.535,   5.528,  -3.997)  ( 0.00,  0.00,  0.00)
167:     electro ( -1.458,  -5.655,   5.433)  ( -1.458,  -5.655,   5.433)  ( 0.00,  0.00,  0.00)
167:  5       (  0.010,   0.036,  -0.046)  ( -0.018,   0.093,  -0.011)  ( 0.03,  0.20,  0.16)
167:     bond    ( -5.684,   0.935,   3.018)  ( -5.681,   0.938,   3.021)  ( 0.04,  0.31,  0.10)
167:     angle   ( 19.037,   0.921,   3.045)  ( 19.039,   0.921,   3.046)  ( 0.01,  0.05,  0.03)
167:     strbnd  ( -4.528,   0.738,   3.763)  ( -4.528,   0.738,   3.763)  ( 0.01,  0.01,  0.00)
167:     torsion (  0.060,   0.659,   0.624)  (  0.060,   0.659,   0.624)  ( 0.00,  0.00,  0.00)
167:     oop     (  0.189,  -0.311,  -0.184)  (  0.157,  -0.258,  -0.153)  ( 0.60,  1.64,  0.57)
167:     vdw     (-16.349, -10.170, -11.577)  (-16.349, -10.170, -11.576)  ( 0.00,  0.00,  0.00)
167:     electro (  7.284,   7.264,   1.264)  (  7.284,   7.264,   1.264)  ( 0.00,  0.00,  0.00)
167:  6       ( -0.067,   0.088,   0.083)  ( -0.052,   0.101,   0.090)  ( 0.10,  0.11,  0.06)
167:     bond    ( -0.701,  -2.222,  11.603)  ( -0.699,  -2.218,  11.607)  ( 0.11,  0.18,  0.03)
167:     angle   ( -0.364,  -2.925,  13.817)  ( -0.363,  -2.923,  13.819)  ( 0.02,  0.05,  0.01)
167:     strbnd  (  0.639,   2.955, -12.934)  (  0.639,   2.955, -12.935)  ( 0.00,  0.00,  0.00)
167:     torsion (  2.329,   1.562,   0.380)  (  2.330,   1.562,   0.380)  ( 0.03,  0.02,  0.00)
167:     oop     ( -0.074,  -0.043,  -0.014)  ( -0.062,  -0.036,  -0.012)  ( 0.09,  0.03,  0.00)
167:     vdw     ( -1.895,   0.720, -12.746)  ( -1.895,   0.720, -12.746)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.002,   0.041,  -0.023)  ( -0.002,   0.041,  -0.023)  ( 0.00,  0.00,  0.00)
167:  7       (  0.013,  -0.054,   0.044)  (  0.021,  -0.046,   0.052)  ( 0.01,  0.04,  0.03)
167:     bond    ( -7.170,  10.526,   6.570)  ( -7.169,  10.530,   6.576)  ( 0.02,  0.04,  0.08)
167:     angle   (  2.588,  -3.055,  -4.852)  (  2.588,  -3.053,  -4.850)  ( 0.02,  0.04,  0.03)
167:     strbnd  ( -1.496,   3.392,  -2.547)  ( -1.496,   3.392,  -2.547)  ( 0.00,  0.00,  0.01)
167:     torsion ( -1.418,  -0.816,  -0.200)  ( -1.417,  -0.816,  -0.200)  ( 0.07,  0.03,  0.00)
167:     oop     ( -0.027,  -0.014,  -0.002)  ( -0.022,  -0.012,  -0.002)  ( 0.01,  0.00,  0.00)
167:     vdw     (  6.692,  -9.975,  -2.511)  (  6.692,  -9.975,  -2.511)  ( 0.00,  0.00,  0.01)
167:     electro (  0.844,  -0.112,   3.586)  (  0.844,  -0.112,   3.586)  ( 0.00,  0.00,  0.00)
167:  8       ( -0.029,   0.068,  -0.054)  ( -0.019,   0.078,  -0.046)  ( 0.03,  0.07,  0.04)
167:     bond    ( -5.733,  10.916,  -5.111)  ( -5.731,  10.920,  -5.106)  ( 0.03,  0.04,  0.10)
167:     angle   ( -0.069,   0.148,  -0.147)  ( -0.069,   0.149,  -0.145)  ( 0.00,  0.02,  0.02)
167:     strbnd  (  0.254,  -0.317,  -0.321)  (  0.254,  -0.317,  -0.321)  ( 0.00,  0.00,  0.01)
167:     torsion ( -0.506,  -0.295,  -0.082)  ( -0.505,  -0.294,  -0.082)  ( 0.05,  0.01,  0.00)
167:     oop     ( -0.039,  -0.023,  -0.006)  ( -0.033,  -0.019,  -0.005)  ( 0.03,  0.01,  0.00)
167:     vdw     (  5.846, -11.080,   5.290)  (  5.846, -11.080,   5.290)  ( 0.00,  0.00,  0.00)
167:     electro (  0.218,   0.720,   0.323)  (  0.218,   0.720,   0.323)  ( 0.00,  0.00,  0.00)
167:  9       ( -0.014,   0.016,  -0.063)  (  0.004,   0.030,  -0.053)  ( 0.02,  0.02,  0.06)
167:     bond    (  0.583,   2.170, -13.287)  (  0.585,   2.174, -13.282)  ( 0.09,  0.18,  0.04)
167:     angle   (  0.007,  -0.113,   0.340)  (  0.007,  -0.112,   0.341)  ( 0.00,  0.01,  0.06)
167:     strbnd  (  0.032,  -0.099,   0.170)  (  0.032,  -0.099,   0.170)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.193,  -0.115,  -0.023)  ( -0.192,  -0.114,  -0.023)  ( 0.02,  0.00,  0.00)
167:     oop     ( -0.086,  -0.051,  -0.013)  ( -0.072,  -0.043,  -0.011)  ( 0.13,  0.04,  0.00)
167:     vdw     ( -0.816,  -2.222,  14.046)  ( -0.816,  -2.222,  14.046)  ( 0.00,  0.00,  0.00)
167:     electro (  0.459,   0.446,  -1.294)  (  0.459,   0.446,  -1.294)  ( 0.00,  0.00,  0.00)
167: 10       (  0.012,  -0.026,   0.043)  (  0.023,  -0.017,   0.051)  ( 0.01,  0.03,  0.03)
167:     bond    (  6.512,  -8.973,  -7.628)  (  6.514,  -8.969,  -7.623)  ( 0.03,  0.05,  0.07)
167:     angle   (  0.058,  -0.079,  -0.055)  (  0.058,  -0.078,  -0.054)  ( 0.00,  0.01,  0.01)
167:     strbnd  ( -0.185,   0.392,  -0.179)  ( -0.185,   0.392,  -0.179)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.572,  -0.345,  -0.095)  ( -0.571,  -0.345,  -0.095)  ( 0.05,  0.01,  0.00)
167:     oop     ( -0.040,  -0.024,  -0.007)  ( -0.032,  -0.020,  -0.005)  ( 0.03,  0.01,  0.00)
167:     vdw     ( -6.571,   9.136,   7.766)  ( -6.571,   9.136,   7.766)  ( 0.00,  0.00,  0.00)
167:     electro (  0.809,  -0.133,   0.241)  (  0.809,  -0.133,   0.241)  ( 0.00,  0.00,  0.00)
167: 11       (  0.067,  -0.113,  -0.076)  (  0.083,  -0.099,  -0.068)  ( 0.11,  0.16,  0.06)
167:     bond    (  6.849, -12.437,   4.398)  (  6.851, -12.433,   4.404)  ( 0.02,  0.03,  0.12)
167:     angle   ( -2.678,   5.816,  -4.951)  ( -2.677,   5.818,  -4.949)  ( 0.02,  0.02,  0.03)
167:     strbnd  (  2.697,  -3.157,  -4.284)  (  2.697,  -3.158,  -4.284)  ( 0.00,  0.00,  0.00)
167:     torsion ( -1.703,  -1.064,  -0.247)  ( -1.702,  -1.063,  -0.247)  ( 0.06,  0.03,  0.00)
167:     oop     ( -0.078,  -0.050,  -0.010)  ( -0.065,  -0.042,  -0.009)  ( 0.10,  0.04,  0.00)
167:     vdw     ( -5.728,  10.270,   1.476)  ( -5.728,  10.270,   1.476)  ( 0.00,  0.00,  0.01)
167:     electro (  0.708,   0.510,   3.541)  (  0.708,   0.510,   3.542)  ( 0.00,  0.00,  0.00)
167: 12       (  0.104,  -0.040,   0.163)  (  0.215,  -0.206,   0.071)  ( 1.16,  0.66,  1.49)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xj1_xj1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xj2_985.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xj7_gc2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xjx_xjx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xk3_xk3.sdf
164:     bond    ( -0.083,  -1.551,   0.585)  ( -0.083,  -1.548,   0.586)  ( 0.00,  0.21,  0.03)
164:     angle   ( -2.409,   0.039,  -0.237)  ( -2.408,   0.039,  -0.237)  ( 0.03,  0.00,  0.00)
164:     strbnd  (  0.317,   2.635,  -1.018)  (  0.317,   2.635,  -1.018)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.335,   0.971,   2.518)  ( -0.335,   0.971,   2.518)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.020,   0.060,   0.155)  ( -0.017,   0.051,   0.132)  ( 0.01,  0.05,  0.36)
164:     vdw     (  1.947,  -0.339,  -2.146)  (  1.947,  -0.339,  -2.146)  ( 0.01,  0.00,  0.00)
164:     electro (  0.582,  -1.781,   0.164)  (  0.582,  -1.781,   0.164)  ( 0.00,  0.00,  0.00)
164: 13       ( -0.131,   0.117,   0.103)  ( -0.105,   0.076,  -0.037)  ( 0.34,  0.47,  1.45)
164:     bond    (-10.578,  16.134,  -6.570)  (-10.572,  16.139,  -6.569)  ( 0.06,  0.03,  0.01)
164:     angle   (  3.774,  -9.877,   3.575)  (  3.776,  -9.875,   3.575)  ( 0.06,  0.02,  0.00)
164:     strbnd  (  6.607,   8.014,  -1.786)  (  6.607,   8.014,  -1.786)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.139,  -0.606,  -1.888)  (  0.139,  -0.606,  -1.887)  ( 0.00,  0.01,  0.06)
164:     oop     ( -0.104,   0.267,   0.810)  ( -0.086,   0.220,   0.668)  ( 0.18,  1.25, 11.54)
164:     vdw     (  2.473, -10.532,   5.124)  (  2.473, -10.532,   5.124)  ( 0.01,  0.00,  0.00)
164:     electro ( -2.443,  -3.284,   0.838)  ( -2.443,  -3.284,   0.838)  ( 0.00,  0.00,  0.00)
164: 14       ( -0.003,   0.005,   0.001)  ( -0.002,   0.008,  -0.001)  ( 0.00,  0.00,  0.00)
164:     bond    (  0.027,   1.931,  -0.640)  (  0.027,   1.934,  -0.640)  ( 0.00,  0.18,  0.02)
164:     angle   ( -2.454,  -0.061,  -0.290)  ( -2.454,  -0.061,  -0.290)  ( 0.03,  0.00,  0.00)
164:     strbnd  ( -0.157,  -0.599,   0.177)  ( -0.157,  -0.599,   0.177)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.008,  -0.021,  -0.062)  (  0.008,  -0.021,  -0.062)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.002,   0.005,   0.014)  ( -0.001,   0.004,   0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.894,  -1.054,   0.744)  (  3.894,  -1.054,   0.744)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.319,  -0.195,   0.058)  ( -1.319,  -0.195,   0.058)  ( 0.00,  0.00,  0.00)
164: 15       (  0.084,  -0.049,   0.001)  (  0.085,  -0.040,   0.023)  ( 0.00,  0.04,  0.00)
164:     bond    (  0.221,  -0.141,   0.077)  (  0.224,  -0.139,   0.077)  ( 0.07,  0.02,  0.00)
164:     angle   (  4.781,   6.809,  -1.605)  (  4.781,   6.810,  -1.605)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -0.896,   1.110,  -0.480)  ( -0.896,   1.110,  -0.480)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.065,  -0.159,  -0.479)  (  0.065,  -0.159,  -0.479)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.019,  -0.046,  -0.139)  (  0.016,  -0.039,  -0.117)  ( 0.01,  0.03,  0.30)
164:     vdw     ( -4.637,  -7.161,   2.713)  ( -4.637,  -7.161,   2.713)  ( 0.00,  0.00,  0.00)
164:     electro (  0.531,  -0.461,  -0.087)  (  0.531,  -0.461,  -0.087)  ( 0.00,  0.00,  0.00)
164: 16       ( -0.036,   0.120,  -0.185)  (  0.001,   0.011,   0.028)  ( 0.13,  1.30,  3.96)
164:     bond    ( 11.932,   3.001,  15.852)  ( 11.937,   3.005,  15.854)  ( 0.04,  0.13,  0.01)
164:     angle   ( 23.478,  14.321,  -5.626)  ( 23.480,  14.322,  -5.625)  ( 0.01,  0.01,  0.02)
164:     strbnd  (-17.338, -10.628,  -0.306)  (-17.339, -10.629,  -0.306)  ( 0.01,  0.01,  0.01)
164:     torsion (  2.457,  -3.717,  -2.036)  (  2.457,  -3.717,  -2.036)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.175,   1.180,  -2.156)  ( -0.144,   1.066,  -1.945)  ( 0.54,  9.63,  9.80)
164:     vdw     ( -3.584,  -3.576,   0.274)  ( -3.584,  -3.576,   0.274)  ( 0.00,  0.00,  0.00)
164:     electro (-16.806,  -0.461,  -6.188)  (-16.806,  -0.461,  -6.188)  ( 0.00,  0.00,  0.00)
164: 17       ( -0.042,  -0.053,   0.059)  ( -0.045,  -0.033,   0.101)  ( 0.01,  0.11,  0.25)
164:     bond    ( -1.611,  -0.017,   3.957)  ( -1.609,  -0.012,   3.962)  ( 0.12,  0.01,  0.12)
164:     angle   (  6.180,   1.067,  -5.100)  (  6.182,   1.069,  -5.098)  ( 0.03,  0.17,  0.04)
164:     strbnd  (  0.100,  -7.392,   3.328)  (  0.099,  -7.392,   3.327)  ( 0.00,  0.01,  0.03)
164:     torsion (  0.098,  -0.377,   0.788)  (  0.098,  -0.377,   0.788)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.041,  -0.083,  -0.211)  (  0.034,  -0.069,  -0.175)  ( 0.03,  0.12,  0.75)
164:     vdw     ( -4.964,   6.311,  -2.568)  ( -4.963,   6.311,  -2.568)  ( 0.00,  0.00,  0.00)
164:     electro (  0.114,   0.437,  -0.136)  (  0.114,   0.437,  -0.136)  ( 0.00,  0.00,  0.00)
164: 18       (  0.022,  -0.013,   0.018)  (  0.025,  -0.012,   0.017)  ( 0.01,  0.00,  0.00)
164:     bond    (  2.427,  -1.578,   1.180)  (  2.429,  -1.577,   1.181)  ( 0.09,  0.06,  0.04)
164:     angle   (  0.938,   1.300,  -0.193)  (  0.938,   1.300,  -0.193)  ( 0.02,  0.03,  0.00)
164:     strbnd  (  0.253,   0.443,  -0.086)  (  0.253,   0.443,  -0.086)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.194,   0.249,   0.730)  ( -0.194,   0.249,   0.731)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.004,   0.005,   0.016)  ( -0.004,   0.005,   0.014)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.726,   0.545,  -1.869)  ( -0.726,   0.545,  -1.869)  ( 0.01,  0.01,  0.00)
164:     electro ( -2.672,  -0.977,   0.240)  ( -2.672,  -0.977,   0.240)  ( 0.00,  0.00,  0.00)
164: 19       (  0.012,  -0.001,   0.074)  (  0.011,   0.052,   0.016)  ( 0.00,  0.01,  0.42)
164:     bond    ( 14.557,  -7.075, -16.796)  ( 14.561,  -7.071, -16.792)  ( 0.03,  0.06,  0.03)
164:     angle   ( -6.287,   1.336,   9.984)  ( -6.284,   1.338,   9.986)  ( 0.04,  0.15,  0.02)
164:     strbnd  ( -1.105,  -2.672,   1.853)  ( -1.106,  -2.672,   1.852)  ( 0.07,  0.04,  0.04)
164:     torsion ( -2.492,   2.882,  -3.676)  ( -2.492,   2.882,  -3.676)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.033,  -0.539,   0.714)  (  0.027,  -0.492,   0.651)  ( 0.02,  2.58,  4.51)
164:     vdw     ( -0.883,   6.505,   5.249)  ( -0.883,   6.505,   5.250)  ( 0.01,  0.00,  0.00)
164:     electro ( -3.811,  -0.439,   2.744)  ( -3.811,  -0.439,   2.744)  ( 0.00,  0.00,  0.00)
164: 20       ( -0.013,  -0.015,   0.097)  (  0.002,   0.007,  -0.001)  ( 0.02,  0.03,  0.95)
164:     bond    ( -3.175,  21.247,  -4.289)  ( -3.171,  21.251,  -4.285)  ( 0.12,  0.02,  0.11)
164:     angle   ( -1.211, -12.477,   2.194)  ( -1.209, -12.475,   2.196)  ( 0.17,  0.02,  0.08)
164:     strbnd  ( -3.415,  -1.229,   2.715)  ( -3.416,  -1.230,   2.715)  ( 0.04,  0.07,  0.01)
164:     torsion ( -0.125,   0.194,   3.424)  ( -0.125,   0.195,   3.424)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.155,  -0.246,   0.892)  ( -0.144,  -0.229,   0.787)  ( 0.17,  0.40,  9.32)
164:     vdw     (  9.608,  -0.387,  -5.167)  (  9.608,  -0.387,  -5.167)  ( 0.00,  0.01,  0.00)
164:     electro ( -1.539,  -7.118,   0.328)  ( -1.539,  -7.118,   0.328)  ( 0.00,  0.00,  0.00)
164: 21       ( -0.002,  -0.008,  -0.022)  (  0.000,  -0.007,  -0.021)  ( 0.00,  0.00,  0.00)
164:     bond    (  1.613,  -1.085,   0.142)  (  1.615,  -1.084,   0.142)  ( 0.14,  0.10,  0.00)
164:     angle   ( -3.259,  -5.157,  -2.297)  ( -3.259,  -5.157,  -2.296)  ( 0.01,  0.01,  0.02)
164:     strbnd  ( -0.614,   0.250,  -1.435)  ( -0.614,   0.250,  -1.435)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.085,   0.141,   0.107)  (  0.085,   0.141,   0.107)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.173,   5.843,   3.461)  (  2.173,   5.843,   3.461)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 22       (  0.001,   0.003,  -0.029)  (  0.002,   0.004,  -0.025)  ( 0.00,  0.00,  0.01)
164:     bond    ( -0.285,   1.036,  -3.315)  ( -0.285,   1.036,  -3.312)  ( 0.00,  0.03,  0.09)
164:     angle   (  0.181,  -1.068,  -0.350)  (  0.182,  -1.067,  -0.350)  ( 0.01,  0.05,  0.00)
164:     strbnd  (  0.973,  -1.118,   0.103)  (  0.973,  -1.118,   0.103)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.351,  -0.744,  -0.263)  (  0.351,  -0.744,  -0.263)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.220,   1.896,   3.796)  ( -1.220,   1.896,   3.796)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 23       (  0.003,  -0.104,  -0.010)  (  0.007,  -0.098,  -0.004)  ( 0.00,  0.06,  0.01)
164:     bond    ( -3.127, -17.812,   3.460)  ( -3.123, -17.808,   3.465)  ( 0.13,  0.02,  0.13)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xk4_ol2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xk6_eqh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xk7_30e.sdf
167:     bond    ( 13.123,   9.974,  -3.258)  ( 13.130,   9.977,  -3.250)  ( 0.05,  0.02,  0.25)
167:     angle   (-14.649,   0.422,   3.858)  (-14.647,   0.423,   3.860)  ( 0.02,  0.06,  0.05)
167:     strbnd  (  6.144,   3.136,   1.986)  (  6.144,   3.135,   1.985)  ( 0.01,  0.02,  0.05)
167:     torsion (  0.114,  -1.966,  -1.386)  (  0.114,  -1.966,  -1.386)  ( 0.00,  0.01,  0.00)
167:     oop     ( -0.600,   0.982,   0.585)  ( -0.496,   0.813,   0.485)  ( 6.21, 16.58,  5.91)
167:     vdw     ( -6.672,   1.688,  -4.514)  ( -6.672,   1.688,  -4.514)  ( 0.00,  0.00,  0.00)
167:     electro (  2.643, -14.275,   2.893)  (  2.643, -14.275,   2.893)  ( 0.00,  0.00,  0.00)
167: 13       (  0.040,  -0.004,   0.029)  (  0.046,   0.002,   0.035)  ( 0.02,  0.00,  0.02)
167:     bond    ( -2.991,   1.047, -11.722)  ( -2.987,   1.051, -11.718)  ( 0.13,  0.39,  0.04)
167:     angle   ( -2.018,   2.285,   8.597)  ( -2.016,   2.287,   8.599)  ( 0.11,  0.09,  0.02)
167:     strbnd  (  2.619,  -2.990,   4.758)  (  2.618,  -2.991,   4.758)  ( 0.04,  0.03,  0.02)
167:     torsion ( -0.041,  -0.092,   0.175)  ( -0.041,  -0.092,   0.175)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( 14.014,   8.530,   0.129)  ( 14.014,   8.530,   0.129)  ( 0.00,  0.00,  0.00)
167:     electro (-11.542,  -8.783,  -1.908)  (-11.542,  -8.783,  -1.908)  ( 0.00,  0.00,  0.00)
167: 14       (  0.024,  -0.010,   0.034)  (  0.029,  -0.005,   0.040)  ( 0.01,  0.00,  0.02)
167:     bond    ( -4.655,   3.822,  -2.177)  ( -4.651,   3.826,  -2.172)  ( 0.08,  0.10,  0.21)
167:     angle   ( -4.059,  -1.702,  -4.245)  ( -4.057,  -1.700,  -4.243)  ( 0.05,  0.12,  0.05)
167:     strbnd  (  2.089,   1.563,   0.776)  (  2.088,   1.562,   0.776)  ( 0.05,  0.07,  0.03)
167:     torsion (  0.938,   1.048,   1.864)  (  0.938,   1.048,   1.864)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  3.794,  -3.935,   2.717)  (  3.794,  -3.935,   2.717)  ( 0.00,  0.00,  0.00)
167:     electro (  1.918,  -0.806,   1.098)  (  1.918,  -0.806,   1.098)  ( 0.00,  0.00,  0.00)
167: 15       ( -0.042,  -0.017,   0.014)  ( -0.037,  -0.011,   0.020)  ( 0.02,  0.01,  0.01)
167:     bond    ( -6.167,  -3.752,   0.389)  ( -6.163,  -3.748,   0.393)  ( 0.07,  0.11,  0.18)
167:     angle   (  3.378,   1.344,  -4.652)  (  3.380,   1.345,  -4.650)  ( 0.06,  0.14,  0.04)
167:     strbnd  (  0.915,   0.369,  -0.380)  (  0.914,   0.369,  -0.380)  ( 0.08,  0.02,  0.02)
167:     torsion (  1.467,  -0.659,   4.905)  (  1.467,  -0.659,   4.905)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.366,   2.682,  -0.248)  (  0.366,   2.682,  -0.248)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 16       (  0.001,  -0.001,  -0.009)  ( -0.007,  -0.004,  -0.008)  ( 0.00,  0.00,  0.00)
167:     bond    ( -1.392,   1.999,   1.715)  ( -1.392,   2.000,   1.716)  ( 0.06,  0.08,  0.07)
167:     angle   ( -0.390,   1.079,  -1.575)  ( -0.390,   1.079,  -1.575)  ( 0.00,  0.02,  0.03)
167:     strbnd  (  0.199,  -0.272,  -0.384)  (  0.199,  -0.272,  -0.384)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.947,   0.545,   0.133)  (  0.948,   0.545,   0.133)  ( 0.02,  0.00,  0.00)
167:     oop     (  0.050,   0.029,   0.007)  (  0.041,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
167:     vdw     (  1.566,  -2.362,   2.661)  (  1.566,  -2.362,   2.662)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.979,  -1.018,  -2.566)  ( -0.979,  -1.018,  -2.566)  ( 0.00,  0.00,  0.00)
167: 17       (  0.013,  -0.037,   0.011)  (  0.006,  -0.039,   0.010)  ( 0.01,  0.01,  0.00)
167:     bond    ( -1.079,   2.138,  -1.059)  ( -1.078,   2.140,  -1.059)  ( 0.06,  0.12,  0.06)
167:     angle   (  0.033,  -0.019,  -0.072)  (  0.033,  -0.019,  -0.072)  ( 0.00,  0.00,  0.00)
167:     strbnd  (  0.329,  -0.679,   0.351)  (  0.329,  -0.679,   0.351)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.254,   0.148,   0.041)  (  0.254,   0.148,   0.041)  ( 0.01,  0.00,  0.00)
167:     oop     (  0.051,   0.029,   0.008)  (  0.042,   0.025,   0.007)  ( 0.04,  0.01,  0.00)
167:     vdw     (  0.321,  -0.617,   0.307)  (  0.321,  -0.617,   0.307)  ( 0.00,  0.00,  0.00)
167:     electro (  0.104,  -1.037,   0.435)  (  0.104,  -1.037,   0.435)  ( 0.00,  0.00,  0.00)
167: 18       ( -0.002,  -0.001,   0.010)  ( -0.012,  -0.006,   0.011)  ( 0.00,  0.00,  0.00)
167:     bond    (  0.172,   0.436,  -2.694)  (  0.172,   0.436,  -2.691)  ( 0.00,  0.00,  0.13)
167:     angle   (  0.012,   0.006,   0.002)  (  0.012,   0.006,   0.002)  ( 0.00,  0.00,  0.00)
167:     strbnd  ( -0.076,  -0.152,   0.941)  ( -0.076,  -0.152,   0.941)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.138,   0.082,   0.022)  (  0.138,   0.082,   0.022)  ( 0.00,  0.00,  0.00)
167:     oop     (  0.066,   0.040,   0.011)  (  0.055,   0.033,   0.009)  ( 0.07,  0.03,  0.00)
167:     vdw     ( -0.039,  -0.117,   0.755)  ( -0.039,  -0.117,   0.755)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.275,  -0.295,   0.974)  ( -0.275,  -0.295,   0.974)  ( 0.00,  0.00,  0.00)
167: 19       ( -0.010,   0.002,   0.007)  ( -0.018,  -0.002,   0.007)  ( 0.01,  0.00,  0.00)
167:     bond    (  1.319,  -1.740,  -1.572)  (  1.320,  -1.739,  -1.570)  ( 0.07,  0.09,  0.08)
167:     angle   ( -0.010,   0.055,  -0.071)  ( -0.010,   0.056,  -0.070)  ( 0.00,  0.00,  0.00)
167:     strbnd  ( -0.440,   0.556,   0.528)  ( -0.440,   0.556,   0.528)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.286,   0.174,   0.048)  (  0.286,   0.174,   0.048)  ( 0.01,  0.00,  0.00)
167:     oop     (  0.057,   0.035,   0.009)  (  0.048,   0.029,   0.008)  ( 0.05,  0.02,  0.00)
167:     vdw     ( -0.364,   0.499,   0.452)  ( -0.364,   0.499,   0.452)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.858,   0.422,   0.612)  ( -0.858,   0.422,   0.612)  ( 0.00,  0.00,  0.00)
167: 20       ( -0.011,   0.019,  -0.003)  ( -0.022,   0.014,  -0.004)  ( 0.01,  0.01,  0.00)
167:     bond    (  1.065,  -1.923,   0.931)  (  1.066,  -1.921,   0.932)  ( 0.07,  0.13,  0.05)
167:     angle   (  0.816,  -0.719,  -2.417)  (  0.816,  -0.719,  -2.416)  ( 0.01,  0.00,  0.02)
167:     strbnd  ( -0.179,   0.321,  -0.263)  ( -0.179,   0.321,  -0.263)  ( 0.00,  0.00,  0.00)
167:     torsion (  1.157,   0.723,   0.167)  (  1.157,   0.723,   0.167)  ( 0.02,  0.01,  0.00)
167:     oop     (  0.072,   0.045,   0.011)  (  0.060,   0.037,   0.009)  ( 0.09,  0.03,  0.00)
167:     vdw     ( -1.141,   1.967,   4.393)  ( -1.141,   1.967,   4.393)  ( 0.00,  0.00,  0.00)
167:     electro ( -1.800,  -0.394,  -2.826)  ( -1.800,  -0.394,  -2.826)  ( 0.00,  0.00,  0.00)
167: 21       ( -0.002,  -0.005,  -0.023)  ( -0.001,  -0.004,  -0.021)  ( 0.00,  0.00,  0.01)
167:     bond    (  1.444,  -1.170,  -2.502)  (  1.445,  -1.169,  -2.500)  ( 0.05,  0.04,  0.09)
167:     angle   ( -2.245,  -3.938,   0.544)  ( -2.244,  -3.937,   0.544)  ( 0.02,  0.01,  0.01)
167:     strbnd  ( -0.862,   0.401,  -0.476)  ( -0.862,   0.401,  -0.476)  ( 0.00,  0.00,  0.00)
167:     torsion ( -1.116,  -0.117,  -0.590)  ( -1.116,  -0.117,  -0.590)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  2.776,   4.819,   3.001)  (  2.776,   4.819,   3.001)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 22       ( -0.015,   0.012,  -0.030)  ( -0.014,   0.013,  -0.028)  ( 0.00,  0.00,  0.01)
167:     bond    (  0.154,  -0.044,   0.213)  (  0.155,  -0.044,   0.215)  ( 0.02,  0.00,  0.05)
167:     angle   ( -3.150,   0.346,   2.340)  ( -3.150,   0.346,   2.340)  ( 0.01,  0.02,  0.01)
167:     strbnd  ( -1.019,   0.402,  -1.027)  ( -1.019,   0.402,  -1.027)  ( 0.00,  0.00,  0.00)
167:     torsion (  1.025,  -0.593,  -0.859)  (  1.025,  -0.593,  -0.859)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  2.975,  -0.099,  -0.696)  (  2.975,  -0.099,  -0.696)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 23       ( -0.002,  -0.007,  -0.010)  ( -0.000,  -0.006,  -0.007)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.844,   0.674,   1.498)  ( -0.843,   0.674,   1.500)  ( 0.06,  0.03,  0.15)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xk8_5r1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xk9_xk9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xkc_4vq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xkd_t3m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xke_wi2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xkf_bx1.sdf
167:     angle   (  0.780,   0.980,  -0.002)  (  0.780,   0.980,  -0.002)  ( 0.03,  0.05,  0.00)
167:     strbnd  ( -0.246,   0.126,  -0.182)  ( -0.246,   0.126,  -0.182)  ( 0.00,  0.00,  0.00)
167:     torsion ( -1.955,  -0.263,  -0.980)  ( -1.955,  -0.263,  -0.980)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  2.263,  -1.523,  -0.342)  (  2.263,  -1.523,  -0.342)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 24       (  0.008,  -0.004,  -0.001)  (  0.009,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
167:     bond    (  0.400,  -1.579,   0.234)  (  0.400,  -1.576,   0.235)  ( 0.01,  0.20,  0.00)
167:     angle   ( -0.974,   0.080,   2.199)  ( -0.974,   0.080,   2.199)  ( 0.05,  0.00,  0.02)
167:     strbnd  ( -0.565,   0.621,  -0.074)  ( -0.565,   0.621,  -0.074)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.236,  -0.429,  -2.483)  ( -0.236,  -0.429,  -2.483)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.383,   1.303,   0.122)  (  1.383,   1.303,   0.122)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 25       ( -0.003,   0.003,   0.000)  ( -0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.527,   0.046,  -0.630)  ( -0.526,   0.046,  -0.628)  ( 0.07,  0.00,  0.13)
167:     angle   ( -0.726,  -0.901,   0.541)  ( -0.725,  -0.901,   0.541)  ( 0.02,  0.04,  0.01)
167:     strbnd  ( -0.277,  -0.238,   0.153)  ( -0.277,  -0.238,   0.153)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.187,  -0.339,  -0.181)  (  0.187,  -0.338,  -0.181)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.340,   1.434,   0.118)  (  1.340,   1.434,   0.118)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 26       (  0.006,  -0.002,  -0.020)  (  0.007,  -0.001,  -0.018)  ( 0.00,  0.00,  0.01)
167:     bond    ( -0.838,   0.546,   1.494)  ( -0.837,   0.547,   1.496)  ( 0.06,  0.02,  0.16)
167:     angle   ( -0.275,  -2.955,   0.926)  ( -0.274,  -2.954,   0.926)  ( 0.01,  0.02,  0.01)
167:     strbnd  ( -0.022,  -0.439,  -0.536)  ( -0.022,  -0.439,  -0.536)  ( 0.00,  0.00,  0.00)
167:     torsion ( -1.106,   1.318,  -1.100)  ( -1.106,   1.318,  -1.100)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  2.246,   1.528,  -0.804)  (  2.246,   1.528,  -0.804)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: ok 6 # gradients 
167: ok 7 # energy 
167: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xkw_p1b.sdf
167:                                                                                         
167:   VALIDATE GRADIENTS : fizgok.xyz
167:                                                                                         
167:                                                                                         
167: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
167: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xm1_ltm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xm8_b4w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xm9_lwh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xmy_cdk.sdf
164:     angle   (  0.202,   7.188,  -7.171)  (  0.204,   7.190,  -7.169)  ( 0.04,  0.03,  0.02)
164:     strbnd  (  3.369,  -1.380,  -2.585)  (  3.367,  -1.380,  -2.585)  ( 0.04,  0.05,  0.01)
164:     torsion ( -0.244,   1.380,   2.916)  ( -0.244,   1.381,   2.917)  ( 0.00,  0.01,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.952,   7.510,   2.573)  ( -0.952,   7.510,   2.573)  ( 0.00,  0.00,  0.00)
164:     electro (  0.755,   3.009,   0.796)  (  0.755,   3.009,   0.796)  ( 0.00,  0.00,  0.00)
164: 24       (  0.007,  -0.018,  -0.003)  (  0.008,  -0.016,  -0.001)  ( 0.00,  0.00,  0.00)
164:     bond    (  0.060,   1.792,   1.597)  (  0.060,   1.794,   1.599)  ( 0.00,  0.10,  0.09)
164:     angle   ( -3.575,  -1.364,   1.663)  ( -3.575,  -1.363,   1.664)  ( 0.02,  0.02,  0.02)
164:     strbnd  ( -0.521,   0.527,  -1.117)  ( -0.521,   0.527,  -1.117)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.187,  -0.049,   0.048)  (  0.187,  -0.049,   0.048)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.856,  -0.925,  -2.194)  (  3.857,  -0.925,  -2.194)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 25       (  0.066,  -0.058,  -0.075)  (  0.072,  -0.052,  -0.069)  ( 0.04,  0.03,  0.04)
164:     bond    (-13.633,   0.941,  12.416)  (-13.629,   0.945,  12.421)  ( 0.03,  0.39,  0.04)
164:     angle   (  2.350,   2.416,  -9.408)  (  2.353,   2.418,  -9.406)  ( 0.09,  0.08,  0.02)
164:     strbnd  (  0.055,   4.163,  -0.501)  (  0.054,   4.162,  -0.502)  ( 0.00,  0.03,  0.04)
164:     torsion (  2.065,  -2.248,   1.183)  (  2.065,  -2.248,   1.183)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  6.223,  -3.991,  -2.667)  (  6.223,  -3.991,  -2.667)  ( 0.00,  0.00,  0.00)
164:     electro (  3.006,  -1.338,  -1.097)  (  3.006,  -1.338,  -1.097)  ( 0.00,  0.00,  0.00)
164: 26       ( -0.004,  -0.009,   0.017)  ( -0.004,  -0.008,   0.020)  ( 0.00,  0.00,  0.01)
164:     bond    ( -0.508,   1.114,  -2.671)  ( -0.508,   1.115,  -2.668)  ( 0.01,  0.04,  0.10)
164:     angle   ( -3.386,  -1.138,   0.169)  ( -3.386,  -1.138,   0.170)  ( 0.02,  0.04,  0.00)
164:     strbnd  ( -0.285,   1.027,   0.757)  ( -0.285,   1.027,   0.757)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.469,   0.506,   0.301)  ( -0.469,   0.506,   0.301)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.645,  -1.519,   1.461)  (  4.645,  -1.518,   1.461)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 27       ( -0.053,   0.087,   0.044)  ( -0.047,   0.093,   0.047)  ( 0.03,  0.05,  0.01)
164:     bond    (-15.148,  -5.941, -10.039)  (-15.143,  -5.937, -10.037)  ( 0.03,  0.08,  0.02)
164:     angle   ( -5.200,  -8.059,   8.744)  ( -5.198,  -8.058,   8.745)  ( 0.03,  0.02,  0.02)
164:     strbnd  ( -1.543,  -1.202,   1.549)  ( -1.544,  -1.203,   1.548)  ( 0.04,  0.04,  0.03)
164:     torsion ( -0.831,   0.963,  -3.227)  ( -0.831,   0.963,  -3.226)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  6.577,   4.313,  -0.037)  (  6.577,   4.313,  -0.037)  ( 0.00,  0.00,  0.00)
164:     electro ( 16.093,  10.014,   3.054)  ( 16.093,  10.014,   3.054)  ( 0.00,  0.00,  0.00)
164: 28       (  0.001,   0.014,  -0.042)  (  0.002,   0.015,  -0.039)  ( 0.00,  0.00,  0.01)
164:     bond    (  0.463,  -1.202,   2.694)  (  0.464,  -1.202,   2.697)  ( 0.00,  0.05,  0.10)
164:     angle   (  0.035,  -0.321,  -0.149)  (  0.036,  -0.320,  -0.149)  ( 0.00,  0.01,  0.00)
164:     strbnd  ( -0.222,  -0.567,  -1.132)  ( -0.222,  -0.567,  -1.132)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.438,  -1.586,  -0.782)  (  0.438,  -1.586,  -0.782)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.714,   3.690,  -0.674)  ( -0.714,   3.690,  -0.674)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 29       (  0.008,   0.030,   0.008)  (  0.008,   0.032,   0.009)  ( 0.00,  0.01,  0.00)
164:     bond    ( -0.087,  -1.217,  -1.051)  ( -0.087,  -1.215,  -1.050)  ( 0.00,  0.16,  0.14)
164:     angle   ( -0.252,   0.112,  -0.110)  ( -0.251,   0.113,  -0.110)  ( 0.02,  0.00,  0.00)
164:     strbnd  (  0.115,   0.045,   1.331)  (  0.115,   0.045,   1.331)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.210,   0.236,  -0.255)  ( -0.210,   0.236,  -0.255)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.441,   0.855,   0.093)  (  0.441,   0.855,   0.093)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 30       ( -0.057,   0.017,   0.002)  ( -0.054,   0.018,   0.002)  ( 0.02,  0.00,  0.00)
164:     bond    ( -1.435,   0.851,  -0.093)  ( -1.433,   0.852,  -0.093)  ( 0.17,  0.08,  0.00)
164:     angle   ( -0.122,  -0.244,  -0.343)  ( -0.122,  -0.243,  -0.342)  ( 0.00,  0.01,  0.02)
164:     strbnd  (  0.598,  -0.582,   1.034)  (  0.598,  -0.582,   1.034)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.027,  -0.078,  -0.298)  ( -0.027,  -0.078,  -0.297)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.930,   0.070,  -0.299)  (  0.930,   0.070,  -0.299)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 31       (  0.005,  -0.020,   0.028)  (  0.006,  -0.019,   0.031)  ( 0.00,  0.00,  0.01)
164:     bond    (  0.312,  -0.902,   2.849)  (  0.312,  -0.902,   2.852)  ( 0.00,  0.03,  0.11)
164:     angle   ( -0.502,   0.107,   0.089)  ( -0.501,   0.107,   0.089)  ( 0.03,  0.01,  0.00)
164:     strbnd  ( -0.940,   0.677,  -0.469)  ( -0.940,   0.677,  -0.469)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.235,   1.160,   0.502)  ( -1.235,   1.160,   0.502)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.370,  -1.062,  -2.942)  (  2.370,  -1.062,  -2.942)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 32       (  0.003,  -0.016,  -0.010)  (  0.005,  -0.014,  -0.009)  ( 0.00,  0.00,  0.00)
164:     bond    ( -0.021,  -0.018,   0.009)  ( -0.019,  -0.016,   0.009)  ( 0.00,  0.00,  0.00)
164:     angle   ( -0.160,   0.222,   0.062)  ( -0.160,   0.222,   0.062)  ( 0.00,  0.01,  0.00)
164:     strbnd  ( -0.521,   0.030,  -0.937)  ( -0.521,   0.030,  -0.938)  ( 0.00,  0.00,  0.01)
164:     torsion (  0.592,  -0.069,   1.057)  (  0.592,  -0.069,   1.057)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.902,   0.369,   0.423)  (  0.902,   0.369,   0.423)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.789,  -0.550,  -0.623)  ( -0.789,  -0.550,  -0.623)  ( 0.00,  0.00,  0.00)
164: 33       ( -0.030,  -0.053,   0.105)  ( -0.019,  -0.047,   0.022)  ( 0.03,  0.03,  0.87)
164:     bond    ( -1.616,  -9.765,   0.189)  ( -1.616,  -9.756,   0.189)  ( 0.01,  0.10,  0.00)
164:     angle   ( 20.636,  -3.367,   2.623)  ( 20.637,  -3.367,   2.623)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  0.680,   2.049,   0.006)  (  0.680,   2.049,   0.006)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.339,   0.113,   2.931)  ( -0.339,   0.113,   2.931)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.045,   0.015,   0.377)  ( -0.035,   0.012,   0.294)  ( 0.04,  0.00,  3.13)
164:     vdw     ( -3.314,  -1.163,  -1.055)  ( -3.314,  -1.163,  -1.055)  ( 0.00,  0.00,  0.00)
164:     electro (-16.031,  12.066,  -4.968)  (-16.031,  12.066,  -4.968)  ( 0.00,  0.00,  0.00)
164: 34       (  0.021,   0.161,   0.031)  (  0.031,   0.164,  -0.005)  ( 0.02,  0.05,  0.11)
164:     bond    ( -3.927,   2.786,  -0.594)  ( -3.921,   2.789,  -0.594)  ( 0.15,  0.13,  0.00)
164:     angle   ( 16.132,  -2.853,   2.371)  ( 16.132,  -2.852,   2.372)  ( 0.00,  0.05,  0.01)
164:     strbnd  ( -0.845,   3.072,  -0.258)  ( -0.845,   3.072,  -0.258)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xn5_fun.sdf
167:  1       (  0.075,   0.147,  -0.085)  (  0.082,   0.159,  -0.080)  ( 0.05,  0.19,  0.04)
167:     bond    ( -7.838,  -3.903,  -3.643)  ( -7.834,  -3.894,  -3.639)  ( 0.06,  0.21,  0.11)
167:     angle   (  7.377, -14.044,  12.273)  (  7.380, -14.042,  12.275)  ( 0.04,  0.02,  0.02)
167:     strbnd  (  0.657,   1.642,  -0.343)  (  0.656,   1.641,  -0.344)  ( 0.08,  0.06,  0.04)
167:     torsion ( -0.045,   0.673,  -0.372)  ( -0.045,   0.673,  -0.371)  ( 0.00,  0.01,  0.00)
167:     oop     ( -0.007,  -0.027,   0.009)  ( -0.007,  -0.024,   0.008)  ( 0.00,  0.01,  0.00)
167:     vdw     ( -0.525,  -6.965,   3.135)  ( -0.525,  -6.965,   3.135)  ( 0.00,  0.00,  0.00)
167:     electro (  0.455,  22.771, -11.143)  (  0.455,  22.771, -11.143)  ( 0.00,  0.00,  0.00)
167:  2       (  1.636,  -0.294,   0.523)  (  1.645,  -0.288,   0.526)  ( 0.60,  0.19,  0.15)
167:     bond    (-11.204,   8.407,  18.715)  (-11.196,   8.408,  18.718)  ( 0.07,  0.01,  0.02)
167:     angle   (  0.078,   5.582,   5.314)  (  0.080,   5.582,   5.316)  ( 0.01,  0.01,  0.04)
167:     strbnd  ( 14.683, -10.263, -21.918)  ( 14.682, -10.263, -21.919)  ( 0.01,  0.00,  0.00)
167:     torsion (  0.150,   0.067,  -0.035)  (  0.150,   0.067,  -0.035)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.011,  -0.041,   0.013)  ( -0.010,  -0.036,   0.012)  ( 0.00,  0.02,  0.00)
167:     vdw     ( -1.009,  -4.181,  -1.167)  ( -1.009,  -4.181,  -1.167)  ( 0.00,  0.00,  0.00)
167:     electro ( -1.053,   0.135,  -0.399)  ( -1.053,   0.135,  -0.399)  ( 0.00,  0.00,  0.00)
167:  3       ( -1.196,  -0.099,  -1.352)  ( -1.194,  -0.124,  -1.338)  ( 0.11,  0.25,  1.02)
167:     bond    ( -4.431,   5.571,  14.123)  ( -4.424,   5.572,  14.127)  ( 0.17,  0.01,  0.03)
167:     angle   (  2.807,  -2.317,  -5.897)  (  2.808,  -2.317,  -5.895)  ( 0.05,  0.01,  0.04)
167:     strbnd  ( -0.396,  -3.222, -10.930)  ( -0.396,  -3.222, -10.931)  ( 0.03,  0.00,  0.01)
167:     torsion (  0.009,   0.024,  -0.016)  (  0.009,   0.024,  -0.016)  ( 0.00,  0.00,  0.00)
167:     oop     (  0.040,   0.151,  -0.046)  (  0.033,   0.124,  -0.038)  ( 0.03,  0.41,  0.04)
167:     vdw     ( -1.180,  -0.564,  -1.315)  ( -1.180,  -0.564,  -1.315)  ( 0.00,  0.00,  0.00)
167:     electro (  1.956,   0.259,   2.729)  (  1.956,   0.259,   2.729)  ( 0.00,  0.00,  0.00)
167:  4       ( -0.453,   0.371,   0.817)  ( -0.453,   0.347,   0.833)  ( 0.03,  0.90,  1.31)
167:     bond    ( 11.836,  -5.927,  -8.661)  ( 11.841,  -5.926,  -8.655)  ( 0.04,  0.01,  0.08)
167:     angle   ( -4.489,   2.870,   4.414)  ( -4.487,   2.870,   4.415)  ( 0.05,  0.01,  0.03)
167:     strbnd  ( -9.187,   3.979,   4.504)  ( -9.187,   3.979,   4.504)  ( 0.01,  0.00,  0.01)
167:     torsion ( -0.003,   0.015,   0.000)  ( -0.003,   0.016,   0.000)  ( 0.00,  0.00,  0.00)
167:     oop     (  0.040,   0.146,  -0.047)  (  0.033,   0.121,  -0.038)  ( 0.03,  0.38,  0.04)
167:     vdw     ( -1.795,  -0.128,  -0.448)  ( -1.795,  -0.128,  -0.448)  ( 0.00,  0.00,  0.00)
167:     electro (  3.145,  -0.584,   1.055)  (  3.145,  -0.584,   1.055)  ( 0.00,  0.00,  0.00)
167:  5       ( -0.041,   0.004,   0.038)  ( -0.035,   0.010,   0.045)  ( 0.02,  0.00,  0.03)
167:     bond    ( 13.675,  -9.287, -16.484)  ( 13.679,  -9.286, -16.477)  ( 0.03,  0.01,  0.04)
167:     angle   (  6.589,   0.956,  -3.854)  (  6.590,   0.957,  -3.852)  ( 0.03,  0.06,  0.04)
167:     strbnd  (-16.570,  11.056,  19.409)  (-16.571,  11.055,  19.409)  ( 0.01,  0.00,  0.00)
167:     torsion (  0.066,   0.138,   0.084)  (  0.066,   0.138,   0.084)  ( 0.00,  0.01,  0.00)
167:     oop     ( -0.010,  -0.039,   0.012)  ( -0.009,  -0.035,   0.011)  ( 0.00,  0.02,  0.00)
167:     vdw     ( -3.074,  -2.716,   1.743)  ( -3.074,  -2.716,   1.743)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.716,  -0.103,  -0.873)  ( -0.716,  -0.103,  -0.873)  ( 0.00,  0.00,  0.00)
167:  6       (  0.013,  -0.004,  -0.008)  (  0.016,   0.001,  -0.008)  ( 0.00,  0.00,  0.00)
167:     bond    ( 11.948,  -5.575,  -8.525)  ( 11.950,  -5.574,  -8.524)  ( 0.01,  0.01,  0.01)
167:     angle   ( -0.801,  -0.056,  -1.086)  ( -0.801,  -0.057,  -1.085)  ( 0.01,  0.00,  0.03)
167:     strbnd  (-17.035,   8.265,  13.244)  (-17.035,   8.265,  13.244)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.113,  -0.440,   0.129)  ( -0.113,  -0.440,   0.129)  ( 0.00,  0.01,  0.00)
167:     oop     ( -0.004,  -0.017,   0.005)  ( -0.003,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
167:     vdw     (  5.058,  -1.595,  -0.879)  (  5.058,  -1.595,  -0.879)  ( 0.00,  0.00,  0.00)
167:     electro (  0.961,  -0.585,  -2.896)  (  0.961,  -0.585,  -2.896)  ( 0.00,  0.00,  0.00)
167:  7       (  0.004,  -0.006,  -0.007)  (  0.009,   0.011,  -0.010)  ( 0.00,  0.01,  0.00)
167:     bond    ( -1.576,  -0.689,  -3.698)  ( -1.575,  -0.689,  -3.696)  ( 0.02,  0.00,  0.06)
167:     angle   ( -1.762,   0.781,   0.606)  ( -1.762,   0.781,   0.606)  ( 0.02,  0.00,  0.00)
167:     strbnd  (  3.973,   2.058,  10.392)  (  3.974,   2.058,  10.392)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.002,   0.010,  -0.003)  (  0.002,   0.010,  -0.003)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.021,  -0.079,   0.024)  ( -0.017,  -0.062,   0.019)  ( 0.01,  0.13,  0.01)
167:     vdw     ( -0.489,  -2.014,  -7.035)  ( -0.489,  -2.014,  -7.035)  ( 0.01,  0.00,  0.00)
167:     electro ( -0.123,  -0.073,  -0.293)  ( -0.123,  -0.073,  -0.293)  ( 0.00,  0.00,  0.00)
167:  8       ( -0.014,   0.006,   0.005)  ( -0.006,   0.023,   0.000)  ( 0.01,  0.01,  0.00)
167:     bond    ( -3.952,   0.990,  -0.369)  ( -3.949,   0.990,  -0.369)  ( 0.06,  0.01,  0.00)
167:     angle   (  0.055,  -0.510,  -1.957)  (  0.055,  -0.510,  -1.957)  ( 0.00,  0.00,  0.02)
167:     strbnd  ( 10.930,  -2.876,   0.597)  ( 10.930,  -2.875,   0.597)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.004,   0.013,  -0.005)  (  0.004,   0.013,  -0.005)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.022,  -0.078,   0.025)  ( -0.017,  -0.061,   0.019)  ( 0.01,  0.13,  0.01)
167:     vdw     ( -6.710,   2.400,   1.731)  ( -6.710,   2.400,   1.731)  ( 0.00,  0.00,  0.01)
167:     electro ( -0.319,   0.065,  -0.017)  ( -0.319,   0.065,  -0.017)  ( 0.00,  0.00,  0.00)
167:  9       (  0.001,  -0.005,  -0.013)  (  0.003,   0.000,  -0.012)  ( 0.00,  0.00,  0.00)
167:     bond    ( -4.048,   5.770,  13.996)  ( -4.048,   5.770,  13.999)  ( 0.00,  0.01,  0.02)
167:     angle   ( -1.241,   0.257,  -0.465)  ( -1.241,   0.257,  -0.465)  ( 0.03,  0.00,  0.00)
167:     strbnd  (  6.786,  -8.639, -20.325)  (  6.786,  -8.639, -20.325)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.124,  -0.435,   0.144)  ( -0.124,  -0.435,   0.144)  ( 0.00,  0.01,  0.00)
167:     oop     ( -0.005,  -0.018,   0.006)  ( -0.004,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
167:     vdw     (  0.799,   1.425,   5.120)  (  0.799,   1.425,   5.120)  ( 0.01,  0.00,  0.00)
167:     electro ( -2.167,   1.634,   1.511)  ( -2.167,   1.634,   1.511)  ( 0.00,  0.00,  0.00)
167: 10       ( -0.041,  -0.122,   0.031)  ( -0.038,  -0.116,   0.034)  ( 0.01,  0.07,  0.01)
167:     bond    ( -3.216, -14.697,   5.117)  ( -3.214, -14.692,   5.118)  ( 0.06,  0.04,  0.02)
167:     angle   ( -7.773,   6.823,  -8.945)  ( -7.771,   6.824,  -8.944)  ( 0.02,  0.01,  0.01)
167:     strbnd  (  6.282,   1.107,   3.899)  (  6.282,   1.107,   3.898)  ( 0.01,  0.00,  0.01)
167:     torsion (  0.055,  -0.068,   0.073)  (  0.055,  -0.068,   0.073)  ( 0.00,  0.00,  0.00)
167:     oop     (  0.002,  -0.001,  -0.002)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
167:     vdw     (  2.079,   0.861,   1.042)  (  2.079,   0.861,   1.042)  ( 0.00,  0.00,  0.00)
167:     electro (  2.530,   5.853,  -1.152)  (  2.530,   5.853,  -1.152)  ( 0.00,  0.00,  0.00)
167: 11       ( -0.148,   0.096,  -0.138)  ( -0.138,   0.102,  -0.133)  ( 0.15,  0.06,  0.07)
167:     bond    ( -2.324,  11.771,  -7.579)  ( -2.317,  11.777,  -7.575)  ( 0.31,  0.05,  0.07)
167:     angle   ( -3.241,  -6.144,   0.794)  ( -3.239,  -6.142,   0.795)  ( 0.06,  0.04,  0.10)
167:     strbnd  (  3.432,   4.890,  -0.026)  (  3.432,   4.889,  -0.026)  ( 0.02,  0.02,  0.00)
167:     torsion ( -0.002,   0.001,   0.002)  ( -0.002,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.006,   0.004,   0.007)  ( -0.005,   0.003,   0.007)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.330,  -2.187,   2.045)  (  1.330,  -2.187,   2.045)  ( 0.00,  0.01,  0.00)
167:     electro (  0.662,  -8.239,   4.619)  (  0.662,  -8.239,   4.619)  ( 0.00,  0.00,  0.00)
167: 12       (  0.104,  -0.045,   0.088)  (  0.109,  -0.043,   0.092)  ( 0.05,  0.01,  0.04)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xne_ash.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xng_a0h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xnm_wgz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xnn_430.sdf
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 61       (-39.791, -21.672,   6.376)  (-39.767, -21.666,   6.382)  ( 0.06,  0.02,  0.11)
163:     bond    (-38.512,  -9.274, -15.814)  (-38.489,  -9.273, -15.810)  ( 0.06,  0.01,  0.02)
163:     angle   ( -4.902, -31.814,  30.587)  ( -4.902, -31.810,  30.590)  ( 0.02,  0.01,  0.01)
163:     torsion ( -2.164,   5.162,   2.239)  ( -2.164,   5.162,   2.239)  ( 0.00,  0.00,  0.00)
163:     vdw     (  5.787,  14.254, -10.637)  (  5.788,  14.254, -10.637)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 62       (-51.597,  18.758,  -5.963)  (-51.591,  18.785,  -5.959)  ( 0.01,  0.15,  0.06)
163:     bond    (  3.501,  40.620,  -1.367)  (  3.501,  40.647,  -1.367)  ( 0.00,  0.07,  0.01)
163:     angle   ( 23.290,  -0.699,  38.845)  ( 23.294,  -0.699,  38.848)  ( 0.02,  0.00,  0.01)
163:     torsion (  6.343,  -0.580,  -1.005)  (  6.344,  -0.580,  -1.005)  ( 0.00,  0.00,  0.00)
163:     vdw     (-84.732, -20.583, -42.435)  (-84.729, -20.583, -42.435)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 63       ( 18.779, -14.958,  -2.598)  ( 18.794, -14.951,  -2.585)  ( 0.08,  0.05,  0.48)
163:     bond    ( 12.071,  -6.940, -10.740)  ( 12.084,  -6.936, -10.729)  ( 0.11,  0.06,  0.10)
163:     angle   (  9.842,  -9.251,  17.064)  (  9.844,  -9.248,  17.066)  ( 0.02,  0.03,  0.01)
163:     torsion ( -3.735,  -4.539,  -1.272)  ( -3.735,  -4.539,  -1.272)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.601,   5.772,  -7.650)  (  0.601,   5.772,  -7.649)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 64       ( -7.737, -18.679,  -1.345)  ( -7.710, -18.674,  -1.340)  ( 0.34,  0.03,  0.41)
163:     bond    (-31.885,  -5.119,   7.694)  (-31.859,  -5.118,   7.696)  ( 0.08,  0.01,  0.02)
163:     angle   ( -7.715, -28.179, -50.681)  ( -7.715, -28.175, -50.678)  ( 0.00,  0.01,  0.01)
163:     torsion (  1.280,  -4.540,   2.282)  (  1.280,  -4.540,   2.282)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 30.583,  19.159,  39.360)  ( 30.583,  19.159,  39.361)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 65       ( 40.384,  -7.087,  -1.162)  ( 40.395,  -7.079,  -1.145)  ( 0.03,  0.12,  1.44)
163:     bond    ( 18.276, -13.631,  25.487)  ( 18.284, -13.627,  25.503)  ( 0.04,  0.03,  0.06)
163:     angle   ( 33.298, -22.150, -35.710)  ( 33.301, -22.147, -35.709)  ( 0.01,  0.01,  0.00)
163:     torsion (  3.662,   3.773,  -0.609)  (  3.662,   3.773,  -0.609)  ( 0.00,  0.00,  0.00)
163:     vdw     (-14.851,  24.922,   9.670)  (-14.851,  24.922,   9.670)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 66       (-18.935,  17.431,  -6.491)  (-18.930,  17.458,  -6.487)  ( 0.03,  0.16,  0.06)
163:     bond    (  5.481,  39.355,   1.074)  (  5.482,  39.383,   1.074)  ( 0.01,  0.07,  0.02)
163:     angle   ( 25.175,  -2.445, -38.854)  ( 25.178,  -2.445, -38.851)  ( 0.01,  0.00,  0.01)
163:     torsion ( -4.466,   0.662,  -1.498)  ( -4.466,   0.662,  -1.498)  ( 0.00,  0.00,  0.00)
163:     vdw     (-45.125, -20.141,  32.788)  (-45.124, -20.141,  32.788)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 67       ( -2.632,  24.315,  23.802)  ( -2.628,  24.342,  23.805)  ( 0.13,  0.11,  0.02)
163:     bond    ( -2.205,  21.491,  -0.922)  ( -2.204,  21.518,  -0.922)  ( 0.01,  0.13,  0.00)
163:     angle   (  0.322,   1.460,  33.287)  (  0.325,   1.460,  33.291)  ( 0.09,  0.00,  0.01)
163:     torsion (  1.351,  -0.167,  -7.120)  (  1.351,  -0.167,  -7.120)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -2.100,   1.530,  -1.443)  ( -2.100,   1.530,  -1.443)  ( 0.01,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 68       (  8.621, -30.526,  -4.348)  (  8.627, -30.520,  -4.325)  ( 0.06,  0.02,  0.54)
163:     bond    (  3.678,  -3.681, -11.381)  (  3.681,  -3.678, -11.358)  ( 0.06,  0.06,  0.20)
163:     angle   ( 10.007, -25.098,  11.370)  ( 10.010, -25.094,  11.370)  ( 0.03,  0.01,  0.00)
163:     torsion (  1.105, -10.123,   3.636)  (  1.105, -10.123,   3.636)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -6.169,   8.376,  -7.973)  ( -6.168,   8.376,  -7.973)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 69       ( 19.868,  12.686,  10.166)  ( 19.877,  12.695,  10.185)  ( 0.04,  0.07,  0.19)
163:     bond    (-17.162,  19.982,  30.757)  (-17.157,  19.989,  30.773)  ( 0.03,  0.03,  0.05)
163:     angle   ( 23.074, -23.287,  27.989)  ( 23.077, -23.285,  27.991)  ( 0.01,  0.01,  0.01)
163:     torsion ( 11.543,  -4.396,   9.291)  ( 11.543,  -4.396,   9.291)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.412,  20.386, -57.871)  (  2.413,  20.387, -57.870)  ( 0.06,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 70       (  3.856,  -5.617, -23.123)  (  3.868,  -5.613, -23.104)  ( 0.31,  0.08,  0.08)
163:     bond    ( -7.666,   2.356, -10.475)  ( -7.657,   2.357, -10.457)  ( 0.12,  0.04,  0.17)
163:     angle   ( 15.864, -23.495, -16.914)  ( 15.866, -23.492, -16.913)  ( 0.01,  0.01,  0.01)
163:     torsion ( -7.048,   5.024,   6.293)  ( -7.048,   5.024,   6.293)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.706,  10.498,  -2.027)  (  2.707,  10.498,  -2.027)  ( 0.02,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 71       ( -2.147, -23.094, -11.990)  ( -2.124, -23.086, -11.983)  ( 1.06,  0.03,  0.05)
163:     bond    (-18.976,  -7.679,   6.984)  (-18.955,  -7.675,   6.987)  ( 0.11,  0.04,  0.04)
163:     angle   ( -6.130, -29.366, -48.884)  ( -6.129, -29.363, -48.881)  ( 0.02,  0.01,  0.01)
163:     torsion (  0.625,  -0.949,   0.653)  (  0.625,  -0.949,   0.653)  ( 0.00,  0.01,  0.00)
163:     vdw     ( 22.334,  14.900,  29.256)  ( 22.334,  14.900,  29.257)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 72       ( 20.627,  -9.034,   0.423)  ( 20.642,  -9.030,   0.439)  ( 0.07,  0.05,  0.69)
163:     bond    ( 18.783,  -5.397,  20.943)  ( 18.795,  -5.396,  20.958)  ( 0.06,  0.02,  0.07)
163:     angle   ( 36.607,  -6.618, -34.536)  ( 36.609,  -6.615, -34.535)  ( 0.01,  0.06,  0.00)
163:     torsion (  1.051,   1.742,  -0.494)  (  1.051,   1.742,  -0.494)  ( 0.00,  0.01,  0.00)
163:     vdw     (-35.814,   1.239,  14.510)  (-35.813,   1.239,  14.510)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 73       (-13.401,  18.857,  -7.984)  (-13.397,  18.885,  -7.980)  ( 0.04,  0.15,  0.05)
163:     bond    ( -4.324,  40.254,  -3.034)  ( -4.324,  40.282,  -3.034)  ( 0.00,  0.07,  0.00)
163:     angle   ( 25.583,  -0.124, -38.116)  ( 25.587,  -0.124, -38.112)  ( 0.01,  0.00,  0.01)
163:     torsion ( -1.041,  -0.132,  -0.271)  ( -1.040,  -0.132,  -0.271)  ( 0.02,  0.00,  0.00)
163:     vdw     (-33.620, -21.141,  33.436)  (-33.619, -21.141,  33.437)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 74       ( 37.644,  95.477, 158.215)  ( 37.658,  95.483, 158.242)  ( 0.04,  0.01,  0.02)
163:     bond    ( 96.412,  66.499, 143.448)  ( 96.424,  66.506, 143.473)  ( 0.01,  0.01,  0.02)
163:     angle   (-10.556,  -4.320,   9.095)  (-10.555,  -4.320,   9.096)  ( 0.02,  0.01,  0.01)
163:     torsion (-20.678,  40.377,  -4.819)  (-20.678,  40.377,  -4.819)  ( 0.00,  0.00,  0.00)
163:     vdw     (-27.549,  -7.301,  10.524)  (-27.548,  -7.301,  10.524)  ( 0.00,  0.00,  0.00)
163:     electro (  0.016,   0.222,  -0.032)  (  0.016,   0.222,  -0.032)  ( 0.00,  0.00,  0.00)
163: ok 22 # gradients 
163: ok 23 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (1291.687, -969.396, 620.852)  (1291.781, -969.306, 620.868)  ( 0.01,  0.01,  0.00)
163:     bond    (1151.916, -865.000, 587.078)  (1151.998, -864.921, 587.090)  ( 0.01,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xno_ed8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xnp_wcx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xo8_ad9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xog_sfb.sdf
167:     bond    (  2.062,  -0.697,   1.813)  (  2.066,  -0.696,   1.817)  ( 0.24,  0.04,  0.21)
167:     angle   (  4.094,   8.524,  -1.388)  (  4.094,   8.525,  -1.388)  ( 0.00,  0.01,  0.00)
167:     strbnd  ( -2.194,   1.376,  -2.250)  ( -2.194,   1.376,  -2.250)  ( 0.00,  0.01,  0.00)
167:     torsion (  0.001,  -0.001,  -0.001)  (  0.001,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
167:     oop     (  0.002,  -0.002,  -0.003)  (  0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -4.811,   4.186,  -5.523)  ( -4.811,   4.186,  -5.523)  ( 0.00,  0.01,  0.00)
167:     electro (  0.951, -13.432,   7.439)  (  0.951, -13.432,   7.439)  ( 0.00,  0.00,  0.00)
167: 13       (  0.019,  -0.062,   0.035)  (  0.022,  -0.057,   0.038)  ( 0.01,  0.03,  0.01)
167:     bond    ( -0.415,   6.996,  -3.819)  ( -0.413,   7.000,  -3.818)  ( 0.10,  0.06,  0.03)
167:     angle   (  8.099,   0.357,   5.569)  (  8.100,   0.358,   5.570)  ( 0.01,  0.02,  0.02)
167:     strbnd  ( -1.445,  -0.164,  -0.943)  ( -1.445,  -0.164,  -0.943)  ( 0.01,  0.00,  0.00)
167:     torsion (  0.096,   0.027,   0.051)  (  0.096,   0.027,   0.051)  ( 0.00,  0.00,  0.00)
167:     oop     (  0.002,  -0.001,  -0.003)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -1.982,  -2.198,  -0.300)  ( -1.982,  -2.198,  -0.300)  ( 0.00,  0.00,  0.00)
167:     electro ( -4.335,  -5.079,  -0.519)  ( -4.335,  -5.079,  -0.519)  ( 0.00,  0.00,  0.00)
167: 14       (  0.006,   0.040,  -0.035)  (  0.012,   0.045,  -0.029)  ( 0.00,  0.02,  0.02)
167:     bond    (  2.536,  -3.983,   3.794)  (  2.540,  -3.979,   3.799)  ( 0.17,  0.11,  0.12)
167:     angle   ( -4.065,   3.789,  -4.804)  ( -4.063,   3.791,  -4.803)  ( 0.05,  0.05,  0.04)
167:     strbnd  ( -0.833,   0.598,  -0.890)  ( -0.834,   0.596,  -0.891)  ( 0.05,  0.09,  0.05)
167:     torsion ( -0.191,  -0.892,   0.315)  ( -0.191,  -0.892,   0.315)  ( 0.00,  0.01,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  6.216,   6.029,   1.376)  (  6.216,   6.029,   1.376)  ( 0.00,  0.00,  0.00)
167:     electro ( -3.657,  -5.500,   0.174)  ( -3.657,  -5.500,   0.174)  ( 0.00,  0.00,  0.00)
167: 15       ( -0.047,  -0.022,   0.038)  ( -0.042,  -0.016,   0.044)  ( 0.03,  0.01,  0.02)
167:     bond    ( -2.867,  -2.743,  -0.596)  ( -2.863,  -2.738,  -0.591)  ( 0.15,  0.16,  0.26)
167:     angle   (  3.517,  -2.080,   3.550)  (  3.519,  -2.078,   3.552)  ( 0.05,  0.09,  0.05)
167:     strbnd  (  0.684,   0.667,   0.147)  (  0.683,   0.666,   0.146)  ( 0.06,  0.04,  0.01)
167:     torsion ( -1.441,   4.053,  -3.064)  ( -1.441,   4.053,  -3.064)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.060,   0.081,   0.002)  (  0.060,   0.081,   0.002)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 16       ( -0.011,  -0.078,   0.040)  ( -0.010,  -0.073,   0.042)  ( 0.00,  0.05,  0.01)
167:     bond    ( -0.642,   8.502,  -4.741)  ( -0.642,   8.508,  -4.739)  ( 0.00,  0.07,  0.04)
167:     angle   ( -2.615,  -0.955,  -1.361)  ( -2.614,  -0.955,  -1.360)  ( 0.03,  0.02,  0.04)
167:     strbnd  (  0.050,  -9.018,   4.574)  (  0.050,  -9.018,   4.574)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.486,  -1.486,   1.804)  (  1.486,  -1.486,   1.804)  ( 0.00,  0.00,  0.00)
167:     electro (  1.710,   2.879,  -0.236)  (  1.710,   2.879,  -0.236)  ( 0.00,  0.00,  0.00)
167: 17       ( -0.005,   0.002,  -0.011)  ( -0.004,   0.003,  -0.007)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.079,   0.242,   1.908)  ( -0.079,   0.242,   1.911)  ( 0.00,  0.00,  0.17)
167:     angle   ( -1.927,  -2.302,   0.212)  ( -1.927,  -2.301,   0.212)  ( 0.03,  0.03,  0.00)
167:     strbnd  (  0.174,  -0.470,   0.195)  (  0.174,  -0.470,   0.195)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.269,  -0.028,   0.015)  (  0.269,  -0.028,   0.015)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.559,   2.559,  -2.340)  (  1.559,   2.559,  -2.340)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 18       ( -0.013,   0.008,  -0.002)  ( -0.010,   0.010,  -0.001)  ( 0.00,  0.00,  0.00)
167:     bond    (  1.600,  -0.952,  -0.465)  (  1.603,  -0.952,  -0.465)  ( 0.15,  0.08,  0.01)
167:     angle   ( -1.585,  -2.541,  -0.266)  ( -1.585,  -2.540,  -0.265)  ( 0.01,  0.02,  0.01)
167:     strbnd  (  0.041,  -0.375,   0.383)  (  0.041,  -0.375,   0.383)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.115,   0.081,   0.231)  (  0.115,   0.081,   0.231)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.184,   3.795,   0.115)  ( -0.184,   3.795,   0.115)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 19       ( -0.003,   0.007,  -0.003)  ( -0.003,   0.010,  -0.002)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.011,  -0.341,   0.161)  ( -0.011,  -0.338,   0.162)  ( 0.00,  0.09,  0.01)
167:     angle   ( -0.425,  -0.104,  -0.247)  ( -0.425,  -0.104,  -0.246)  ( 0.02,  0.00,  0.01)
167:     strbnd  ( -0.183,  -0.109,  -0.074)  ( -0.183,  -0.109,  -0.074)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.617,   0.560,   0.156)  (  0.617,   0.560,   0.156)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 20       (  0.031,  -0.017,  -0.014)  (  0.033,  -0.015,  -0.014)  ( 0.01,  0.00,  0.00)
167:     bond    ( -1.142,   0.665,   0.296)  ( -1.140,   0.665,   0.296)  ( 0.21,  0.05,  0.00)
167:     angle   ( -0.598,   0.006,  -2.313)  ( -0.598,   0.007,  -2.313)  ( 0.01,  0.00,  0.02)
167:     strbnd  (  0.341,  -0.436,  -0.190)  (  0.341,  -0.436,  -0.190)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.100,  -1.141,   2.178)  ( -0.100,  -1.141,   2.178)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.529,   0.890,   0.014)  (  1.529,   0.890,   0.014)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 21       (  0.003,   0.010,  -0.024)  (  0.003,   0.010,  -0.020)  ( 0.00,  0.00,  0.01)
167:     bond    (  0.025,  -0.167,  -1.404)  (  0.025,  -0.167,  -1.400)  ( 0.00,  0.00,  0.24)
167:     angle   ( -2.115,   1.092,  -0.168)  ( -2.114,   1.093,  -0.168)  ( 0.03,  0.04,  0.00)
167:     strbnd  ( -0.186,  -0.062,   0.552)  ( -0.186,  -0.062,   0.552)  ( 0.00,  0.00,  0.00)
167:     torsion (  1.253,  -2.101,   0.273)  (  1.253,  -2.101,   0.273)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.026,   1.247,   0.724)  (  1.026,   1.247,   0.724)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: ok 8 # gradients 
167: ok 9 # energy 
167: ----------------------------------------------------------------------------------------
167:                                                                                         
167:   VALIDATE GRADIENTS : semdix.xyz
167:                                                                                         
167:                                                                                         
167: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
167: ----------------------------------------------------------------------------------------
167:  1       ( -0.039,  -0.073,   0.047)  ( -0.036,  -0.064,   0.051)  ( 0.01,  0.06,  0.02)
167:     bond    ( -7.512,   1.783,  -2.223)  ( -7.509,   1.791,  -2.220)  ( 0.04,  0.44,  0.14)
167:     angle   (  9.520,   8.593,   6.171)  (  9.521,   8.594,   6.173)  ( 0.01,  0.01,  0.03)
167:     strbnd  (-12.566,   3.932,  -2.829)  (-12.567,   3.932,  -2.830)  ( 0.00,  0.01,  0.02)
167:     torsion (  0.272,   0.999,  -0.774)  (  0.272,   0.999,  -0.774)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  8.163, -13.337,  -0.869)  (  8.163, -13.337,  -0.869)  ( 0.00,  0.00,  0.00)
167:     electro (  2.084,  -2.043,   0.571)  (  2.084,  -2.043,   0.571)  ( 0.00,  0.00,  0.00)
167:  2       ( -0.001,  -0.011,   0.004)  (  0.000,  -0.009,   0.007)  ( 0.00,  0.00,  0.00)
167:     bond    (  0.455,   0.358,  -0.667)  (  0.457,   0.359,  -0.665)  ( 0.05,  0.03,  0.16)
167:     angle   (  4.611,  -3.755,   1.139)  (  4.612,  -3.754,   1.139)  ( 0.01,  0.02,  0.02)
167:     strbnd  ( -0.238,   1.721,   0.675)  ( -0.238,   1.720,   0.675)  ( 0.00,  0.00,  0.01)
167:     torsion (  0.420,  -0.286,   0.134)  (  0.420,  -0.286,   0.134)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  3.879,  -9.651,   0.860)  (  3.879,  -9.651,   0.860)  ( 0.00,  0.00,  0.00)
167:     electro ( -9.129,  11.602,  -2.137)  ( -9.129,  11.602,  -2.137)  ( 0.00,  0.00,  0.00)
167:  3       (  0.003,  -0.013,   0.006)  (  0.004,  -0.007,   0.006)  ( 0.00,  0.01,  0.00)
167:     bond    (  0.045,  -0.386,  -0.051)  (  0.045,  -0.380,  -0.051)  ( 0.00,  0.23,  0.00)
167:     angle   ( -3.619,  -0.541,   0.864)  ( -3.619,  -0.541,   0.864)  ( 0.02,  0.00,  0.03)
167:     strbnd  ( -0.660,   0.252,  -0.120)  ( -0.660,   0.252,  -0.120)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.212,  -0.151,   0.948)  ( -0.212,  -0.151,   0.948)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.344,  -0.504,   0.445)  (  1.344,  -0.504,   0.445)  ( 0.00,  0.00,  0.00)
167:     electro (  3.105,   1.317,  -2.081)  (  3.105,   1.317,  -2.081)  ( 0.00,  0.00,  0.00)
167:  4       (  0.044,   0.056,  -0.067)  (  0.045,   0.058,  -0.063)  ( 0.01,  0.01,  0.02)
167:     bond    ( -0.400,  -0.524,   0.650)  ( -0.398,  -0.522,   0.653)  ( 0.04,  0.10,  0.20)
167:     angle   ( -5.854,   2.869,  -1.277)  ( -5.853,   2.870,  -1.277)  ( 0.01,  0.01,  0.01)
167:     strbnd  ( -1.135,  -0.538,   0.610)  ( -1.135,  -0.538,   0.610)  ( 0.01,  0.01,  0.01)
167:     torsion (  0.032,  -0.698,  -0.538)  (  0.032,  -0.698,  -0.538)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( 10.552,  -8.215,   3.363)  ( 10.552,  -8.215,   3.363)  ( 0.00,  0.00,  0.00)
167:     electro ( -3.151,   7.161,  -2.875)  ( -3.151,   7.161,  -2.875)  ( 0.00,  0.00,  0.00)
167:  5       ( -0.016,  -0.032,  -0.036)  ( -0.011,  -0.028,  -0.031)  ( 0.01,  0.02,  0.02)
167:     bond    (  8.665,  -5.869,  -2.407)  (  8.668,  -5.866,  -2.405)  ( 0.03,  0.04,  0.11)
167:     angle   ( 14.891, -11.135,  -0.108)  ( 14.893, -11.133,  -0.105)  ( 0.02,  0.02,  0.03)
167:     strbnd  ( -4.622,   7.292,  -0.077)  ( -4.623,   7.291,  -0.078)  ( 0.02,  0.01,  0.01)
167:     torsion (  0.115,  -0.478,   0.649)  (  0.115,  -0.478,   0.649)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.615,  -0.366,   0.687)  (  0.615,  -0.366,   0.687)  ( 0.00,  0.00,  0.00)
167:     electro (-19.678,  10.524,   1.221)  (-19.678,  10.524,   1.221)  ( 0.00,  0.00,  0.00)
167:  6       ( -0.030,   0.012,   0.002)  ( -0.026,   0.016,   0.008)  ( 0.01,  0.01,  0.00)
167:     bond    ( -5.107,  28.856,  -3.817)  ( -5.104,  28.859,  -3.812)  ( 0.06,  0.01,  0.13)
167:     angle   (-16.294, -14.070,  -0.576)  (-16.291, -14.068,  -0.574)  ( 0.02,  0.02,  0.12)
167:     strbnd  ( 14.404,  -7.085,   3.027)  ( 14.402,  -7.086,   3.026)  ( 0.01,  0.01,  0.02)
167:     torsion (  0.382,  -0.345,   0.073)  (  0.382,  -0.345,   0.073)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  6.585,  -7.344,   1.295)  (  6.585,  -7.344,   1.295)  ( 0.00,  0.00,  0.01)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:  7       ( -0.008,   0.056,   0.024)  ( -0.002,   0.062,   0.028)  ( 0.00,  0.03,  0.01)
167:     bond    (-17.495,  -2.527,  22.456)  (-17.491,  -2.523,  22.459)  ( 0.02,  0.17,  0.01)
167:     angle   (  6.906,   4.793, -20.315)  (  6.908,   4.795, -20.313)  ( 0.03,  0.05,  0.01)
167:     strbnd  ( -0.312,   0.860,  -1.629)  ( -0.313,   0.860,  -1.630)  ( 0.02,  0.06,  0.07)
167:     torsion (  0.078,   0.540,   0.603)  (  0.078,   0.540,   0.603)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.365,   6.410,  -7.993)  (  0.365,   6.411,  -7.993)  ( 0.01,  0.00,  0.00)
167:     electro ( 10.449, -10.021,   6.902)  ( 10.449, -10.021,   6.902)  ( 0.00,  0.00,  0.00)
167:  8       ( -0.016,   0.021,   0.017)  ( -0.011,   0.026,   0.023)  ( 0.01,  0.01,  0.01)
167:     bond    (  5.818,  -7.958,   2.136)  (  5.822,  -7.954,   2.140)  ( 0.08,  0.05,  0.20)
167:     angle   ( -9.508,   5.167,   2.401)  ( -9.507,   5.169,   2.402)  ( 0.02,  0.04,  0.07)
167:     strbnd  ( -1.075,  -2.063,   3.999)  ( -1.075,  -2.064,   3.999)  ( 0.05,  0.04,  0.01)
167:     torsion (  1.216,   0.373,  -0.759)  (  1.216,   0.373,  -0.759)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  3.533,   4.502,  -7.760)  (  3.533,   4.502,  -7.760)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:  9       ( -0.034,   0.039,   0.014)  ( -0.028,   0.044,   0.018)  ( 0.02,  0.02,  0.01)
167:     bond    (-10.691, -17.476, -11.199)  (-10.687, -17.472, -11.195)  ( 0.04,  0.02,  0.03)
167:     angle   (  6.844,  25.523,   4.420)  (  6.847,  25.525,   4.423)  ( 0.03,  0.01,  0.05)
167:     strbnd  ( -0.703,  -2.771,   2.914)  ( -0.704,  -2.772,   2.913)  ( 0.03,  0.03,  0.04)
167:     torsion ( -1.271,   0.298,  -0.007)  ( -1.271,   0.298,  -0.007)  ( 0.01,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.611,   6.133,   7.845)  ( -0.611,   6.133,   7.845)  ( 0.01,  0.00,  0.00)
167:     electro (  6.398, -11.668,  -3.961)  (  6.398, -11.668,  -3.961)  ( 0.00,  0.00,  0.00)
167: 10       ( -0.043,   0.023,  -0.058)  ( -0.037,   0.029,  -0.053)  ( 0.03,  0.01,  0.03)
167:     bond    (  2.273,   4.210,  -7.157)  (  2.278,   4.215,  -7.153)  ( 0.20,  0.11,  0.06)
167:     angle   ( -4.782,  -9.381,   5.110)  ( -4.780,  -9.380,   5.112)  ( 0.04,  0.02,  0.04)
167:     strbnd  ( -0.590,  -1.767,  -5.703)  ( -0.590,  -1.768,  -5.704)  ( 0.03,  0.02,  0.02)
167:     torsion (  0.624,   0.972,   0.410)  (  0.624,   0.972,   0.410)  ( 0.00,  0.01,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  2.432,   5.989,   7.283)  (  2.432,   5.989,   7.283)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 11       (  0.006,  -0.014,   0.008)  (  0.010,  -0.008,   0.014)  ( 0.00,  0.01,  0.00)
167:     bond    ( 18.679,  -2.807,  -6.521)  ( 18.682,  -2.803,  -6.517)  ( 0.02,  0.16,  0.07)
167:     angle   (-21.205,  14.183,   9.289)  (-21.203,  14.185,   9.291)  ( 0.01,  0.01,  0.02)
167:     strbnd  (  1.878,  -2.321,  -3.338)  (  1.877,  -2.322,  -3.338)  ( 0.08,  0.02,  0.02)
167:     torsion (  0.229,  -0.649,  -0.324)  (  0.229,  -0.649,  -0.324)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -9.496,  -1.546,  -1.456)  ( -9.496,  -1.546,  -1.456)  ( 0.00,  0.01,  0.01)
167:     electro (  9.922,  -6.874,   2.359)  (  9.922,  -6.874,   2.359)  ( 0.00,  0.00,  0.00)
167: 12       ( -0.001,   0.032,   0.005)  (  0.005,   0.038,   0.010)  ( 0.00,  0.02,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xp5_4ff.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xp6_4g2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xp7_4f8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xp8_4fy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xp9_4g8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xpa_4g5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xpb_4ge.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xpc_051.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xpk_z0m.sdf
164:     torsion (  0.144,  -0.049,  -1.174)  (  0.144,  -0.049,  -1.173)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.036,   0.013,   0.294)  ( -0.031,   0.011,   0.258)  ( 0.02,  0.00,  1.06)
164:     vdw     (-11.558,  -6.965,   1.339)  (-11.558,  -6.965,   1.339)  ( 0.00,  0.00,  0.00)
164:     electro (  0.110,   4.158,  -1.948)  (  0.110,   4.158,  -1.948)  ( 0.00,  0.00,  0.00)
164: 35       ( -0.101,  -0.084,  -0.013)  ( -0.097,  -0.081,  -0.013)  ( 0.04,  0.02,  0.00)
164:     bond    (  0.234,   0.187,   0.015)  (  0.238,   0.189,   0.015)  ( 0.08,  0.04,  0.00)
164:     angle   ( -9.135,  11.640,  -1.684)  ( -9.135,  11.640,  -1.684)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( -1.252,  -0.773,  -0.092)  ( -1.252,  -0.773,  -0.092)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.050,  -0.027,  -0.452)  (  0.050,  -0.027,  -0.452)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.204,   0.155,  -0.034)  ( -0.204,   0.155,  -0.034)  ( 0.00,  0.00,  0.00)
164:     electro ( 10.207, -11.265,   2.235)  ( 10.207, -11.265,   2.235)  ( 0.00,  0.00,  0.00)
164: 36       (  0.023,  -0.029,  -0.012)  (  0.030,  -0.025,  -0.007)  ( 0.01,  0.01,  0.01)
164:     bond    (  1.340,  -4.011,  -2.272)  (  1.346,  -4.008,  -2.268)  ( 0.45,  0.07,  0.18)
164:     angle   ( -1.289,   0.664,   1.982)  ( -1.288,   0.666,   1.984)  ( 0.08,  0.10,  0.10)
164:     strbnd  (  0.232,  -0.792,   0.487)  (  0.231,  -0.793,   0.486)  ( 0.02,  0.03,  0.03)
164:     torsion ( -1.155,   0.195,  -0.282)  ( -1.155,   0.195,  -0.282)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.717,   5.471,   0.093)  (  0.717,   5.471,   0.093)  ( 0.00,  0.00,  0.00)
164:     electro (  0.179,  -1.556,  -0.020)  (  0.179,  -1.556,  -0.020)  ( 0.00,  0.00,  0.00)
164: 37       (  0.029,   0.043,  -0.047)  (  0.034,   0.047,  -0.041)  ( 0.01,  0.02,  0.03)
164:     bond    (  1.435,  -3.700,  -1.718)  (  1.438,  -3.696,  -1.713)  ( 0.27,  0.10,  0.31)
164:     angle   (  0.328,   0.545,   0.556)  (  0.329,   0.546,   0.558)  ( 0.03,  0.08,  0.12)
164:     strbnd  ( -0.069,  -0.300,   0.440)  ( -0.069,  -0.301,   0.439)  ( 0.00,  0.01,  0.04)
164:     torsion (  0.956,   0.601,   0.479)  (  0.956,   0.601,   0.479)  ( 0.01,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.832,   4.136,   0.355)  ( -2.832,   4.136,   0.355)  ( 0.00,  0.00,  0.00)
164:     electro (  0.210,  -1.238,  -0.159)  (  0.210,  -1.238,  -0.159)  ( 0.00,  0.00,  0.00)
164: 38       ( -0.013,   0.017,  -0.005)  ( -0.012,   0.019,  -0.003)  ( 0.00,  0.00,  0.00)
164:     bond    (  0.435,  -0.767,   0.899)  (  0.435,  -0.766,   0.901)  ( 0.02,  0.11,  0.17)
164:     angle   (  0.496,   0.229,  -0.045)  (  0.496,   0.229,  -0.045)  ( 0.03,  0.00,  0.00)
164:     strbnd  ( -0.157,   0.213,  -0.446)  ( -0.157,   0.213,  -0.446)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.563,  -0.012,  -0.282)  (  0.563,  -0.012,  -0.283)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.724,   0.200,   0.015)  ( -0.724,   0.200,   0.015)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.625,   0.154,  -0.145)  ( -0.625,   0.154,  -0.145)  ( 0.00,  0.00,  0.00)
164: 39       ( -0.005,  -0.008,   0.012)  ( -0.003,  -0.007,   0.014)  ( 0.00,  0.00,  0.00)
164:     bond    (  0.863,   0.325,  -0.866)  (  0.864,   0.325,  -0.865)  ( 0.15,  0.01,  0.15)
164:     angle   (  0.432,  -1.789,  -0.241)  (  0.433,  -1.789,  -0.241)  ( 0.01,  0.02,  0.01)
164:     strbnd  ( -0.148,  -0.179,   0.111)  ( -0.148,  -0.179,   0.111)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.500,  -0.248,   0.406)  (  0.500,  -0.248,   0.406)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.310,   2.013,   0.436)  ( -1.310,   2.013,   0.436)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.342,  -0.130,   0.167)  ( -0.342,  -0.130,   0.167)  ( 0.00,  0.00,  0.00)
164: 40       ( -0.029,  -0.039,   0.034)  ( -0.028,  -0.036,   0.035)  ( 0.00,  0.01,  0.00)
164:     bond    ( -0.592,  -0.813,   0.455)  ( -0.591,  -0.811,   0.456)  ( 0.06,  0.16,  0.03)
164:     angle   ( -0.349,   0.064,  -0.339)  ( -0.348,   0.064,  -0.339)  ( 0.01,  0.00,  0.02)
164:     strbnd  (  0.254,   0.177,  -0.194)  (  0.254,   0.177,  -0.194)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.231,  -0.135,  -0.540)  ( -0.231,  -0.135,  -0.540)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.504,   0.376,   0.413)  (  0.504,   0.376,   0.413)  ( 0.00,  0.00,  0.00)
164:     electro (  0.385,   0.292,   0.238)  (  0.385,   0.292,   0.238)  ( 0.00,  0.00,  0.00)
164: 41       (  0.005,  -0.012,   0.021)  (  0.005,  -0.011,   0.024)  ( 0.00,  0.00,  0.01)
164:     bond    ( -0.265,   0.213,  -1.387)  ( -0.265,   0.213,  -1.384)  ( 0.00,  0.00,  0.25)
164:     angle   ( -0.002,  -0.794,  -0.122)  ( -0.001,  -0.793,  -0.122)  ( 0.00,  0.04,  0.00)
164:     strbnd  (  0.104,  -0.149,   0.254)  (  0.104,  -0.149,   0.254)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.534,  -0.473,   0.029)  ( -0.534,  -0.473,   0.029)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.465,   1.537,   0.914)  (  0.465,   1.537,   0.914)  ( 0.00,  0.00,  0.00)
164:     electro (  0.237,  -0.346,   0.332)  (  0.237,  -0.346,   0.332)  ( 0.00,  0.00,  0.00)
164: 42       (  0.013,   0.008,  -0.041)  (  0.014,   0.009,  -0.038)  ( 0.00,  0.00,  0.01)
164:     bond    ( -1.424,  -0.121,   4.422)  ( -1.424,  -0.120,   4.425)  ( 0.03,  0.00,  0.07)
164:     angle   (  0.750,  -1.072,   0.212)  (  0.750,  -1.071,   0.212)  ( 0.02,  0.08,  0.00)
164:     strbnd  (  0.500,  -0.190,  -1.471)  (  0.500,  -0.190,  -1.471)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.246,   0.662,  -0.061)  ( -0.246,   0.662,  -0.061)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.074,   0.895,  -1.822)  ( -0.074,   0.895,  -1.822)  ( 0.00,  0.00,  0.00)
164:     electro (  0.507,  -0.167,  -1.321)  (  0.507,  -0.167,  -1.321)  ( 0.00,  0.00,  0.00)
164: ok 24 # gradients 
164: ok 25 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xpw_otc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xqj_vx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xru_400.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xsh_dc5.sdf
167:     bond    (  1.992,   4.956,   6.984)  (  1.996,   4.961,   6.989)  ( 0.21,  0.09,  0.06)
167:     angle   (  3.962,  -6.006,  -8.362)  (  3.964,  -6.004,  -8.360)  ( 0.04,  0.03,  0.02)
167:     strbnd  (  4.498,   2.135,   1.871)  (  4.497,   2.135,   1.870)  ( 0.01,  0.03,  0.04)
167:     torsion ( -1.062,   0.377,   0.291)  ( -1.062,   0.377,   0.291)  ( 0.01,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -9.391,  -1.430,  -0.779)  ( -9.391,  -1.430,  -0.779)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 13       (  0.009,   0.002,   0.000)  (  0.010,   0.004,   0.003)  ( 0.00,  0.00,  0.00)
167:     bond    (  0.237,   0.694,   1.067)  (  0.237,   0.695,   1.069)  ( 0.00,  0.07,  0.22)
167:     angle   ( -2.166,   2.271,  -0.996)  ( -2.166,   2.271,  -0.996)  ( 0.03,  0.02,  0.02)
167:     strbnd  ( -0.528,   2.326,  -1.506)  ( -0.528,   2.326,  -1.506)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.333,   0.625,  -0.333)  ( -0.333,   0.625,  -0.333)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  2.799,  -5.914,   1.768)  (  2.799,  -5.914,   1.768)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 14       (  0.001,  -0.041,  -0.025)  (  0.002,  -0.038,  -0.023)  ( 0.00,  0.01,  0.00)
167:     bond    (  0.121,   0.978,   0.855)  (  0.121,   0.980,   0.856)  ( 0.00,  0.19,  0.12)
167:     angle   ( -0.835,  -2.814,   3.339)  ( -0.835,  -2.814,   3.339)  ( 0.04,  0.01,  0.01)
167:     strbnd  ( -1.501,  -1.444,   1.827)  ( -1.501,  -1.444,   1.827)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.525,   0.316,  -0.288)  ( -0.525,   0.316,  -0.288)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  2.741,   2.922,  -5.758)  (  2.741,   2.922,  -5.758)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 15       ( -0.009,  -0.007,  -0.008)  ( -0.006,  -0.006,  -0.008)  ( 0.00,  0.00,  0.00)
167:     bond    (  2.025,   0.488,   0.203)  (  2.028,   0.489,   0.203)  ( 0.16,  0.01,  0.00)
167:     angle   (  0.918,  -6.276,   5.935)  (  0.918,  -6.276,   5.935)  ( 0.00,  0.01,  0.01)
167:     strbnd  (  0.315,  -0.157,   2.848)  (  0.315,  -0.157,   2.848)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.156,  -0.632,  -0.038)  (  0.156,  -0.632,  -0.038)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -3.424,   6.571,  -8.956)  ( -3.423,   6.571,  -8.956)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 16       (  0.004,  -0.019,  -0.010)  (  0.005,  -0.017,  -0.009)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.003,  -0.033,  -0.027)  ( -0.003,  -0.031,  -0.026)  ( 0.00,  0.01,  0.00)
167:     angle   (  0.672,  -2.508,   2.974)  (  0.672,  -2.507,   2.974)  ( 0.03,  0.01,  0.01)
167:     strbnd  (  0.326,  -0.072,   0.486)  (  0.326,  -0.072,   0.486)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.349,  -0.122,   0.183)  ( -0.349,  -0.122,   0.183)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.641,   2.715,  -3.627)  ( -0.641,   2.716,  -3.627)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 17       ( -0.002,  -0.006,  -0.010)  ( -0.001,  -0.005,  -0.007)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.770,  -0.513,   1.530)  ( -0.769,  -0.513,   1.533)  ( 0.05,  0.01,  0.16)
167:     angle   (  0.484,  -0.101,   0.210)  (  0.485,  -0.100,   0.210)  ( 0.02,  0.00,  0.00)
167:     strbnd  (  0.903,  -0.019,  -1.089)  (  0.903,  -0.019,  -1.089)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.167,  -0.152,  -0.135)  ( -0.167,  -0.152,  -0.135)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.453,   0.779,  -0.526)  ( -0.453,   0.779,  -0.526)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 18       (  0.009,  -0.007,  -0.006)  (  0.013,  -0.006,  -0.005)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.186,  -0.031,  -0.038)  ( -0.183,  -0.031,  -0.038)  ( 0.06,  0.00,  0.00)
167:     angle   ( -0.001,  -3.690,   3.012)  ( -0.001,  -3.689,   3.012)  ( 0.00,  0.01,  0.01)
167:     strbnd  ( -0.238,  -0.555,   0.057)  ( -0.238,  -0.555,   0.057)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.181,   0.195,   0.704)  ( -0.181,   0.195,   0.704)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.615,   4.074,  -3.740)  (  0.615,   4.074,  -3.740)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 19       (  0.019,  -0.041,   0.008)  (  0.020,  -0.038,   0.009)  ( 0.00,  0.01,  0.00)
167:     bond    (  0.677,  -1.445,   0.292)  (  0.678,  -1.442,   0.292)  ( 0.04,  0.19,  0.00)
167:     angle   ( -1.005,  -1.216,  -3.671)  ( -1.005,  -1.216,  -3.670)  ( 0.04,  0.01,  0.02)
167:     strbnd  ( -1.742,  -0.148,  -1.789)  ( -1.742,  -0.148,  -1.789)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.210,   0.090,  -0.042)  (  0.210,   0.090,  -0.042)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.877,   2.677,   5.218)  (  1.877,   2.677,   5.218)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 20       ( -0.005,  -0.001,   0.002)  ( -0.002,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.952,  -0.106,   0.112)  ( -0.948,  -0.106,   0.112)  ( 0.32,  0.00,  0.00)
167:     angle   (  0.138,  -5.030,  -3.586)  (  0.138,  -5.030,  -3.585)  ( 0.00,  0.01,  0.02)
167:     strbnd  (  0.526,  -1.605,  -1.670)  (  0.526,  -1.605,  -1.670)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.072,  -0.421,   0.214)  (  0.072,  -0.421,   0.214)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.210,   7.161,   4.932)  (  0.210,   7.161,   4.932)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 21       (  0.018,  -0.034,   0.016)  (  0.019,  -0.031,   0.017)  ( 0.00,  0.01,  0.00)
167:     bond    (  0.310,  -0.673,   0.202)  (  0.310,  -0.671,   0.202)  ( 0.02,  0.18,  0.00)
167:     angle   (  0.167,  -1.396,  -4.895)  (  0.167,  -1.396,  -4.895)  ( 0.01,  0.01,  0.01)
167:     strbnd  (  0.282,  -0.193,  -0.326)  (  0.282,  -0.193,  -0.326)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.415,  -0.240,  -0.161)  ( -0.415,  -0.240,  -0.161)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.326,   2.469,   5.196)  ( -0.326,   2.469,   5.196)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 22       (  0.021,   0.013,   0.021)  (  0.022,   0.015,   0.022)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.705,  -1.304,  -1.176)  ( -0.704,  -1.303,  -1.174)  ( 0.03,  0.12,  0.11)
167:     angle   (  0.266,   0.180,  -0.359)  (  0.266,   0.180,  -0.359)  ( 0.01,  0.00,  0.01)
167:     strbnd  (  0.688,   1.241,   0.578)  (  0.688,   1.241,   0.578)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.120,   0.072,  -0.007)  ( -0.120,   0.072,  -0.007)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.109,  -0.174,   0.986)  ( -0.109,  -0.174,   0.986)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 23       ( -0.000,  -0.006,  -0.006)  (  0.003,  -0.006,  -0.006)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.046,  -0.002,   0.007)  ( -0.043,  -0.002,   0.007)  ( 0.02,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xsi_9ne.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xtu_bng.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xtv_mc3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xu3_xu3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xud_dme.sdf
166:     angle   (  6.274,   3.725,  -3.075)  (  6.274,   3.725,  -3.075)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -0.199,  -0.342,  -1.642)  ( -0.199,  -0.342,  -1.642)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.477,  -0.975,  -0.284)  ( -0.477,  -0.975,  -0.284)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 24       ( 10.798,  13.827,  -7.791)  ( 10.799,  13.829,  -7.790)  ( 0.01,  0.01,  0.02)
166:     bond    ( -5.076,   7.231,  -5.839)  ( -5.075,   7.232,  -5.838)  ( 0.01,  0.02,  0.02)
166:     angle   ( 15.920,   8.574,  -3.218)  ( 15.920,   8.575,  -3.218)  ( 0.00,  0.00,  0.01)
166:     strbnd  (  0.876,  -0.556,   0.755)  (  0.876,  -0.556,   0.755)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.922,  -1.422,   0.511)  ( -0.922,  -1.422,   0.511)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: ok 16 # gradients 
166: ok 17 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
167:     angle   ( -0.685,  -1.089,  -4.223)  ( -0.685,  -1.089,  -4.222)  ( 0.00,  0.04,  0.01)
167:     strbnd  ( -0.401,   0.150,  -0.337)  ( -0.401,   0.150,  -0.337)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.006,  -0.562,  -0.156)  ( -0.006,  -0.562,  -0.156)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.137,   1.497,   4.703)  (  1.137,   1.497,   4.703)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 24       (  0.001,   0.001,  -0.010)  (  0.002,   0.002,  -0.007)  ( 0.00,  0.00,  0.00)
167:     bond    (  0.241,   0.312,  -0.823)  (  0.241,   0.312,  -0.820)  ( 0.01,  0.01,  0.23)
167:     angle   (  6.530,  -0.021,   1.914)  (  6.530,  -0.020,   1.914)  ( 0.01,  0.00,  0.01)
167:     strbnd  (  1.607,  -0.705,   1.140)  (  1.607,  -0.705,   1.140)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.241,   0.199,   0.005)  ( -0.241,   0.199,   0.005)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -8.135,   0.216,  -2.247)  ( -8.135,   0.216,  -2.246)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 25       (  0.001,  -0.003,  -0.006)  (  0.002,  -0.000,  -0.005)  ( 0.00,  0.00,  0.00)
167:     bond    (  0.584,  -1.508,   0.127)  (  0.584,  -1.505,   0.127)  ( 0.03,  0.19,  0.00)
167:     angle   (  3.179,   1.068,  -1.976)  (  3.180,   1.068,  -1.975)  ( 0.02,  0.01,  0.03)
167:     strbnd  (  1.545,   1.128,  -0.502)  (  1.545,   1.128,  -0.502)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.227,   0.048,  -0.478)  (  0.227,   0.048,  -0.478)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -5.534,  -0.739,   2.823)  ( -5.534,  -0.739,   2.823)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 26       (  0.000,  -0.022,  -0.005)  (  0.001,  -0.019,  -0.005)  ( 0.00,  0.01,  0.00)
167:     bond    ( -0.113,   0.424,  -0.059)  ( -0.112,   0.427,  -0.059)  ( 0.00,  0.13,  0.00)
167:     angle   (  3.229,   1.089,   1.750)  (  3.230,   1.089,   1.750)  ( 0.01,  0.00,  0.03)
167:     strbnd  (  0.321,  -0.323,   0.447)  (  0.321,  -0.323,   0.447)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.630,   0.104,  -0.450)  (  0.630,   0.104,  -0.450)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -4.068,  -1.316,  -1.694)  ( -4.067,  -1.316,  -1.694)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 27       (  0.003,  -0.007,  -0.005)  (  0.004,  -0.006,  -0.002)  ( 0.00,  0.00,  0.00)
167:     bond    (  0.111,   0.117,  -0.410)  (  0.111,   0.118,  -0.407)  ( 0.00,  0.00,  0.12)
167:     angle   (  3.583,   2.700,   1.758)  (  3.583,   2.701,   1.758)  ( 0.01,  0.02,  0.00)
167:     strbnd  (  0.267,   0.398,   0.009)  (  0.267,   0.398,   0.009)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.217,  -0.162,   0.012)  (  0.217,  -0.162,   0.012)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -4.174,  -3.061,  -1.375)  ( -4.174,  -3.061,  -1.375)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 28       ( -0.011,  -0.006,   0.002)  ( -0.007,  -0.005,   0.002)  ( 0.00,  0.00,  0.00)
167:     bond    (  1.690,  -0.082,  -0.103)  (  1.693,  -0.082,  -0.103)  ( 0.20,  0.00,  0.00)
167:     angle   (  0.030,   0.569,   0.034)  (  0.030,   0.569,   0.035)  ( 0.00,  0.03,  0.00)
167:     strbnd  ( -1.242,   0.339,   0.433)  ( -1.242,   0.339,   0.433)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.001,  -0.311,   0.262)  (  0.001,  -0.311,   0.262)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.489,  -0.521,  -0.624)  ( -0.489,  -0.521,  -0.624)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: ok 10 # gradients 
167: ok 11 # energy 
167: ----------------------------------------------------------------------------------------
167:                                                                                         
167:   VALIDATE GRADIENTS : surdox02.xyz
167:                                                                                         
167:                                                                                         
167: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
167: ----------------------------------------------------------------------------------------
163:     angle   (141.394, -102.369,  34.491)  (141.406, -102.358,  34.492)  ( 0.01,  0.01,  0.00)
163:     torsion (  1.153,  -0.854,  -0.677)  (  1.153,  -0.853,  -0.674)  ( 0.02,  0.04,  0.20)
163:     vdw     ( -2.776,  -1.173,  -0.040)  ( -2.776,  -1.173,  -0.040)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       (298.204, 971.668, -229.992)  (298.273, 971.756, -229.978)  ( 0.02,  0.01,  0.01)
163:     bond    (395.657, 810.891, -170.088)  (395.712, 810.968, -170.079)  ( 0.01,  0.01,  0.01)
163:     angle   (-92.800, 152.605, -73.608)  (-92.786, 152.616, -73.606)  ( 0.02,  0.01,  0.00)
163:     torsion ( -3.841,   4.521,  15.987)  ( -3.840,   4.521,  15.990)  ( 0.01,  0.01,  0.02)
163:     vdw     ( -0.926,   3.157,  -2.084)  ( -0.926,   3.158,  -2.084)  ( 0.02,  0.00,  0.00)
163:     electro (  0.113,   0.494,  -0.199)  (  0.113,   0.494,  -0.199)  ( 0.00,  0.00,  0.00)
163:  3       (-504.679, 126.706, -65.120)  (-504.604, 126.804, -65.117)  ( 0.01,  0.08,  0.00)
163:     bond    (-438.510, -79.388, -48.304)  (-438.448, -79.301, -48.304)  ( 0.01,  0.11,  0.00)
163:     angle   (-64.271, 207.170, -14.900)  (-64.258, 207.181, -14.900)  ( 0.02,  0.01,  0.00)
163:     torsion ( -0.850,   2.083,  -2.639)  ( -0.850,   2.083,  -2.637)  ( 0.00,  0.00,  0.10)
163:     vdw     ( -0.986,  -2.347,   0.473)  ( -0.986,  -2.346,   0.473)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.063,  -0.812,   0.250)  ( -0.063,  -0.812,   0.250)  ( 0.00,  0.00,  0.00)
163:  4       ( 62.544, 529.216, -221.024)  ( 62.642, 529.276, -221.001)  ( 0.16,  0.01,  0.01)
163:     bond    ( 45.030, 519.764, -212.292)  ( 45.117, 519.814, -212.273)  ( 0.19,  0.01,  0.01)
163:     angle   ( 18.074,   9.875,  -5.510)  ( 18.085,   9.885,  -5.509)  ( 0.06,  0.10,  0.03)
163:     torsion (  1.294,  -0.313,  -3.148)  (  1.294,  -0.312,  -3.146)  ( 0.01,  0.02,  0.07)
163:     vdw     ( -1.854,  -0.110,  -0.074)  ( -1.854,  -0.110,  -0.074)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (-22.770, 472.854, -228.617)  (-22.763, 472.872, -228.611)  ( 0.03,  0.00,  0.00)
163:     bond    ( 13.426, 481.568, -210.659)  ( 13.429, 481.586, -210.653)  ( 0.02,  0.00,  0.00)
163:     angle   (-28.169,  -1.322,  -4.817)  (-28.165,  -1.322,  -4.817)  ( 0.02,  0.00,  0.00)
163:     torsion (  2.580,  -5.856, -13.223)  (  2.580,  -5.856, -13.223)  ( 0.00,  0.00,  0.00)
163:     vdw     (-10.608,  -1.537,   0.082)  (-10.607,  -1.537,   0.082)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       (-928.350, -469.312,  34.230)  (-928.250, -469.218,  34.249)  ( 0.01,  0.02,  0.06)
163:     bond    (-902.944, -431.198,  18.869)  (-902.856, -431.115,  18.883)  ( 0.01,  0.02,  0.07)
163:     angle   (-25.680, -34.846,   9.724)  (-25.668, -34.835,   9.726)  ( 0.05,  0.03,  0.02)
163:     torsion ( -0.760,   1.680,   3.423)  ( -0.760,   1.680,   3.427)  ( 0.00,  0.02,  0.11)
163:     vdw     (  1.033,  -4.949,   2.213)  (  1.033,  -4.948,   2.213)  ( 0.03,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  7       (-549.758, 286.552, -158.102)  (-549.658, 286.644, -158.084)  ( 0.02,  0.03,  0.01)
163:     bond    (-597.550, 340.749, -188.434)  (-597.463, 340.828, -188.421)  ( 0.01,  0.02,  0.01)
163:     angle   ( 49.931, -59.660,  27.577)  ( 49.943, -59.648,  27.578)  ( 0.02,  0.02,  0.01)
163:     torsion ( -0.865,   0.514,   3.821)  ( -0.865,   0.514,   3.825)  ( 0.00,  0.02,  0.09)
163:     vdw     ( -1.273,   4.949,  -1.066)  ( -1.273,   4.949,  -1.066)  ( 0.02,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       (-34.667,  32.173,  -9.961)  (-34.567,  32.238,  -9.950)  ( 0.29,  0.20,  0.12)
163:     bond    (-46.132, -26.291,   2.900)  (-46.046, -26.238,   2.907)  ( 0.19,  0.20,  0.24)
163:     angle   (  9.004,  61.588, -19.522)  (  9.017,  61.600, -19.521)  ( 0.14,  0.02,  0.01)
163:     torsion ( -0.650,   1.553,   4.817)  ( -0.650,   1.553,   4.820)  ( 0.00,  0.02,  0.06)
163:     vdw     (  2.823,  -4.536,   1.777)  (  2.823,  -4.536,   1.777)  ( 0.00,  0.00,  0.00)
163:     electro (  0.289,  -0.142,   0.068)  (  0.289,  -0.142,   0.068)  ( 0.00,  0.00,  0.00)
163:  9       (334.527, 813.316, -260.363)  (334.621, 813.379, -260.342)  ( 0.03,  0.01,  0.01)
163:     bond    (341.270, 863.401, -379.423)  (341.355, 863.451, -379.407)  ( 0.02,  0.01,  0.00)
163:     angle   ( -9.599, -45.337, 140.803)  ( -9.591, -45.324, 140.807)  ( 0.09,  0.03,  0.00)
163:     torsion (  3.306,  -5.368, -20.899)  (  3.306,  -5.367, -20.897)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.449,   0.620,  -0.845)  ( -0.449,   0.620,  -0.845)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 10       ( 50.138, -59.673,  18.059)  ( 50.240, -59.609,  18.073)  ( 0.20,  0.11,  0.08)
163:     bond    ( 48.676, -141.413,  55.636)  ( 48.765, -141.363,  55.645)  ( 0.18,  0.04,  0.02)
163:     angle   (  3.823,  83.323, -28.467)  (  3.835,  83.336, -28.465)  ( 0.32,  0.02,  0.01)
163:     torsion (  0.572,  -1.857,  -4.267)  (  0.572,  -1.856,  -4.265)  ( 0.00,  0.02,  0.07)
163:     vdw     ( -2.723,   0.223,  -4.741)  ( -2.723,   0.223,  -4.740)  ( 0.01,  0.01,  0.00)
163:     electro ( -0.209,   0.051,  -0.103)  ( -0.209,   0.051,  -0.103)  ( 0.00,  0.00,  0.00)
163: 11       (-392.354,  12.929, -110.427)  (-392.268,  13.023, -110.411)  ( 0.02,  0.73,  0.02)
163:     bond    (-182.246, -41.558, -12.366)  (-182.180, -41.484, -12.356)  ( 0.04,  0.18,  0.09)
163:     angle   (-211.321,  57.327, -98.054)  (-211.301,  57.348, -98.050)  ( 0.01,  0.04,  0.00)
163:     torsion (  1.783,  -2.219,   2.344)  (  1.783,  -2.219,   2.347)  ( 0.00,  0.01,  0.11)
163:     vdw     ( -0.570,  -0.621,  -2.351)  ( -0.570,  -0.621,  -2.351)  ( 0.01,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (-21.184, -22.404,  -4.521)  (-21.177, -22.378,  -4.516)  ( 0.03,  0.11,  0.10)
163:     bond    ( -0.630, -11.847,   4.471)  ( -0.630, -11.822,   4.474)  ( 0.01,  0.21,  0.08)
163:     angle   (-18.792,   0.237,  -2.020)  (-18.786,   0.237,  -2.020)  ( 0.03,  0.00,  0.01)
163:     torsion ( -0.802,   2.323,   6.024)  ( -0.802,   2.323,   6.025)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.842, -12.514, -13.245)  ( -0.841, -12.513, -13.245)  ( 0.07,  0.00,  0.00)
163:     electro ( -0.117,  -0.603,   0.249)  ( -0.117,  -0.603,   0.249)  ( 0.00,  0.00,  0.00)
163: 13       (209.974,  32.014,  22.390)  (210.050,  32.098,  22.401)  ( 0.04,  0.26,  0.05)
163:     bond    ( 81.425, 122.507, -29.385)  ( 81.485, 122.580, -29.377)  ( 0.07,  0.06,  0.03)
163:     angle   (130.006, -87.869,  44.052)  (130.023, -87.857,  44.053)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.675,   1.611,   4.879)  ( -0.675,   1.612,   4.882)  ( 0.00,  0.02,  0.05)
163:     vdw     ( -0.783,  -4.237,   2.844)  ( -0.783,  -4.237,   2.844)  ( 0.02,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 14       (-10.127,  14.003,  -6.537)  (-10.121,  14.029,  -6.533)  ( 0.06,  0.19,  0.06)
163:     bond    (  0.208,  14.769,  -4.898)  (  0.208,  14.795,  -4.895)  ( 0.00,  0.18,  0.06)
163:     angle   (-19.794,  -0.500,  -2.352)  (-19.788,  -0.500,  -2.352)  ( 0.03,  0.00,  0.00)
163:     torsion (  0.019,  -0.049,  -0.149)  (  0.019,  -0.049,  -0.148)  ( 0.00,  0.00,  0.01)
163:     vdw     (  9.632,  -0.733,   1.059)  (  9.632,  -0.733,   1.059)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.192,   0.517,  -0.197)  ( -0.192,   0.517,  -0.197)  ( 0.00,  0.00,  0.00)
163: 15       (-36.479,  39.621, -17.440)  (-36.462,  39.631, -17.437)  ( 0.05,  0.02,  0.01)
163:     bond    (-39.986,  24.828, -13.708)  (-39.972,  24.834, -13.706)  ( 0.03,  0.02,  0.01)
163:     angle   ( 30.703,  43.547, -10.639)  ( 30.705,  43.551, -10.639)  ( 0.01,  0.01,  0.00)
163:     torsion (  0.156,  -0.381,  -1.147)  (  0.156,  -0.381,  -1.146)  ( 0.00,  0.00,  0.04)
163:     vdw     (-27.352, -28.373,   8.054)  (-27.352, -28.372,   8.054)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 16       ( 52.310, -52.160, 139.358)  ( 52.367, -52.107, 139.378)  ( 0.11,  0.10,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xuf_tz4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xuj_tz5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xv1_eca.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xvd_as6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xvn_kls.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xvq_9ds.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xvu_9dn.sdf
167:  1       (  0.013,  -0.116,  -0.042)  (  0.127,  -0.099,  -0.306)  ( 0.15,  0.20,  1.11)
167:     bond    (  2.996,  -0.181,   5.906)  (  3.000,  -0.170,   5.908)  ( 0.14,  0.21,  0.03)
167:     angle   ( -0.615,   0.021,  -2.208)  ( -0.614,   0.022,  -2.207)  ( 0.09,  0.00,  0.06)
167:     strbnd  ( 31.994,  -0.001,  12.086)  ( 31.994,  -0.002,  12.085)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.329,   0.014,  -0.811)  (  0.329,   0.014,  -0.811)  ( 0.00,  0.00,  0.01)
167:     oop     ( -0.655,  -0.027,   1.614)  ( -0.546,  -0.023,   1.348)  ( 7.08,  0.01, 16.52)
167:     vdw     ( -1.367,   0.002,  -0.677)  ( -1.367,   0.002,  -0.677)  ( 0.00,  0.00,  0.00)
167:     electro (-32.669,   0.057, -15.952)  (-32.669,   0.057, -15.952)  ( 0.00,  0.00,  0.00)
167:  2       (  4.052,   0.153,  -9.314)  (  3.390,   0.134,  -7.713)  (16.34,  0.28, 17.19)
167:     bond    (-24.654,  -0.013,  -8.873)  (-24.650,  -0.006,  -8.872)  ( 0.02,  0.01,  0.01)
167:     angle   ( 26.151,  -0.059,  14.095)  ( 26.154,  -0.057,  14.095)  ( 0.01,  0.01,  0.00)
167:     strbnd  ( -2.586,   0.026,  -2.810)  ( -2.588,   0.025,  -2.810)  ( 0.08,  0.00,  0.00)
167:     torsion (  1.175,   0.034,  -1.921)  (  1.175,   0.034,  -1.921)  ( 0.01,  0.00,  0.02)
167:     oop     (  3.967,   0.165,  -9.805)  (  3.300,   0.138,  -8.205)  (16.80,  0.44, 16.32)
167:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:  3       ( -8.105,  -1.860,  15.243)  ( -7.466,  -1.785,  13.960)  ( 7.89,  4.01,  8.42)
167:     bond    (  3.669,  20.808,   1.591)  (  3.675,  20.815,   1.593)  ( 0.15,  0.03,  0.11)
167:     angle   (-16.152,   8.087,  -6.190)  (-16.150,   8.089,  -6.189)  ( 0.01,  0.02,  0.01)
167:     strbnd  (-15.060, -18.986,  -5.342)  (-15.060, -18.986,  -5.342)  ( 0.00,  0.00,  0.00)
167:     torsion ( -4.535,   0.373,  10.304)  ( -4.535,   0.373,  10.304)  ( 0.00,  0.00,  0.00)
167:     oop     ( -4.284,  -0.802,   8.672)  ( -3.652,  -0.736,   7.386)  (14.76,  5.30, 14.82)
167:     vdw     (  4.304,  -0.146,   0.652)  (  4.304,  -0.146,   0.652)  ( 0.00,  0.00,  0.00)
167:     electro ( 23.952, -11.196,   5.555)  ( 23.952, -11.196,   5.555)  ( 0.00,  0.00,  0.00)
167:  4       (  0.007,   0.012,  -0.004)  (  0.009,   0.018,  -0.003)  ( 0.00,  0.01,  0.00)
167:     bond    (  1.917,   4.448,  -1.522)  (  1.918,   4.454,  -1.521)  ( 0.06,  0.13,  0.05)
167:     angle   (  0.657,  -0.203,   0.234)  (  0.657,  -0.203,   0.234)  ( 0.04,  0.00,  0.01)
167:     strbnd  (  0.365,   0.126,   0.367)  (  0.365,   0.126,   0.367)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -4.311,  -0.150,  -0.658)  ( -4.311,  -0.150,  -0.658)  ( 0.00,  0.00,  0.00)
167:     electro (  1.379,  -4.208,   1.576)  (  1.379,  -4.208,   1.576)  ( 0.00,  0.00,  0.00)
167:  5       (  3.820,   0.567,  -5.159)  (  3.587,   0.555,  -4.838)  ( 6.10,  0.68,  6.22)
167:     bond    (  2.147,   0.095,   1.594)  (  2.150,   0.095,   1.596)  ( 0.15,  0.00,  0.11)
167:     angle   (  0.148,  -1.267,  -0.124)  (  0.148,  -1.266,  -0.124)  ( 0.00,  0.05,  0.00)
167:     strbnd  (  0.091,   0.467,  -0.005)  (  0.091,   0.467,  -0.005)  ( 0.00,  0.00,  0.00)
167:     torsion (  2.813,  -0.764,  -3.745)  (  2.813,  -0.764,  -3.745)  ( 0.00,  0.00,  0.00)
167:     oop     (  1.624,   0.265,  -2.204)  (  1.388,   0.253,  -1.885)  (14.55,  0.34, 14.48)
167:     vdw     ( -0.057,   0.074,  -0.025)  ( -0.057,   0.074,  -0.025)  ( 0.00,  0.00,  0.00)
167:     electro ( -2.946,   1.696,  -0.650)  ( -2.946,   1.696,  -0.650)  ( 0.00,  0.00,  0.00)
167:  6       (  2.250,   1.416,  -5.425)  (  2.135,   1.350,  -5.124)  ( 5.11,  4.70,  5.54)
167:     bond    (  2.991,  -4.569,   0.099)  (  2.993,  -4.566,   0.099)  ( 0.05,  0.07,  0.00)
167:     angle   (  2.530,   1.664,   0.255)  (  2.530,   1.664,   0.256)  ( 0.02,  0.01,  0.00)
167:     strbnd  ( -0.003,   0.684,   0.085)  ( -0.003,   0.684,   0.085)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.969,   0.522,  -5.191)  (  0.969,   0.522,  -5.191)  ( 0.00,  0.00,  0.00)
167:     oop     (  1.003,   0.606,  -2.371)  (  0.886,   0.536,  -2.071)  (11.64,  4.24, 12.66)
167:     vdw     (  0.745,   0.835,   0.378)  (  0.745,   0.835,   0.378)  ( 0.00,  0.00,  0.00)
167:     electro ( -5.985,   1.676,   1.320)  ( -5.985,   1.676,   1.320)  ( 0.00,  0.00,  0.00)
167:  7       ( -0.036,   0.074,   0.033)  ( -0.035,   0.080,   0.034)  ( 0.01,  0.04,  0.00)
167:     bond    (  1.920,  -4.294,  -1.614)  (  1.922,  -4.288,  -1.613)  ( 0.06,  0.13,  0.05)
167:     angle   (  0.658,   0.204,   0.241)  (  0.659,   0.204,   0.242)  ( 0.04,  0.00,  0.01)
167:     strbnd  (  0.365,  -0.134,   0.362)  (  0.365,  -0.134,   0.361)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -4.313,   0.123,  -0.654)  ( -4.313,   0.123,  -0.654)  ( 0.00,  0.00,  0.00)
167:     electro (  1.333,   4.175,   1.698)  (  1.333,   4.175,   1.698)  ( 0.00,  0.00,  0.00)
167:  8       ( -8.181,   1.288,  15.260)  ( -7.542,   1.275,  13.976)  ( 7.82,  1.04,  8.42)
167:     bond    (  3.840, -20.844,   0.957)  (  3.846, -20.837,   0.959)  ( 0.14,  0.03,  0.17)
167:     angle   (-16.070,  -8.077,  -6.428)  (-16.068,  -8.075,  -6.428)  ( 0.01,  0.02,  0.01)
167:     strbnd  (-15.264,  18.971,  -4.788)  (-15.265,  18.971,  -4.788)  ( 0.00,  0.00,  0.00)
167:     torsion ( -4.529,  -0.723,  10.288)  ( -4.529,  -0.723,  10.288)  ( 0.00,  0.00,  0.00)
167:     oop     ( -4.291,   0.502,   8.691)  ( -3.658,   0.480,   7.404)  (14.75,  1.09, 14.81)
167:     vdw     (  4.302,   0.173,   0.657)  (  4.302,   0.173,   0.657)  ( 0.00,  0.00,  0.00)
167:     electro ( 23.831,  11.286,   5.883)  ( 23.831,  11.286,   5.883)  ( 0.00,  0.00,  0.00)
167:  9       (  3.858,  -0.382,  -5.148)  (  3.625,  -0.380,  -4.827)  ( 6.04,  0.06,  6.24)
167:     bond    (  2.181,  -0.120,   1.616)  (  2.185,  -0.120,   1.617)  ( 0.14,  0.00,  0.11)
167:     angle   (  0.134,   1.267,  -0.087)  (  0.134,   1.267,  -0.087)  ( 0.00,  0.05,  0.00)
167:     strbnd  (  0.096,  -0.466,  -0.019)  (  0.096,  -0.466,  -0.019)  ( 0.00,  0.00,  0.00)
167:     torsion (  2.804,   0.904,  -3.721)  (  2.804,   0.904,  -3.721)  ( 0.00,  0.00,  0.00)
167:     oop     (  1.627,  -0.183,  -2.211)  (  1.390,  -0.183,  -1.891)  (14.53,  0.02, 14.45)
167:     vdw     ( -0.056,  -0.074,  -0.027)  ( -0.056,  -0.074,  -0.027)  ( 0.00,  0.00,  0.00)
167:     electro ( -2.928,  -1.708,  -0.700)  ( -2.928,  -1.708,  -0.700)  ( 0.00,  0.00,  0.00)
167: 10       (  2.285,  -1.211,  -5.461)  (  2.169,  -1.148,  -5.158)  ( 5.07,  5.24,  5.54)
167:     bond    (  2.961,   4.619,   0.235)  (  2.962,   4.623,   0.235)  ( 0.05,  0.07,  0.00)
167:     angle   (  2.550,  -1.645,   0.209)  (  2.551,  -1.645,   0.209)  ( 0.02,  0.01,  0.00)
167:     strbnd  (  0.004,  -0.685,   0.065)  (  0.004,  -0.685,   0.065)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.973,  -0.360,  -5.204)  (  0.973,  -0.360,  -5.204)  ( 0.00,  0.00,  0.00)
167:     oop     (  1.009,  -0.526,  -2.388)  (  0.892,  -0.466,  -2.086)  (11.64,  3.15, 12.65)
167:     vdw     (  0.753,  -0.837,   0.354)  (  0.753,  -0.837,   0.354)  ( 0.00,  0.00,  0.00)
167:     electro ( -5.967,  -1.778,   1.269)  ( -5.967,  -1.778,   1.269)  ( 0.00,  0.00,  0.00)
167: ok 12 # gradients 
167: ok 13 # energy 
167: ----------------------------------------------------------------------------------------
167:                                                                                         
167:   VALIDATE GRADIENTS : valwou.xyz
167:                                                                                         
167:                                                                                         
167: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
167: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xvw_9nr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xw0_9nf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xw1_9nv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xwd_lgs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xwo_slm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xx2_13c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xx3_tae.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xx4_13i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xx5_13n.sdf
167:  1       ( -0.011,   0.008,  -0.002)  ( -0.007,   0.009,   0.001)  ( 0.00,  0.00,  0.00)
167:     bond    (-15.066,   0.590,  13.579)  (-15.064,   0.590,  13.581)  ( 0.02,  0.02,  0.01)
167:     angle   (  8.215,  21.265,  -1.187)  (  8.215,  21.265,  -1.186)  ( 0.01,  0.00,  0.09)
167:     strbnd  ( 13.283,   1.537, -11.705)  ( 13.283,   1.537, -11.705)  ( 0.00,  0.01,  0.00)
167:     torsion (  0.469,  -0.818,  -0.491)  (  0.469,  -0.818,  -0.491)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (-16.349, -14.076,  -9.889)  (-16.349, -14.076,  -9.889)  ( 0.00,  0.00,  0.00)
167:     electro (  9.439,  -8.489,   9.691)  (  9.439,  -8.489,   9.691)  ( 0.00,  0.00,  0.00)
167:  2       (  0.049,  -0.041,  -0.050)  (  0.056,  -0.038,  -0.044)  ( 0.03,  0.01,  0.03)
167:     bond    ( -1.989,  -5.973,   5.396)  ( -1.982,  -5.971,   5.401)  ( 0.31,  0.05,  0.09)
167:     angle   ( 12.171,  18.575,  -1.290)  ( 12.172,  18.576,  -1.289)  ( 0.01,  0.01,  0.12)
167:     strbnd  ( -6.382, -16.381,   1.658)  ( -6.383, -16.382,   1.658)  ( 0.01,  0.00,  0.03)
167:     torsion (  1.307,  -0.613,  -0.923)  (  1.307,  -0.613,  -0.923)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -4.101,   3.444,  -3.337)  ( -4.101,   3.444,  -3.336)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.957,   0.907,  -1.554)  ( -0.957,   0.907,  -1.554)  ( 0.00,  0.00,  0.00)
167:  3       ( -0.003,   0.017,   0.026)  ( -0.002,   0.019,   0.030)  ( 0.00,  0.00,  0.01)
167:     bond    (  0.886,  -2.327,  -4.505)  (  0.886,  -2.325,  -4.501)  ( 0.02,  0.05,  0.10)
167:     angle   ( -9.163,  -7.934,   2.295)  ( -9.162,  -7.934,   2.295)  ( 0.01,  0.00,  0.00)
167:     strbnd  (  0.035,  -1.201,  -0.650)  (  0.035,  -1.201,  -0.650)  ( 0.00,  0.01,  0.01)
167:     torsion ( -1.075,   0.327,  -0.381)  ( -1.075,   0.327,  -0.381)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -2.954,   9.054,  -3.466)  ( -2.954,   9.054,  -3.466)  ( 0.00,  0.00,  0.00)
167:     electro ( 12.267,   2.097,   6.733)  ( 12.267,   2.097,   6.733)  ( 0.00,  0.00,  0.00)
167:  4       ( -0.066,   0.014,   0.013)  ( -0.060,   0.015,   0.014)  ( 0.04,  0.00,  0.00)
167:     bond    ( -1.807,   0.231,   0.350)  ( -1.802,   0.231,   0.350)  ( 0.32,  0.00,  0.01)
167:     angle   ( -2.264, -11.394,  -4.125)  ( -2.264, -11.394,  -4.124)  ( 0.00,  0.01,  0.01)
167:     strbnd  ( -1.121,  -0.534,   0.432)  ( -1.121,  -0.534,   0.432)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.219,   0.087,   1.070)  (  0.219,   0.087,   1.070)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -5.300,   9.953, -11.232)  ( -5.300,   9.953, -11.232)  ( 0.00,  0.00,  0.00)
167:     electro ( 10.207,   1.672,  13.519)  ( 10.207,   1.672,  13.519)  ( 0.00,  0.00,  0.00)
167:  5       (  0.024,  -0.012,   0.001)  (  0.031,  -0.008,   0.006)  ( 0.02,  0.00,  0.00)
167:     bond    ( -2.431,  13.799,  -9.128)  ( -2.426,  13.802,  -9.124)  ( 0.21,  0.02,  0.05)
167:     angle   (-13.514, -12.442,   3.433)  (-13.512, -12.439,   3.435)  ( 0.02,  0.02,  0.07)
167:     strbnd  ( 10.215,   7.073,   7.282)  ( 10.214,   7.072,   7.280)  ( 0.01,  0.02,  0.02)
167:     torsion ( -0.178,  -0.134,  -0.164)  ( -0.178,  -0.134,  -0.164)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -3.406,   1.106,   0.053)  ( -3.406,   1.106,   0.053)  ( 0.00,  0.00,  0.00)
167:     electro (  9.338,  -9.414,  -1.474)  (  9.338,  -9.414,  -1.474)  ( 0.00,  0.00,  0.00)
167:  6       ( -0.012,   0.002,   0.003)  ( -0.008,   0.003,   0.004)  ( 0.01,  0.00,  0.00)
167:     bond    (  1.492,  -0.032,   0.115)  (  1.496,  -0.032,   0.116)  ( 0.29,  0.00,  0.00)
167:     angle   (  0.143,   3.198,  -0.968)  (  0.143,   3.199,  -0.968)  ( 0.00,  0.02,  0.08)
167:     strbnd  (  0.299,   1.855,  -1.309)  (  0.299,   1.855,  -1.309)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.068,   0.501,   1.024)  ( -0.068,   0.501,   1.024)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.080,  -0.124,  -0.022)  (  0.080,  -0.124,  -0.022)  ( 0.00,  0.00,  0.00)
167:     electro ( -1.958,  -5.395,   1.163)  ( -1.958,  -5.395,   1.163)  ( 0.00,  0.00,  0.00)
167:  7       ( -0.003,   0.001,  -0.011)  ( -0.002,   0.003,  -0.008)  ( 0.00,  0.00,  0.00)
167:     bond    (  1.037,  -1.995,  -2.372)  (  1.037,  -1.994,  -2.370)  ( 0.04,  0.08,  0.10)
167:     angle   (  7.753,   4.193,  -0.134)  (  7.753,   4.193,  -0.134)  ( 0.01,  0.01,  0.00)
167:     strbnd  ( -1.461,   4.844,   2.139)  ( -1.461,   4.844,   2.139)  ( 0.01,  0.00,  0.00)
167:     torsion ( -0.878,  -0.004,  -0.381)  ( -0.878,  -0.004,  -0.381)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -4.671,  -0.499,  -3.122)  ( -4.671,  -0.499,  -3.122)  ( 0.00,  0.00,  0.00)
167:     electro ( -1.784,  -6.538,   3.859)  ( -1.784,  -6.538,   3.859)  ( 0.00,  0.00,  0.00)
167:  8       ( -0.032,  -0.009,  -0.062)  ( -0.026,  -0.003,  -0.056)  ( 0.02,  0.01,  0.04)
167:     bond    ( 28.388,  -6.583,  25.817)  ( 28.392,  -6.579,  25.822)  ( 0.01,  0.07,  0.02)
167:     angle   ( 20.852, -42.145,   9.628)  ( 20.855, -42.143,   9.631)  ( 0.01,  0.01,  0.03)
167:     strbnd  (-22.777,  13.988,  -5.015)  (-22.779,  13.987,  -5.016)  ( 0.01,  0.01,  0.03)
167:     torsion (  0.321,   0.437,   0.397)  (  0.321,   0.437,   0.397)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -4.001,  -4.773,  -0.834)  ( -4.001,  -4.773,  -0.833)  ( 0.00,  0.00,  0.01)
167:     electro (-22.814,  39.068, -30.055)  (-22.814,  39.068, -30.055)  ( 0.00,  0.00,  0.00)
167:  9       ( -0.012,  -0.016,   0.015)  ( -0.010,  -0.015,   0.019)  ( 0.00,  0.00,  0.01)
167:     bond    (  4.898,   2.108, -13.219)  (  4.899,   2.108, -13.215)  ( 0.01,  0.00,  0.03)
167:     angle   (-15.468,  14.840,  -3.366)  (-15.467,  14.841,  -3.366)  ( 0.00,  0.01,  0.00)
167:     strbnd  (  2.100,  -0.558,   3.958)  (  2.100,  -0.557,   3.957)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.237,   0.413,  -0.022)  ( -0.237,   0.413,  -0.022)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  2.287,  -9.907,  -2.057)  (  2.287,  -9.907,  -2.057)  ( 0.01,  0.00,  0.00)
167:     electro (  6.408,  -6.914,  14.722)  (  6.408,  -6.914,  14.722)  ( 0.00,  0.00,  0.00)
167: 10       (  0.005,   0.002,  -0.008)  (  0.006,   0.006,  -0.007)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.622,   8.610,  -1.046)  ( -0.621,   8.614,  -1.046)  ( 0.00,  0.05,  0.01)
167:     angle   ( -2.836,  -0.584,  -3.128)  ( -2.836,  -0.584,  -3.128)  ( 0.03,  0.00,  0.03)
167:     strbnd  (  3.566,  -9.587,   2.403)  (  3.565,  -9.587,   2.403)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.022,  -0.015,  -0.134)  (  0.022,  -0.015,  -0.134)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -6.627,  -4.176,  -5.962)  ( -6.626,  -4.176,  -5.962)  ( 0.00,  0.00,  0.00)
167:     electro (  6.502,   5.754,   7.859)  (  6.502,   5.754,   7.859)  ( 0.00,  0.00,  0.00)
167: 11       (  0.002,   0.013,   0.066)  (  0.007,   0.019,   0.072)  ( 0.00,  0.01,  0.04)
167:     bond    (  1.773,   2.387,  -5.000)  (  1.776,   2.390,  -4.997)  ( 0.16,  0.12,  0.06)
167:     angle   (  0.727,  15.938,  -2.297)  (  0.730,  15.941,  -2.294)  ( 0.20,  0.02,  0.12)
167:     strbnd  (  3.999,   0.582,   7.350)  (  3.998,   0.581,   7.349)  ( 0.02,  0.04,  0.01)
167:     torsion (  0.269,  -0.168,  -0.155)  (  0.269,  -0.168,  -0.155)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (-12.090,  -5.836, -10.984)  (-12.090,  -5.836, -10.983)  ( 0.00,  0.00,  0.00)
167:     electro (  5.324, -12.890,  11.152)  (  5.324, -12.890,  11.152)  ( 0.00,  0.00,  0.00)
167: 12       (  0.053,   0.047,   0.012)  (  0.059,   0.054,   0.016)  ( 0.03,  0.03,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xya_7l4.sdf
164:  1       (  0.094,  -0.054,   0.252)  (  0.101,  -0.049,   0.257)  ( 0.07,  0.03,  0.12)
164:     bond    (  0.405,   3.441,   0.242)  (  0.412,   3.445,   0.242)  ( 0.28,  0.13,  0.00)
164:     angle   ( -0.409,   0.650,  -0.195)  ( -0.408,   0.652,  -0.195)  ( 0.06,  0.11,  0.00)
164:     strbnd  ( -0.322,  -4.041,  -0.254)  ( -0.322,  -4.042,  -0.254)  ( 0.01,  0.03,  0.00)
164:     torsion ( -0.032,  -0.018,   0.320)  ( -0.032,  -0.018,   0.321)  ( 0.00,  0.00,  0.03)
164:     oop     (  0.002,   0.001,  -0.014)  (  0.001,   0.001,  -0.011)  ( 0.00,  0.00,  0.01)
164:     vdw     ( -0.047,  -0.020,  -0.019)  ( -0.047,  -0.020,  -0.019)  ( 0.00,  0.00,  0.00)
164:     electro (  0.497,  -0.068,   0.172)  (  0.497,  -0.068,   0.172)  ( 0.00,  0.00,  0.00)
164:  2       ( -0.202,  -0.384,   0.053)  ( -0.198,  -0.377,   0.070)  ( 0.09,  0.28,  0.09)
164:     bond    (  3.541,  -2.137,   0.264)  (  3.546,  -2.131,   0.265)  ( 0.15,  0.30,  0.00)
164:     angle   (  1.746,   1.275,   0.298)  (  1.748,   1.277,   0.298)  ( 0.10,  0.14,  0.00)
164:     strbnd  ( -2.090,   1.285,  -0.146)  ( -2.091,   1.285,  -0.146)  ( 0.05,  0.01,  0.00)
164:     torsion (  0.033,   0.016,  -0.297)  (  0.034,   0.016,  -0.296)  ( 0.00,  0.00,  0.04)
164:     oop     (  0.010,   0.005,  -0.088)  (  0.009,   0.004,  -0.072)  ( 0.00,  0.00,  0.14)
164:     vdw     ( -3.041,  -0.539,  -0.132)  ( -3.041,  -0.539,  -0.132)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.403,  -0.288,   0.154)  ( -0.403,  -0.288,   0.154)  ( 0.00,  0.00,  0.00)
164:  3       ( -0.110,   0.062,   0.058)  ( -0.093,   0.078,  -0.064)  ( 0.18,  0.10,  0.70)
164:     bond    ( 10.808,   8.532,   1.851)  ( 10.812,   8.538,   1.851)  ( 0.04,  0.07,  0.01)
164:     angle   ( -1.280, -12.576,  -1.628)  ( -1.278, -12.574,  -1.628)  ( 0.16,  0.02,  0.03)
164:     strbnd  ( -2.662,  -2.231,  -0.989)  ( -2.662,  -2.232,  -0.989)  ( 0.02,  0.03,  0.01)
164:     torsion ( -0.153,   0.061,   1.120)  ( -0.153,   0.061,   1.121)  ( 0.00,  0.00,  0.09)
164:     oop     ( -0.073,  -0.051,   0.782)  ( -0.062,  -0.043,   0.659)  ( 0.08,  0.04,  9.60)
164:     vdw     ( -8.513,   7.070,  -1.049)  ( -8.513,   7.070,  -1.049)  ( 0.00,  0.00,  0.00)
164:     electro (  1.764,  -0.743,  -0.030)  (  1.764,  -0.743,  -0.030)  ( 0.00,  0.00,  0.00)
164:  4       ( -0.088,  -0.102,  -0.382)  ( -0.110,  -0.122,  -0.055)  ( 0.20,  0.20, 12.48)
164:     bond    ( 20.270,  -4.350,   1.475)  ( 20.275,  -4.343,   1.476)  ( 0.02,  0.15,  0.01)
164:     angle   ( 12.458,  12.739,   3.115)  ( 12.460,  12.741,   3.115)  ( 0.02,  0.01,  0.01)
164:     strbnd  (-17.883,  -3.513,  -1.809)  (-17.884,  -3.514,  -1.809)  ( 0.01,  0.03,  0.00)
164:     torsion (  0.036,   0.065,  -1.684)  (  0.036,   0.065,  -1.683)  ( 0.00,  0.00,  0.04)
164:     oop     (  0.171,   0.149,  -1.871)  (  0.143,   0.122,  -1.545)  ( 0.48,  0.40, 17.39)
164:     vdw     (-12.241,  -4.949,   0.142)  (-12.241,  -4.949,   0.142)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.899,  -0.244,   0.249)  ( -2.899,  -0.244,   0.249)  ( 0.00,  0.00,  0.00)
164:  5       ( -0.068,  -0.017,  -0.125)  ( -0.065,  -0.011,  -0.110)  ( 0.02,  0.01,  0.19)
164:     bond    (  1.518, -21.327,  -9.249)  (  1.522, -21.323,  -9.244)  ( 0.25,  0.02,  0.05)
164:     angle   ( -8.489,  14.472,   7.087)  ( -8.487,  14.475,   7.088)  ( 0.02,  0.02,  0.02)
164:     strbnd  ( 11.557,   1.653,   2.302)  ( 11.556,   1.652,   2.302)  ( 0.01,  0.05,  0.02)
164:     torsion ( -0.182,   0.061,  -1.411)  ( -0.182,   0.061,  -1.410)  ( 0.00,  0.00,  0.02)
164:     oop     (  0.005,   0.003,  -0.040)  (  0.004,   0.002,  -0.031)  ( 0.00,  0.00,  0.04)
164:     vdw     ( -7.969,   3.574,   1.404)  ( -7.968,   3.574,   1.404)  ( 0.00,  0.00,  0.00)
164:     electro (  3.491,   1.548,  -0.219)  (  3.491,   1.548,  -0.219)  ( 0.00,  0.00,  0.00)
164:  6       (  0.024,  -0.167,   0.098)  (  0.036,  -0.156,   0.018)  ( 0.03,  0.18,  0.79)
164:     bond    ( -9.999,  -4.566,  -1.383)  ( -9.996,  -4.563,  -1.383)  ( 0.03,  0.06,  0.00)
164:     angle   (  0.723,  -4.226,  -0.076)  (  0.723,  -4.225,  -0.077)  ( 0.04,  0.03,  0.00)
164:     strbnd  ( 12.551,   6.889,   1.807)  ( 12.551,   6.889,   1.807)  ( 0.00,  0.01,  0.00)
164:     torsion (  0.080,   0.020,  -0.668)  (  0.080,   0.020,  -0.667)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.057,  -0.045,   0.532)  ( -0.048,  -0.038,   0.452)  ( 0.05,  0.03,  4.28)
164:     vdw     ( -3.283,   1.455,  -0.244)  ( -3.283,   1.455,  -0.244)  ( 0.00,  0.00,  0.00)
164:     electro (  0.009,   0.307,   0.130)  (  0.009,   0.307,   0.130)  ( 0.00,  0.00,  0.00)
164:  7       ( -0.002,   0.041,  -0.083)  (  0.003,   0.047,  -0.081)  ( 0.00,  0.02,  0.02)
164:     bond    ( 10.203,   5.616,  25.277)  ( 10.207,   5.620,  25.278)  ( 0.04,  0.07,  0.00)
164:     angle   (-14.427,   4.571, -29.699)  (-14.425,   4.572, -29.697)  ( 0.01,  0.03,  0.01)
164:     strbnd  (  1.147,  -1.228,  -0.703)  (  1.146,  -1.229,  -0.703)  ( 0.05,  0.04,  0.03)
164:     torsion (  1.193,  -0.605,  -0.282)  (  1.193,  -0.605,  -0.282)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  5.912,   0.367,   4.636)  (  5.912,   0.367,   4.636)  ( 0.00,  0.00,  0.00)
164:     electro ( -4.030,  -8.679,   0.687)  ( -4.030,  -8.679,   0.687)  ( 0.00,  0.00,  0.00)
164:  8       ( -0.124,  -0.019,  -0.296)  ( -0.123,  -0.017,  -0.295)  ( 0.01,  0.01,  0.03)
164:     bond    ( -0.019,  -0.836,   0.410)  ( -0.019,  -0.833,   0.411)  ( 0.00,  0.23,  0.03)
164:     angle   (  4.770,  -0.609,  -1.012)  (  4.771,  -0.609,  -1.012)  ( 0.01,  0.01,  0.04)
164:     strbnd  (  0.249,   0.128,  -1.740)  (  0.249,   0.128,  -1.740)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.173,  -0.083,  -0.176)  ( -0.173,  -0.083,  -0.176)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -4.951,   1.380,   2.222)  ( -4.951,   1.380,   2.222)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  9       ( -0.069,   0.131,  -0.224)  ( -0.068,   0.132,  -0.221)  ( 0.01,  0.01,  0.07)
164:     bond    ( -0.548,  -0.489,  -3.470)  ( -0.548,  -0.489,  -3.467)  ( 0.01,  0.00,  0.09)
164:     angle   (  2.634,  -1.083,  -0.264)  (  2.635,  -1.082,  -0.264)  ( 0.02,  0.05,  0.00)
164:     strbnd  (  0.419,  -1.396,   0.765)  (  0.419,  -1.396,   0.765)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.167,  -0.223,   0.058)  ( -0.167,  -0.223,   0.058)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.406,   3.323,   2.687)  ( -2.406,   3.323,   2.687)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 10       ( -0.074,  -0.055,  -0.182)  ( -0.069,  -0.050,  -0.177)  ( 0.04,  0.03,  0.10)
164:     bond    (-15.381,  12.089, -12.058)  (-15.377,  12.093, -12.053)  ( 0.02,  0.04,  0.04)
164:     angle   (  8.484, -11.406,  11.903)  (  8.487, -11.404,  11.904)  ( 0.03,  0.02,  0.01)
164:     strbnd  (  4.060,   9.673,   0.443)  (  4.059,   9.672,   0.443)  ( 0.02,  0.01,  0.02)
164:     torsion (  1.330,  -0.770,  -1.490)  (  1.330,  -0.769,  -1.490)  ( 0.01,  0.00,  0.01)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.699, -11.336,   1.328)  (  1.699, -11.336,   1.328)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.266,   1.694,  -0.308)  ( -0.266,   1.694,  -0.308)  ( 0.00,  0.00,  0.00)
164: 11       (  0.037,  -0.007,  -0.105)  (  0.053,   0.011,  -0.240)  ( 0.06,  0.01,  1.41)
164:     bond    (  9.639,  15.878,   4.037)  (  9.642,  15.883,   4.041)  ( 0.04,  0.03,  0.11)
164:     angle   ( -9.172,  -2.161,  -6.458)  ( -9.170,  -2.158,  -6.456)  ( 0.02,  0.11,  0.02)
164:     strbnd  (  1.149,  -6.264,  -0.982)  (  1.147,  -6.265,  -0.982)  ( 0.10,  0.02,  0.04)
164:     torsion ( -0.350,  -0.442,   3.225)  ( -0.350,  -0.442,   3.225)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.054,  -0.059,   0.659)  ( -0.042,  -0.046,   0.518)  ( 0.06,  0.07,  9.28)
164:     vdw     ( -0.242,  -4.058,  -0.450)  ( -0.242,  -4.058,  -0.450)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.932,  -2.902,  -0.135)  ( -0.932,  -2.902,  -0.135)  ( 0.00,  0.00,  0.00)
164: 12       (  0.007,   0.058,  -0.013)  (  0.009,   0.059,  -0.013)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xyd_3es.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xyj_wlm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xyu_q9g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xyw_08s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xyx_z00.sdf
163:     bond    ( 68.278,  40.654,  58.158)  ( 68.324,  40.691,  58.170)  ( 0.07,  0.09,  0.02)
163:     angle   (-14.590, -95.896,  93.389)  (-14.578, -95.881,  93.396)  ( 0.08,  0.02,  0.01)
163:     torsion ( -1.966,   4.760, -13.239)  ( -1.966,   4.761, -13.238)  ( 0.00,  0.00,  0.01)
163:     vdw     (  0.587,  -1.677,   1.050)  (  0.587,  -1.677,   1.050)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 17       (164.485, -1750.099, 359.852)  (164.514, -1750.044, 359.905)  ( 0.02,  0.00,  0.01)
163:     bond    ( 87.415, -1695.554, 508.596)  ( 87.436, -1695.507, 508.638)  ( 0.02,  0.00,  0.01)
163:     angle   ( 80.485, -54.139, -148.780)  ( 80.492, -54.130, -148.770)  ( 0.01,  0.02,  0.01)
163:     torsion (  1.700,  -7.304,   2.419)  (  1.699,  -7.304,   2.419)  ( 0.04,  0.00,  0.00)
163:     vdw     ( -5.114,   6.898,  -2.383)  ( -5.113,   6.898,  -2.383)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 18       (-28.502, -72.471,  13.320)  (-28.482, -72.459,  13.325)  ( 0.07,  0.02,  0.04)
163:     bond    ( 14.638,  -9.522,   7.122)  ( 14.656,  -9.515,   7.126)  ( 0.12,  0.08,  0.06)
163:     angle   (-45.669, -63.224,   9.506)  (-45.667, -63.221,   9.506)  ( 0.00,  0.01,  0.00)
163:     torsion ( -0.598,   0.771,   2.258)  ( -0.598,   0.771,   2.258)  ( 0.00,  0.01,  0.02)
163:     vdw     (  4.797,   1.730,  -6.454)  (  4.797,   1.731,  -6.454)  ( 0.01,  0.04,  0.00)
163:     electro ( -1.671,  -2.225,   0.889)  ( -1.671,  -2.225,   0.889)  ( 0.00,  0.00,  0.00)
163: 19       (114.823, -41.665, -42.781)  (114.872, -41.615, -42.731)  ( 0.04,  0.12,  0.12)
163:     bond    ( 46.006, -62.726, -75.264)  ( 46.042, -62.686, -75.226)  ( 0.08,  0.06,  0.05)
163:     angle   ( 71.528,  17.445,  24.719)  ( 71.541,  17.454,  24.730)  ( 0.02,  0.05,  0.04)
163:     torsion ( -0.887,  -0.092,   4.539)  ( -0.886,  -0.091,   4.539)  ( 0.02,  0.00,  0.01)
163:     vdw     ( -1.826,   3.708,   3.226)  ( -1.825,   3.709,   3.226)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 20       (  0.359,  94.777,   7.548)  (  0.409,  94.829,   7.594)  ( 1.80,  0.06,  0.61)
163:     bond    (-39.306,  77.507,  -9.832)  (-39.267,  77.545,  -9.795)  ( 0.10,  0.05,  0.38)
163:     angle   ( 29.541,  14.158,  21.655)  ( 29.551,  14.172,  21.664)  ( 0.03,  0.10,  0.04)
163:     torsion (  0.559,  -2.282,   2.657)  (  0.560,  -2.282,   2.658)  ( 0.01,  0.02,  0.02)
163:     vdw     (  9.565,   5.394,  -6.932)  (  9.566,   5.394,  -6.932)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 21       (-15.626,   9.796,  -8.493)  (-15.606,   9.807,  -8.489)  ( 0.13,  0.11,  0.05)
163:     bond    (-18.997,  12.730,  -1.669)  (-18.978,  12.738,  -1.669)  ( 0.10,  0.07,  0.00)
163:     angle   ( -9.429, -17.517, -26.477)  ( -9.428, -17.515, -26.473)  ( 0.01,  0.01,  0.01)
163:     torsion (  0.444,   0.852,   1.457)  (  0.444,   0.852,   1.457)  ( 0.00,  0.00,  0.01)
163:     vdw     ( 12.356,  13.731,  18.195)  ( 12.357,  13.731,  18.196)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 22       ( 16.790, -14.975,   7.995)  ( 16.794, -14.970,   8.021)  ( 0.02,  0.04,  0.32)
163:     bond    (  0.839,  -3.049,   9.710)  (  0.839,  -3.047,   9.735)  ( 0.01,  0.08,  0.26)
163:     angle   ( 17.920, -10.218,  -4.742)  ( 17.923, -10.215,  -4.741)  ( 0.02,  0.03,  0.01)
163:     torsion (  1.554,  -3.125,  -1.112)  (  1.554,  -3.125,  -1.112)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -3.522,   1.417,   4.139)  ( -3.522,   1.417,   4.139)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 23       ( -3.383,  26.547,  -7.292)  ( -3.331,  26.599,  -7.247)  ( 1.52,  0.19,  0.62)
163:     bond    ( -5.729, -62.233,   5.658)  ( -5.688, -62.197,   5.694)  ( 0.72,  0.06,  0.64)
163:     angle   (  3.696,  79.918, -15.987)  (  3.706,  79.932, -15.979)  ( 0.27,  0.02,  0.05)
163:     torsion (  0.547,   3.703,   0.318)  (  0.547,   3.703,   0.319)  ( 0.01,  0.01,  0.02)
163:     vdw     ( -1.897,   5.160,   2.720)  ( -1.897,   5.160,   2.720)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 24       ( -8.564, -14.110, -19.019)  ( -8.561, -14.092, -19.005)  ( 0.04,  0.12,  0.08)
163:     bond    ( -0.478, -14.334, -12.772)  ( -0.478, -14.319, -12.760)  ( 0.00,  0.11,  0.10)
163:     angle   (-14.163,   1.214,  -0.836)  (-14.161,   1.216,  -0.834)  ( 0.02,  0.13,  0.17)
163:     torsion (  1.364,  -0.748,   0.788)  (  1.364,  -0.748,   0.788)  ( 0.01,  0.01,  0.01)
163:     vdw     (  4.712,  -0.241,  -6.199)  (  4.712,  -0.241,  -6.199)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 25       ( 15.923,   6.709, -14.172)  ( 15.972,   6.759, -14.123)  ( 0.30,  0.75,  0.35)
163:     bond    (-43.493,  18.715,  43.123)  (-43.457,  18.755,  43.161)  ( 0.08,  0.21,  0.09)
163:     angle   ( 52.144,  -7.332, -54.175)  ( 52.156,  -7.322, -54.164)  ( 0.02,  0.13,  0.02)
163:     torsion (  3.258,  -0.518,  -1.719)  (  3.259,  -0.518,  -1.718)  ( 0.01,  0.01,  0.03)
163:     vdw     (  4.014,  -4.156,  -1.402)  (  4.014,  -4.156,  -1.402)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 26       (  8.967,  13.422,  21.262)  (  8.971,  13.430,  21.286)  ( 0.05,  0.06,  0.11)
163:     bond    (  2.558,  -5.615,  13.404)  (  2.558,  -5.611,  13.427)  ( 0.03,  0.07,  0.17)
163:     angle   (-11.664,   4.967,   4.298)  (-11.661,   4.970,   4.299)  ( 0.02,  0.06,  0.02)
163:     torsion ( -1.780,   1.821,   1.100)  ( -1.780,   1.821,   1.100)  ( 0.00,  0.01,  0.00)
163:     vdw     ( 19.854,  12.250,   2.460)  ( 19.854,  12.250,   2.460)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 27       (-323.145, -271.799, 112.451)  (-323.099, -271.749, 112.477)  ( 0.01,  0.02,  0.02)
163:     bond    (-277.510, -232.743, 103.218)  (-277.472, -232.705, 103.231)  ( 0.01,  0.02,  0.01)
163:     angle   (-42.969, -37.089,   8.185)  (-42.962, -37.077,   8.196)  ( 0.02,  0.03,  0.14)
163:     torsion ( -3.196,  -2.651,   1.412)  ( -3.196,  -2.651,   1.412)  ( 0.00,  0.01,  0.03)
163:     vdw     (  0.465,   0.546,  -0.326)  (  0.465,   0.546,  -0.326)  ( 0.00,  0.00,  0.00)
163:     electro (  0.066,   0.137,  -0.038)  (  0.066,   0.137,  -0.038)  ( 0.00,  0.00,  0.00)
163: 28       ( -9.937, -12.237, -27.175)  ( -9.933, -12.229, -27.152)  ( 0.04,  0.06,  0.09)
163:     bond    ( -2.224,   5.760, -12.961)  ( -2.224,   5.765, -12.939)  ( 0.03,  0.08,  0.17)
163:     angle   ( -1.338, -21.273,  -9.248)  ( -1.335, -21.270,  -9.247)  ( 0.21,  0.01,  0.01)
163:     torsion (  0.876,  -5.005,  -2.380)  (  0.876,  -5.005,  -2.380)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -7.251,   8.281,  -2.586)  ( -7.251,   8.281,  -2.586)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 29       (  1.693,  12.470,  31.606)  (  1.696,  12.488,  31.620)  ( 0.18,  0.14,  0.04)
163:     bond    (  1.386,  19.430,  16.782)  (  1.386,  19.446,  16.793)  ( 0.00,  0.08,  0.07)
163:     angle   (  0.745, -13.698,  15.796)  (  0.748, -13.697,  15.798)  ( 0.22,  0.01,  0.01)
163:     torsion ( -0.853,   1.947,  -2.184)  ( -0.853,   1.947,  -2.184)  ( 0.01,  0.00,  0.00)
163:     vdw     (  0.415,   4.792,   1.212)  (  0.416,   4.792,   1.212)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 30       ( 21.804, -19.915,  15.948)  ( 21.825, -19.906,  15.952)  ( 0.10,  0.05,  0.02)
163:     bond    ( 21.630, -12.881,   1.409)  ( 21.650, -12.874,   1.409)  ( 0.09,  0.06,  0.00)
163:     angle   ( -4.510,  -5.515,  18.908)  ( -4.509,  -5.513,  18.912)  ( 0.02,  0.04,  0.02)
163:     torsion (  0.258,   0.167,  -2.434)  (  0.258,   0.167,  -2.434)  ( 0.00,  0.00,  0.01)
163:     vdw     (  4.426,  -1.686,  -1.936)  (  4.427,  -1.686,  -1.936)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xzg_vh1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xzi_kdm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2xzj_kfn.sdf
167:     bond    ( 12.471,   8.264,  -8.201)  ( 12.475,   8.269,  -8.198)  ( 0.03,  0.05,  0.04)
167:     angle   ( -4.431,  -3.492,  12.184)  ( -4.428,  -3.490,  12.186)  ( 0.05,  0.06,  0.02)
167:     strbnd  ( -0.524,  -0.135,  -1.592)  ( -0.525,  -0.135,  -1.593)  ( 0.04,  0.01,  0.09)
167:     torsion (  0.324,   0.205,  -0.795)  (  0.324,   0.205,  -0.795)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -2.153,  -5.825,  12.012)  ( -2.153,  -5.825,  12.012)  ( 0.01,  0.00,  0.00)
167:     electro ( -5.634,   1.031, -13.597)  ( -5.634,   1.031, -13.597)  ( 0.00,  0.00,  0.00)
167: 13       ( -0.033,   0.044,  -0.066)  ( -0.028,   0.050,  -0.060)  ( 0.02,  0.02,  0.04)
167:     bond    ( -1.022,   2.769, -11.636)  ( -1.018,   2.773, -11.632)  ( 0.38,  0.15,  0.04)
167:     angle   (  2.667,  -0.692,   3.803)  (  2.669,  -0.690,   3.805)  ( 0.08,  0.14,  0.05)
167:     strbnd  ( -0.724,  -0.340,  -1.109)  ( -0.725,  -0.341,  -1.109)  ( 0.06,  0.02,  0.06)
167:     torsion (  0.405,   1.098,  -1.920)  (  0.405,   1.098,  -1.920)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -1.359,  -2.790,  10.796)  ( -1.359,  -2.790,  10.796)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 14       (  0.007,  -0.025,   0.013)  (  0.013,  -0.021,   0.019)  ( 0.00,  0.01,  0.01)
167:     bond    ( 11.175, -20.171,  13.213)  ( 11.179, -20.168,  13.217)  ( 0.04,  0.02,  0.03)
167:     angle   (  2.571,   9.759,   3.518)  (  2.573,   9.761,   3.520)  ( 0.08,  0.02,  0.06)
167:     strbnd  ( -2.280,   2.701,  -3.055)  ( -2.280,   2.700,  -3.056)  ( 0.02,  0.05,  0.02)
167:     torsion ( -0.110,  -0.615,   0.673)  ( -0.110,  -0.615,   0.673)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.374,  10.869,  -0.069)  (  0.374,  10.869,  -0.069)  ( 0.01,  0.00,  0.00)
167:     electro (-11.723,  -2.568, -14.267)  (-11.723,  -2.568, -14.267)  ( 0.00,  0.00,  0.00)
167: 15       (  0.013,  -0.037,  -0.024)  (  0.019,  -0.032,  -0.019)  ( 0.01,  0.02,  0.01)
167:     bond    ( -3.351, -12.352,  -4.364)  ( -3.347, -12.347,  -4.360)  ( 0.12,  0.03,  0.09)
167:     angle   (  1.262,   4.111,   2.963)  (  1.264,   4.113,   2.965)  ( 0.16,  0.05,  0.07)
167:     strbnd  (  0.414,  -1.051,   0.669)  (  0.413,  -1.052,   0.669)  ( 0.03,  0.07,  0.04)
167:     torsion (  0.521,  -2.349,  -0.078)  (  0.521,  -2.349,  -0.078)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  1.168,  11.604,   0.785)  (  1.168,  11.604,   0.785)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 16       ( -0.001,   0.047,  -0.037)  (  0.003,   0.054,  -0.031)  ( 0.00,  0.03,  0.02)
167:     bond    (-10.254,  10.924,  12.441)  (-10.251,  10.929,  12.446)  ( 0.03,  0.04,  0.03)
167:     angle   ( 11.832,  -5.832,   1.537)  ( 11.834,  -5.830,   1.540)  ( 0.02,  0.04,  0.14)
167:     strbnd  (  3.079,  -1.593,  -1.792)  (  3.078,  -1.593,  -1.793)  ( 0.04,  0.03,  0.03)
167:     torsion ( -0.671,   0.413,   0.394)  ( -0.671,   0.413,   0.394)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( 10.629,  -5.544,  -4.869)  ( 10.629,  -5.544,  -4.869)  ( 0.00,  0.00,  0.00)
167:     electro (-14.616,   1.679,  -7.750)  (-14.616,   1.679,  -7.750)  ( 0.00,  0.00,  0.00)
167: 17       (  0.044,  -0.013,  -0.069)  (  0.050,  -0.007,  -0.064)  ( 0.02,  0.01,  0.04)
167:     bond    (-11.600,   1.517,   0.561)  (-11.596,   1.521,   0.565)  ( 0.04,  0.28,  0.22)
167:     angle   (  4.361,   1.078,   1.006)  (  4.363,   1.080,   1.008)  ( 0.05,  0.19,  0.21)
167:     strbnd  ( -1.688,  -0.141,  -0.612)  ( -1.689,  -0.142,  -0.613)  ( 0.04,  0.01,  0.05)
167:     torsion ( -1.913,   0.730,   0.873)  ( -1.913,   0.730,   0.873)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( 10.884,  -3.197,  -1.897)  ( 10.884,  -3.196,  -1.897)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 18       ( -0.052,   0.010,   0.016)  ( -0.046,   0.015,   0.022)  ( 0.03,  0.01,  0.01)
167:     bond    ( -8.989,  -3.786,  -7.821)  ( -8.985,  -3.782,  -7.817)  ( 0.04,  0.10,  0.05)
167:     angle   ( -7.201,  -4.293,  -6.623)  ( -7.199,  -4.291,  -6.620)  ( 0.03,  0.05,  0.03)
167:     strbnd  (  0.874,   0.570,   0.666)  (  0.873,   0.569,   0.665)  ( 0.06,  0.05,  0.05)
167:     torsion (  3.308,   1.707,   2.879)  (  3.308,   1.708,   2.879)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( 11.956,   5.812,  10.915)  ( 11.956,   5.812,  10.915)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 19       ( -0.010,  -0.054,  -0.000)  ( -0.010,  -0.051,   0.000)  ( 0.00,  0.02,  0.00)
167:     bond    (  0.153,   1.775,  -0.001)  (  0.153,   1.779,  -0.001)  ( 0.00,  0.19,  0.00)
167:     angle   (  0.670,  -0.060,  -4.842)  (  0.670,  -0.060,  -4.841)  ( 0.03,  0.00,  0.01)
167:     strbnd  (  0.815,   0.040,  -1.119)  (  0.815,   0.040,  -1.119)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.405,   0.035,   0.864)  ( -0.405,   0.035,   0.864)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -1.243,  -1.845,   5.098)  ( -1.243,  -1.845,   5.098)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 20       ( -0.030,   0.008,  -0.000)  ( -0.027,   0.009,   0.001)  ( 0.01,  0.00,  0.00)
167:     bond    (  1.090,  -0.510,  -0.354)  (  1.093,  -0.510,  -0.354)  ( 0.24,  0.03,  0.01)
167:     angle   ( -1.149,   1.385,  -5.542)  ( -1.148,   1.385,  -5.542)  ( 0.01,  0.03,  0.01)
167:     strbnd  (  0.136,   1.058,  -0.892)  (  0.136,   1.058,  -0.892)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.156,  -0.327,  -0.012)  ( -0.156,  -0.327,  -0.012)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.048,  -1.599,   6.800)  (  0.048,  -1.599,   6.800)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 21       (  0.026,  -0.047,   0.017)  (  0.027,  -0.045,   0.018)  ( 0.00,  0.01,  0.00)
167:     bond    ( -1.201,   2.098,  -1.005)  ( -1.200,   2.100,  -1.004)  ( 0.06,  0.10,  0.05)
167:     angle   (  1.262,  -0.296,  -2.127)  (  1.262,  -0.296,  -2.126)  ( 0.04,  0.01,  0.02)
167:     strbnd  (  0.580,  -0.948,  -0.176)  (  0.580,  -0.948,  -0.176)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.425,  -0.185,   0.120)  ( -0.425,  -0.185,   0.120)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     ( -0.190,  -0.716,   3.204)  ( -0.190,  -0.716,   3.204)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 22       ( -0.010,   0.005,   0.009)  ( -0.009,   0.007,   0.011)  ( 0.00,  0.00,  0.00)
167:     bond    (  1.021,  -1.244,  -1.972)  (  1.022,  -1.244,  -1.970)  ( 0.05,  0.07,  0.10)
167:     angle   (  0.097,   2.258,  -1.376)  (  0.097,   2.259,  -1.375)  ( 0.00,  0.02,  0.01)
167:     strbnd  ( -0.623,   0.860,   0.374)  ( -0.623,   0.860,   0.374)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.785,  -0.995,   0.221)  ( -0.785,  -0.995,   0.221)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.280,  -0.873,   2.761)  (  0.280,  -0.873,   2.761)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 23       ( -0.000,  -0.002,  -0.005)  (  0.003,  -0.001,  -0.004)  ( 0.00,  0.00,  0.00)
167:     bond    ( -2.170,   0.852,   0.493)  ( -2.167,   0.853,   0.494)  ( 0.13,  0.04,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y00_y00.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y02_whj.sdf
164:     bond    ( -1.070,   0.929,   0.454)  ( -1.069,   0.931,   0.454)  ( 0.16,  0.12,  0.01)
164:     angle   (  4.468,   5.608,  -0.977)  (  4.468,   5.608,  -0.977)  ( 0.01,  0.01,  0.05)
164:     strbnd  (  0.788,  -0.295,  -1.704)  (  0.788,  -0.295,  -1.704)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.551,  -1.028,   0.811)  ( -0.551,  -1.028,   0.811)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.628,  -5.157,   1.404)  ( -3.628,  -5.157,   1.404)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 13       ( -0.120,   0.039,  -0.037)  ( -0.119,   0.040,  -0.033)  ( 0.01,  0.00,  0.01)
164:     bond    ( -0.328,  -0.292,  -3.901)  ( -0.328,  -0.292,  -3.897)  ( 0.00,  0.00,  0.08)
164:     angle   ( -0.446,   1.585,  -0.081)  ( -0.446,   1.585,  -0.081)  ( 0.02,  0.04,  0.00)
164:     strbnd  ( -0.722,   1.212,   0.784)  ( -0.722,   1.212,   0.784)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.435,   1.492,  -0.075)  ( -0.435,   1.492,  -0.075)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.812,  -3.957,   3.236)  (  1.812,  -3.957,   3.236)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 14       (  0.067,   0.147,  -0.288)  (  0.068,   0.148,  -0.285)  ( 0.00,  0.01,  0.08)
164:     bond    ( -0.175,   1.062,   2.357)  ( -0.175,   1.063,   2.360)  ( 0.00,  0.05,  0.12)
164:     angle   ( -0.080,  -0.961,   0.427)  ( -0.080,  -0.961,   0.427)  ( 0.00,  0.04,  0.00)
164:     strbnd  (  0.554,   0.475,  -1.094)  (  0.554,   0.475,  -1.094)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.550,   1.444,  -0.691)  ( -0.550,   1.444,  -0.691)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.318,  -1.873,  -1.287)  (  0.318,  -1.873,  -1.287)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 15       (  0.046,  -0.135,  -0.333)  (  0.047,  -0.133,  -0.331)  ( 0.00,  0.03,  0.06)
164:     bond    (  0.373,   1.480,  -1.330)  (  0.373,   1.482,  -1.328)  ( 0.00,  0.12,  0.11)
164:     angle   ( -2.004,   0.579,   0.084)  ( -2.004,   0.580,   0.085)  ( 0.03,  0.01,  0.00)
164:     strbnd  (  0.258,   0.339,   0.948)  (  0.258,   0.339,   0.948)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.462,  -0.620,  -0.562)  (  0.462,  -0.620,  -0.562)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.958,  -1.914,   0.528)  (  0.958,  -1.914,   0.528)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 16       ( -0.222,  -0.176,   0.346)  ( -0.217,  -0.175,   0.343)  ( 0.09,  0.02,  0.10)
164:     bond    (  0.758,  -0.200,   0.086)  (  0.762,  -0.200,   0.086)  ( 0.28,  0.01,  0.00)
164:     angle   (  0.078,   0.315,   0.044)  (  0.078,   0.315,   0.044)  ( 0.00,  0.02,  0.00)
164:     strbnd  ( -0.224,   0.410,  -0.006)  ( -0.224,   0.410,  -0.006)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.053,  -0.023,   0.416)  ( -0.053,  -0.023,   0.416)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.002,  -0.001,   0.014)  ( -0.001,  -0.001,   0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.370,  -0.087,  -0.051)  ( -0.370,  -0.087,  -0.051)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.409,  -0.590,  -0.156)  ( -0.409,  -0.590,  -0.156)  ( 0.00,  0.00,  0.00)
164: 17       ( -0.172,  -0.001,   0.210)  ( -0.170,   0.003,   0.205)  ( 0.02,  0.00,  0.11)
164:     bond    (  0.202,  -2.402,  -0.106)  (  0.202,  -2.398,  -0.106)  ( 0.00,  0.16,  0.00)
164:     angle   (  0.155,   0.010,   0.062)  (  0.156,   0.010,   0.062)  ( 0.01,  0.00,  0.00)
164:     strbnd  (  0.312,   1.242,   0.101)  (  0.312,   1.242,   0.101)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.037,  -0.018,   0.329)  ( -0.037,  -0.018,   0.329)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.003,  -0.001,   0.025)  ( -0.002,  -0.001,   0.019)  ( 0.00,  0.00,  0.01)
164:     vdw     ( -0.532,   0.720,  -0.009)  ( -0.532,   0.720,  -0.009)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.269,   0.447,  -0.192)  ( -0.269,   0.447,  -0.192)  ( 0.00,  0.00,  0.00)
164: 18       ( -0.081,  -0.033,  -0.057)  ( -0.060,  -0.053,  -0.067)  ( 0.17,  0.07,  0.06)
164:     bond    ( -6.379,   0.928, -24.889)  ( -6.375,   0.931, -24.885)  ( 0.06,  0.30,  0.02)
164:     angle   (  9.056,   0.616,  23.534)  (  9.058,   0.619,  23.536)  ( 0.02,  0.14,  0.01)
164:     strbnd  ( -5.196,  -2.586,  -0.461)  ( -5.197,  -2.587,  -0.462)  ( 0.03,  0.04,  0.02)
164:     torsion (  1.569,  -1.208,   0.648)  (  1.569,  -1.208,   0.648)  ( 0.00,  0.01,  0.00)
164:     oop     ( -0.120,   0.144,   0.106)  ( -0.104,   0.120,   0.090)  ( 0.19,  0.35,  0.17)
164:     vdw     (  1.409,   4.724,  -3.655)  (  1.409,   4.724,  -3.655)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.420,  -2.651,   4.661)  ( -0.420,  -2.651,   4.661)  ( 0.00,  0.00,  0.00)
164: 19       ( -0.058,   0.004,   0.349)  ( -0.047,   0.015,   0.354)  ( 0.06,  0.00,  0.19)
164:     bond    ( -2.284,   1.490,  -1.564)  ( -2.281,   1.492,  -1.560)  ( 0.13,  0.13,  0.31)
164:     angle   ( -1.097,  -5.742,  -2.880)  ( -1.096,  -5.741,  -2.878)  ( 0.12,  0.02,  0.06)
164:     strbnd  (  3.814,  -3.033,   2.137)  (  3.814,  -3.033,   2.137)  ( 0.01,  0.00,  0.01)
164:     torsion (  0.420,   0.671,  -0.162)  (  0.420,   0.672,  -0.162)  ( 0.02,  0.04,  0.00)
164:     oop     ( -0.056,  -0.065,   0.006)  ( -0.050,  -0.058,   0.005)  ( 0.04,  0.05,  0.00)
164:     vdw     ( -0.306,   9.504,   2.421)  ( -0.306,   9.504,   2.421)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.549,  -2.822,   0.391)  ( -0.549,  -2.822,   0.391)  ( 0.00,  0.00,  0.00)
164: 20       (  0.614,   0.560,   0.386)  (  0.502,   0.609,   0.460)  ( 6.89,  2.73,  2.86)
164:     bond    ( -2.231, -20.883,   8.347)  ( -2.227, -20.877,   8.352)  ( 0.15,  0.03,  0.06)
164:     angle   ( -4.426,  15.205,  -3.475)  ( -4.426,  15.207,  -3.473)  ( 0.02,  0.01,  0.05)
164:     strbnd  ( -4.771,  -2.312,  -7.995)  ( -4.772,  -2.313,  -7.996)  ( 0.01,  0.04,  0.02)
164:     torsion ( -2.925,   0.824,   1.217)  ( -2.924,   0.824,   1.217)  ( 0.01,  0.00,  0.00)
164:     oop     (  0.652,  -0.226,  -0.380)  (  0.536,  -0.185,  -0.311)  ( 7.57,  0.92,  2.60)
164:     vdw     (  7.151,   3.310,   3.612)  (  7.151,   3.310,   3.612)  ( 0.00,  0.00,  0.00)
164:     electro (  7.163,   4.641,  -0.940)  (  7.163,   4.641,  -0.940)  ( 0.00,  0.00,  0.00)
164: 21       ( -0.124,  -0.034,   0.051)  ( -0.123,  -0.033,   0.055)  ( 0.01,  0.00,  0.02)
164:     bond    ( -0.235,  -0.308,  -2.219)  ( -0.235,  -0.308,  -2.216)  ( 0.00,  0.00,  0.15)
164:     angle   (  4.698,  -5.851,   0.315)  (  4.699,  -5.850,   0.315)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -0.581,  -0.336,   1.443)  ( -0.581,  -0.336,   1.443)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.301,   0.144,   0.118)  ( -1.301,   0.144,   0.118)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.704,   6.318,   0.395)  ( -2.704,   6.318,   0.395)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 22       ( -0.190,  -0.210,  -0.397)  ( -0.195,  -0.220,  -0.390)  ( 0.10,  0.21,  0.27)
164:     bond    (  7.110,  -5.000,  16.974)  (  7.113,  -4.998,  16.979)  ( 0.05,  0.04,  0.03)
164:     angle   ( -2.542,   1.862,  -6.168)  ( -2.541,   1.862,  -6.166)  ( 0.04,  0.04,  0.03)
164:     strbnd  ( -2.998,   2.586,   2.923)  ( -2.998,   2.586,   2.923)  ( 0.00,  0.00,  0.01)
164:     torsion (  0.187,   0.206,   0.004)  (  0.187,   0.207,   0.004)  ( 0.01,  0.02,  0.00)
164:     oop     (  0.071,   0.090,  -0.001)  (  0.060,   0.076,  -0.000)  ( 0.07,  0.12,  0.00)
164:     vdw     ( -3.409,   1.113, -13.213)  ( -3.409,   1.113, -13.213)  ( 0.00,  0.01,  0.00)
164:     electro (  1.392,  -1.067,  -0.917)  (  1.392,  -1.067,  -0.917)  ( 0.00,  0.00,  0.00)
164: 23       ( -0.334,  -0.228,   0.485)  ( -0.328,  -0.223,   0.493)  ( 0.22,  0.13,  0.36)
164:     bond    ( -4.764,   3.427,  11.494)  ( -4.760,   3.429,  11.499)  ( 0.07,  0.06,  0.05)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y04_68h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y0j_axc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y1d_34f.sdf
166:  1       ( 75.919,  23.900,  -8.357)  ( 75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
166:     bond    ( 43.256,   7.487, -14.578)  ( 43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
166:     angle   ( -0.077,   0.026,  -0.013)  ( -0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( 27.650,   7.696,  -4.671)  ( 27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
166:     torsion ( -0.018,   0.018,   0.030)  ( -0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.004,   0.006,   0.012)  ( -0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     (  5.113,   8.667,  10.865)  (  5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  2       ( -0.007,  70.694, -37.613)  (  0.000,  70.701, -37.611)  ( 0.00,  0.01,  0.01)
166:     bond    ( -0.003,  34.123, -31.161)  (  0.000,  34.128, -31.160)  ( 0.00,  0.01,  0.00)
166:     angle   ( -0.002,   0.021,  -0.051)  (  0.000,   0.022,  -0.051)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( -0.001,  24.741, -15.277)  (  0.000,  24.742, -15.276)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.007,  -0.022)  (  0.000,  -0.006,  -0.021)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.005,  -0.010)  (  0.000,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.000,  11.821,   8.908)  (  0.000,  11.821,   8.908)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  3       ( -0.007, -70.710, -37.613)  (  0.000, -70.701, -37.611)  ( 0.00,  0.01,  0.01)
166:     bond    ( -0.003, -34.133, -31.161)  (  0.000, -34.128, -31.160)  ( 0.00,  0.01,  0.00)
166:     angle   ( -0.002,  -0.024,  -0.051)  (  0.000,  -0.022,  -0.051)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( -0.001, -24.743, -15.277)  (  0.000, -24.742, -15.276)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,   0.006,  -0.022)  (  0.000,   0.006,  -0.021)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,   0.005,  -0.010)  (  0.000,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.000, -11.821,   8.908)  ( -0.000, -11.821,   8.908)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  4       ( 75.919, -23.913,  -8.357)  ( 75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
166:     bond    ( 43.256,  -7.494, -14.578)  ( 43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
166:     angle   ( -0.077,  -0.029,  -0.013)  ( -0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( 27.650,  -7.698,  -4.671)  ( 27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
166:     torsion ( -0.018,  -0.018,   0.030)  ( -0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.004,  -0.006,   0.012)  ( -0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     (  5.113,  -8.667,  10.865)  (  5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  5       (-38.554,  47.292, -52.215)  (-38.549,  47.297, -52.209)  ( 0.01,  0.01,  0.01)
166:     bond    (-12.136,  26.876, -35.755)  (-12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
166:     angle   ( -0.007,   0.078,   0.012)  ( -0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
166:     strbnd  (-12.414,  17.157, -20.001)  (-12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.017,   0.014,  -0.020)  (  0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.005,   0.002,  -0.006)  (  0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (-14.019,   3.164,   3.556)  (-14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  6       (-38.554, -47.306, -52.215)  (-38.549, -47.297, -52.209)  ( 0.01,  0.02,  0.01)
166:     bond    (-12.136, -26.884, -35.755)  (-12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
166:     angle   ( -0.007,  -0.081,   0.012)  ( -0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
166:     strbnd  (-12.414, -17.160, -20.001)  (-12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.017,  -0.014,  -0.020)  (  0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.005,  -0.002,  -0.006)  (  0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (-14.019,  -3.165,   3.556)  (-14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  7       (-75.934,  23.900,  -8.357)  (-75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
166:     bond    (-43.264,   7.487, -14.578)  (-43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
166:     angle   (  0.075,   0.026,  -0.013)  (  0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
166:     strbnd  (-27.652,   7.696,  -4.671)  (-27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
166:     torsion (  0.017,   0.018,   0.030)  (  0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.004,   0.006,   0.012)  (  0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.113,   8.667,  10.865)  ( -5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  8       (-75.934, -23.913,  -8.357)  (-75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
166:     bond    (-43.264,  -7.494, -14.578)  (-43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
166:     angle   (  0.075,  -0.029,  -0.013)  (  0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
166:     strbnd  (-27.652,  -7.698,  -4.671)  (-27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
166:     torsion (  0.017,  -0.018,   0.030)  (  0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.004,  -0.006,   0.012)  (  0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.113,  -8.667,  10.865)  ( -5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  9       ( 47.292,  52.205,  38.542)  ( 47.297,  52.209,  38.549)  ( 0.01,  0.01,  0.02)
166:     bond    ( 26.876,  35.751,  12.130)  ( 26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
166:     angle   (  0.078,  -0.014,   0.005)  (  0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( 17.157,  20.000,  12.412)  ( 17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
166:     torsion (  0.014,   0.019,  -0.017)  (  0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.002,   0.006,  -0.006)  (  0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.164,  -3.556,  14.019)  (  3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 10       (  8.348,  75.919,  23.900)  (  8.353,  75.928,  23.905)  ( 0.06,  0.01,  0.02)
166:     bond    ( 14.575,  43.256,   7.487)  ( 14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
166:     angle   (  0.011,  -0.077,   0.026)  (  0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
166:     strbnd  (  4.670,  27.650,   7.696)  (  4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
166:     torsion ( -0.031,  -0.018,   0.018)  ( -0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.012,  -0.004,   0.006)  ( -0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (-10.865,   5.113,   8.667)  (-10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 11       (  8.348, -75.934,  23.900)  (  8.353, -75.928,  23.905)  ( 0.06,  0.01,  0.02)
166:     bond    ( 14.575, -43.264,   7.487)  ( 14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
166:     angle   (  0.011,   0.075,   0.026)  (  0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
166:     strbnd  (  4.670, -27.652,   7.696)  (  4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
166:     torsion ( -0.031,   0.017,   0.018)  ( -0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.012,   0.004,   0.006)  ( -0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (-10.865,  -5.113,   8.667)  (-10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 12       ( 47.292, -52.215,  38.542)  ( 47.297, -52.209,  38.549)  ( 0.01,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y1o_t26.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y1w_849.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y1x_845.sdf
167:     angle   ( -2.709,  -4.551,  -4.037)  ( -2.709,  -4.550,  -4.036)  ( 0.00,  0.01,  0.01)
167:     strbnd  (  0.176,  -2.037,   0.838)  (  0.176,  -2.037,   0.838)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.238,   0.878,  -0.470)  (  0.238,   0.878,  -0.470)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  4.466,   4.856,   3.170)  (  4.466,   4.856,   3.170)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 24       ( -0.002,   0.009,  -0.015)  ( -0.001,   0.010,  -0.012)  ( 0.00,  0.00,  0.00)
167:     bond    (  0.707,   0.613,  -2.070)  (  0.707,   0.614,  -2.067)  ( 0.02,  0.02,  0.14)
167:     angle   ( -4.504,  -2.559,  -2.301)  ( -4.503,  -2.559,  -2.301)  ( 0.01,  0.02,  0.01)
167:     strbnd  (  0.695,  -2.064,   0.376)  (  0.695,  -2.064,   0.376)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.221,  -0.053,  -0.091)  ( -0.221,  -0.053,  -0.091)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  3.321,   4.072,   4.071)  (  3.321,   4.072,   4.071)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 25       ( -0.009,  -0.007,  -0.002)  ( -0.007,  -0.005,  -0.001)  ( 0.00,  0.00,  0.00)
167:     bond    ( -1.648,  -1.647,   1.112)  ( -1.647,  -1.646,   1.112)  ( 0.08,  0.08,  0.06)
167:     angle   (  1.712,  -2.113,  -0.592)  (  1.713,  -2.113,  -0.591)  ( 0.02,  0.01,  0.03)
167:     strbnd  (  0.745,   0.180,  -0.903)  (  0.745,   0.180,  -0.903)  ( 0.00,  0.00,  0.00)
167:     torsion ( -1.112,   0.821,  -0.431)  ( -1.112,   0.821,  -0.431)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.294,   2.752,   0.812)  (  0.294,   2.752,   0.812)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 26       ( -0.008,   0.000,   0.010)  ( -0.007,   0.001,   0.012)  ( 0.00,  0.00,  0.00)
167:     bond    (  1.332,  -1.438,  -1.930)  (  1.333,  -1.438,  -1.928)  ( 0.06,  0.06,  0.09)
167:     angle   ( -0.781,  -2.060,   0.995)  ( -0.781,  -2.059,   0.995)  ( 0.03,  0.02,  0.03)
167:     strbnd  ( -0.923,   0.023,   0.780)  ( -0.923,   0.023,   0.780)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.202,   0.234,  -0.314)  ( -0.202,   0.234,  -0.314)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.566,   3.241,   0.479)  (  0.566,   3.241,   0.479)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 27       (  0.005,  -0.016,   0.014)  (  0.006,  -0.015,   0.017)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.381,  -0.596,   1.972)  ( -0.381,  -0.596,   1.975)  ( 0.00,  0.02,  0.15)
167:     angle   ( -5.129,   2.087,  -0.360)  ( -5.128,   2.087,  -0.360)  ( 0.01,  0.02,  0.00)
167:     strbnd  ( -1.239,   1.214,   0.126)  ( -1.239,   1.214,   0.126)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.569,  -0.651,  -0.087)  (  0.569,  -0.651,  -0.087)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  6.185,  -2.069,  -1.637)  (  6.186,  -2.069,  -1.637)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 28       (  0.001,  -0.026,  -0.001)  (  0.001,  -0.023,   0.000)  ( 0.00,  0.01,  0.00)
167:     bond    (  0.029,   2.103,  -0.090)  (  0.029,   2.106,  -0.090)  ( 0.00,  0.16,  0.00)
167:     angle   ( -3.823,   0.096,   0.999)  ( -3.823,   0.096,   0.999)  ( 0.02,  0.00,  0.05)
167:     strbnd  ( -1.408,   0.111,   1.022)  ( -1.408,   0.111,   1.022)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.186,  -0.014,  -0.265)  (  0.186,  -0.014,  -0.265)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  5.016,  -2.322,  -1.666)  (  5.016,  -2.322,  -1.666)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 29       ( -0.010,   0.009,   0.006)  ( -0.009,   0.011,   0.007)  ( 0.00,  0.00,  0.00)
167:     bond    ( -1.360,   1.906,  -0.984)  ( -1.359,   1.908,  -0.983)  ( 0.07,  0.10,  0.05)
167:     angle   ( -1.796,  -0.247,   2.003)  ( -1.796,  -0.247,   2.004)  ( 0.02,  0.01,  0.02)
167:     strbnd  (  0.022,  -0.940,   0.574)  (  0.022,  -0.940,   0.574)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.230,  -0.392,  -1.079)  (  0.230,  -0.392,  -1.079)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  2.893,  -0.319,  -0.508)  (  2.893,  -0.319,  -0.508)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 30       ( -0.034,  -0.020,   0.025)  ( -0.032,  -0.019,   0.027)  ( 0.01,  0.00,  0.00)
167:     bond    ( -1.739,  -1.521,   1.401)  ( -1.737,  -1.520,   1.402)  ( 0.08,  0.07,  0.07)
167:     angle   ( -1.608,   1.824,  -0.015)  ( -1.608,   1.824,  -0.015)  ( 0.02,  0.02,  0.00)
167:     strbnd  (  0.184,   0.874,  -0.682)  (  0.184,   0.874,  -0.682)  ( 0.00,  0.00,  0.00)
167:     torsion (  0.081,  -0.467,  -0.406)  (  0.081,  -0.467,  -0.406)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  3.048,  -0.731,  -0.273)  (  3.048,  -0.731,  -0.273)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: 31       (  0.009,  -0.001,   0.008)  (  0.010,   0.000,   0.009)  ( 0.00,  0.00,  0.00)
167:     bond    ( -0.898,  -0.437,  -0.824)  ( -0.896,  -0.436,  -0.823)  ( 0.15,  0.02,  0.11)
167:     angle   (  0.051,   0.059,  -0.088)  (  0.051,   0.060,  -0.088)  ( 0.00,  0.00,  0.00)
167:     strbnd  ( -0.056,   0.008,  -0.026)  ( -0.056,   0.008,  -0.026)  ( 0.00,  0.00,  0.00)
167:     torsion ( -0.032,  -0.088,   0.081)  ( -0.032,  -0.087,   0.081)  ( 0.00,  0.00,  0.00)
167:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167:     vdw     (  0.943,   0.456,   0.865)  (  0.943,   0.456,   0.865)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
167: ok 14 # gradients 
167: ok 15 # energy 
167: ----------------------------------------------------------------------------------------
167:                                                                                         
167:   VALIDATE GRADIENTS : vuwxug.xyz
167:                                                                                         
167:                                                                                         
167: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
167: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y2b_mhi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y2f_yi1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y2v_me2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y37_a54.sdf
167:  1       (  3.869,   2.130,  -0.620)  (  3.613,   1.990,  -0.587)  ( 6.61,  6.59,  2.03)
167:     bond    (  4.935,  -9.109,  -1.104)  (  4.935,  -9.107,  -1.104)  ( 0.02,  0.03,  0.01)
167:     angle   ( -2.548,  -2.956,  12.992)  ( -2.548,  -2.956,  12.993)  ( 0.00,  0.00,  0.01)
167:     strbnd  (  3.655,  -7.443,   0.124)  (  3.655,  -7.443,   0.124)  ( 0.00,  0.00,  0.00)
167:     torsion (  4.665,   2.461,   0.552)  (  4.665,   2.461,   0.552)  ( 0.00,  0.00,  0.00)
167:     oop     (  1.651,   0.927,  -0.264)  (  1.394,   0.784,  -0.232)  (15.54, 13.24,  0.84)
167:     vdw     ( -2.138,   3.876,  -4.785)  ( -2.138,   3.876,  -4.785)  ( 0.00,  0.00,  0.00)
167:     electro ( -6.351,  14.374,  -8.135)  ( -6.351,  14.374,  -8.135)  ( 0.00,  0.00,  0.00)
167:  2       (  4.195,   1.244,  -0.194)  (  3.655,   1.086,  -0.159)  (12.86, 12.64,  0.68)
167:     bond    (  6.117, -25.834, -17.177)  (  6.117, -25.831, -17.166)  ( 0.01,  0.01,  0.06)
167:     angle   ( -9.069,  20.562,  11.811)  ( -9.068,  20.564,  11.813)  ( 0.00,  0.01,  0.02)
167:     strbnd  ( -0.570,   2.942,  11.231)  ( -0.570,   2.942,  11.229)  ( 0.00,  0.01,  0.02)
167:     torsion (  5.123,   1.707,  -0.094)  (  5.124,   1.707,  -0.094)  ( 0.01,  0.00,  0.00)
167:     oop     (  3.384,   0.966,  -0.184)  (  2.844,   0.804,  -0.160)  (15.97, 15.69,  0.44)
167:     vdw     ( -0.760,   1.774,  -1.397)  ( -0.760,   1.774,  -1.397)  ( 0.00,  0.00,  0.00)
167:     electro ( -0.031,  -0.874,  -4.384)  ( -0.031,  -0.874,  -4.384)  ( 0.00,  0.00,  0.00)
167:  3       (-13.485,  -5.099,   2.472)  (-12.579,  -4.741,   2.343)  ( 6.72,  7.01,  5.25)
167:     bond    ( -0.092,  -4.505,  20.203)  ( -0.091,  -4.501,  20.209)  ( 0.01,  0.11,  0.03)
167:     angle   ( 15.243, -23.754, -22.274)  ( 15.243, -23.753, -22.272)  ( 0.00,  0.01,  0.01)
167:     strbnd  ( -1.022,   1.368,   2.985)  ( -1.022,   1.367,   2.985)  ( 0.02,  0.04,  0.02)
167:     torsion (-13.583,  -4.422,   0.322)  (-13.582,  -4.422,   0.322)  ( 0.00,  0.00,  0.00)
167:     oop     ( -6.172,  -2.314,   1.085)  ( -5.268,  -1.962,   0.948)  (14.65, 15.20, 12.64)
167:     vdw     ( -1.549,   6.037,   1.007)  ( -1.549,   6.037,   1.007)  ( 0.00,  0.00,  0.00)
167:     electro ( -6.310,  22.492,  -0.857)  ( -6.310,  22.492,  -0.857)  ( 0.00,  0.00,  0.00)
167:  4       (  0.015,   0.009,  -0.021)  (  0.130,   0.041,  -0.020)  ( 0.18,  0.03,  0.00)
167:     bond    (  0.074,  -3.835, -13.494)  (  0.074,  -3.834, -13.485)  ( 0.00,  0.02,  0.06)
167:     angle   (  0.976,  -3.230,   0.924)  (  0.976,  -3.229,   0.924)  ( 0.00,  0.02,  0.01)
167:     strbnd  ( -0.552,   0.029,  -7.860)  ( -0.552,   0.029,  -7.860)  ( 0.00,  0.00,  0.00)
167:     torsion ( -1.551,  -0.406,   0.107)  ( -1.551,  -0.406,   0.107)  ( 0.01,  0.00,  0.00)
167:     oop     ( -0.503,  -0.135,   0.036)  ( -0.388,  -0.104,   0.028)  ( 5.79,  0.41,  0.03)
167:     vdw     (  0.515,   2.328,   5.755)  (  0.515,   2.328,   5.755)  ( 0.00,  0.01,  0.00)
167:     electro (  1.057,   5.257,  14.512)  (  1.057,   5.257,  14.512)  ( 0.00,  0.00,  0.00)
167:  5       (  5.402,   1.718,  -1.674)  (  5.102,   1.621,  -1.576)  ( 5.55,  5.65,  5.91)
167:     bond    (  0.018,   0.073,   0.129)  (  0.018,   0.074,   0.133)  ( 0.00,  0.01,  0.05)
167:     angle   ( -4.844,   9.643,  -4.711)  ( -4.844,   9.644,  -4.711)  ( 0.00,  0.01,  0.00)
167:     strbnd  ( -0.264,   0.055,   0.251)  ( -0.264,   0.055,   0.251)  ( 0.00,  0.00,  0.00)
167:     torsion (  4.479,   0.424,  -0.834)  (  4.479,   0.424,  -0.834)  ( 0.00,  0.00,  0.00)
167:     oop     (  2.303,   0.738,  -0.718)  (  2.003,   0.639,  -0.623)  (13.05,  7.29,  6.82)
167:     vdw     ( -0.672,   1.547,  -1.346)  ( -0.672,   1.547,  -1.346)  ( 0.00,  0.00,  0.00)
167:     electro (  4.382, -10.762,   5.553)  (  4.382, -10.762,   5.553)  ( 0.00,  0.00,  0.00)
167:  6       ( -4.199,  -1.254,   0.172)  ( -3.655,  -1.086,   0.159)  (12.96, 13.38,  0.22)
167:     bond    ( -6.118,  25.827,  17.156)  ( -6.117,  25.831,  17.166)  ( 0.01,  0.01,  0.06)
167:     angle   (  9.068, -20.566, -11.815)  (  9.068, -20.564, -11.813)  ( 0.00,  0.01,  0.02)
167:     strbnd  (  0.570,  -2.941, -11.227)  (  0.570,  -2.942, -11.229)  ( 0.00,  0.01,  0.02)
167:     torsion ( -5.124,  -1.707,   0.094)  ( -5.124,  -1.707,   0.094)  ( 0.01,  0.00,  0.00)
167:     oop     ( -3.387,  -0.966,   0.184)  ( -2.844,  -0.804,   0.160)  (16.04, 15.71,  0.44)
167:     vdw     (  0.760,  -1.774,   1.397)  (  0.760,  -1.774,   1.397)  ( 0.00,  0.00,  0.00)
167:     electro (  0.031,   0.874,   4.384)  (  0.031,   0.874,   4.384)  ( 0.00,  0.00,  0.00)
167:  7       ( 13.481,   5.087,  -2.487)  ( 12.579,   4.741,  -2.343)  ( 6.69,  6.79,  5.82)
167:     bond    (  0.090,   4.496, -20.215)  (  0.091,   4.501, -20.209)  ( 0.01,  0.11,  0.03)
167:     angle   (-15.244,  23.751,  22.270)  (-15.243,  23.753,  22.272)  ( 0.00,  0.01,  0.01)
167:     strbnd  (  1.022,  -1.367,  -2.985)  (  1.022,  -1.367,  -2.985)  ( 0.02,  0.04,  0.02)
167:     torsion ( 13.582,   4.422,  -0.322)  ( 13.582,   4.422,  -0.322)  ( 0.00,  0.00,  0.00)
167:     oop     (  6.172,   2.314,  -1.085)  (  5.268,   1.962,  -0.948)  (14.64, 15.20, 12.65)
167:     vdw     (  1.549,  -6.037,  -1.007)  (  1.549,  -6.037,  -1.007)  ( 0.00,  0.00,  0.00)
167:     electro (  6.310, -22.492,   0.857)  (  6.310, -22.492,   0.857)  ( 0.00,  0.00,  0.00)
167:  8       ( -0.016,  -0.012,   0.004)  ( -0.130,  -0.041,   0.020)  ( 0.18,  0.04,  0.01)
167:     bond    ( -0.074,   3.834,  13.477)  ( -0.074,   3.834,  13.485)  ( 0.00,  0.02,  0.06)
167:     angle   ( -0.976,   3.229,  -0.924)  ( -0.976,   3.229,  -0.924)  ( 0.00,  0.02,  0.01)
167:     strbnd  (  0.552,  -0.030,   7.860)  (  0.552,  -0.029,   7.860)  ( 0.00,  0.00,  0.00)
167:     torsion (  1.551,   0.406,  -0.107)  (  1.551,   0.406,  -0.107)  ( 0.01,  0.00,  0.00)
167:     oop     (  0.503,   0.135,  -0.036)  (  0.388,   0.104,  -0.028)  ( 5.76,  0.41,  0.03)
167:     vdw     ( -0.515,  -2.328,  -5.755)  ( -0.515,  -2.328,  -5.755)  ( 0.00,  0.01,  0.00)
167:     electro ( -1.057,  -5.257, -14.512)  ( -1.057,  -5.257, -14.512)  ( 0.00,  0.00,  0.00)
167:  9       ( -3.870,  -2.135,   0.618)  ( -3.613,  -1.990,   0.587)  ( 6.65,  6.81,  1.92)
167:     bond    ( -4.936,   9.104,   1.104)  ( -4.935,   9.107,   1.104)  ( 0.02,  0.03,  0.01)
167:     angle   (  2.548,   2.956, -12.993)  (  2.548,   2.956, -12.993)  ( 0.00,  0.00,  0.01)
167:     strbnd  ( -3.655,   7.442,  -0.124)  ( -3.655,   7.443,  -0.124)  ( 0.00,  0.00,  0.00)
167:     torsion ( -4.666,  -2.462,  -0.552)  ( -4.665,  -2.461,  -0.552)  ( 0.00,  0.00,  0.00)
167:     oop     ( -1.651,  -0.927,   0.264)  ( -1.394,  -0.784,   0.232)  (15.54, 13.24,  0.84)
167:     vdw     (  2.138,  -3.876,   4.785)  (  2.138,  -3.876,   4.785)  ( 0.00,  0.00,  0.00)
167:     electro (  6.351, -14.374,   8.135)  (  6.351, -14.374,   8.135)  ( 0.00,  0.00,  0.00)
167: 10       ( -5.402,  -1.721,   1.667)  ( -5.102,  -1.621,   1.576)  ( 5.57,  5.84,  5.47)
167:     bond    ( -0.018,  -0.075,  -0.136)  ( -0.018,  -0.074,  -0.133)  ( 0.00,  0.01,  0.05)
167:     angle   (  4.844,  -9.644,   4.710)  (  4.844,  -9.644,   4.711)  ( 0.00,  0.01,  0.00)
167:     strbnd  (  0.264,  -0.055,  -0.251)  (  0.264,  -0.055,  -0.251)  ( 0.00,  0.00,  0.00)
167:     torsion ( -4.480,  -0.424,   0.834)  ( -4.479,  -0.424,   0.834)  ( 0.00,  0.00,  0.00)
167:     oop     ( -2.303,  -0.738,   0.718)  ( -2.003,  -0.639,   0.623)  (13.05,  7.29,  6.82)
167:     vdw     (  0.672,  -1.547,   1.346)  (  0.672,  -1.547,   1.346)  ( 0.00,  0.00,  0.00)
167:     electro ( -4.382,  10.762,  -5.553)  ( -4.382,  10.762,  -5.553)  ( 0.00,  0.00,  0.00)
167: ok 16 # gradients 
164:     angle   (  1.122,  -0.757,   2.811)  (  1.123,  -0.756,   2.813)  ( 0.09,  0.04,  0.06)
164:     strbnd  (  2.035,  -1.610,  -1.356)  (  2.035,  -1.610,  -1.356)  ( 0.01,  0.01,  0.01)
164:     torsion ( -0.226,  -0.307,   0.011)  ( -0.225,  -0.307,   0.011)  ( 0.01,  0.03,  0.00)
164:     oop     ( -0.009,  -0.013,  -0.000)  ( -0.008,  -0.010,  -0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.387,  -0.990, -13.718)  (  1.387,  -0.990, -13.718)  ( 0.00,  0.00,  0.00)
164:     electro (  0.120,   0.021,   1.244)  (  0.120,   0.021,   1.244)  ( 0.00,  0.00,  0.00)
164: 24       (  0.020,  -0.128,  -0.527)  (  0.034,  -0.112,  -0.520)  ( 0.03,  0.20,  0.37)
164:     bond    ( -7.605,   5.610,   5.554)  ( -7.601,   5.612,   5.560)  ( 0.05,  0.04,  0.10)
164:     angle   ( -1.737,   1.343,   0.082)  ( -1.736,   1.343,   0.083)  ( 0.06,  0.05,  0.01)
164:     strbnd  (  0.340,  -0.282,  -1.073)  (  0.340,  -0.282,  -1.073)  ( 0.00,  0.00,  0.02)
164:     torsion (  0.141,   0.176,   0.004)  (  0.142,   0.177,   0.004)  ( 0.01,  0.01,  0.00)
164:     oop     ( -0.055,  -0.073,  -0.001)  ( -0.046,  -0.061,  -0.001)  ( 0.05,  0.09,  0.00)
164:     vdw     (  9.119,  -7.021,  -4.701)  (  9.119,  -7.021,  -4.701)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.183,   0.118,  -0.392)  ( -0.183,   0.118,  -0.392)  ( 0.00,  0.00,  0.00)
164: 25       (  0.159,   0.213,   0.583)  (  0.143,   0.190,   0.589)  ( 0.26,  0.50,  0.38)
164:     bond    (-11.078,   8.736,  -4.694)  (-11.074,   8.738,  -4.688)  ( 0.03,  0.02,  0.12)
164:     angle   (  1.300,  -0.887,  -3.803)  (  1.301,  -0.886,  -3.801)  ( 0.08,  0.06,  0.05)
164:     strbnd  (  1.316,  -0.991,   0.244)  (  1.316,  -0.991,   0.244)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.076,  -0.091,   0.002)  ( -0.076,  -0.090,   0.002)  ( 0.00,  0.01,  0.00)
164:     oop     (  0.140,   0.179,   0.005)  (  0.119,   0.152,   0.004)  ( 0.30,  0.49,  0.00)
164:     vdw     (  8.950,  -6.944,   9.005)  (  8.950,  -6.943,   9.005)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.393,   0.211,  -0.176)  ( -0.393,   0.211,  -0.176)  ( 0.00,  0.00,  0.00)
164: 26       (  0.084,   0.183,  -0.225)  (  0.142,   0.255,  -0.217)  ( 0.48,  1.32,  0.18)
164:     bond    ( -0.944,   0.846, -18.247)  ( -0.940,   0.848, -18.243)  ( 0.30,  0.17,  0.02)
164:     angle   (  7.126,  -5.296,   3.718)  (  7.127,  -5.296,   3.720)  ( 0.01,  0.01,  0.05)
164:     strbnd  ( -7.430,   5.904,   0.945)  ( -7.430,   5.904,   0.944)  ( 0.00,  0.00,  0.05)
164:     torsion ( -0.866,  -1.152,  -0.063)  ( -0.866,  -1.152,  -0.063)  ( 0.03,  0.06,  0.00)
164:     oop     ( -0.313,  -0.407,  -0.015)  ( -0.261,  -0.338,  -0.012)  ( 1.66,  2.81,  0.00)
164:     vdw     (  3.069,  -0.873,  13.253)  (  3.069,  -0.873,  13.253)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.557,   1.161,   0.184)  ( -0.557,   1.161,   0.184)  ( 0.00,  0.00,  0.00)
164: 27       ( -0.315,  -0.428,   0.139)  ( -0.314,  -0.427,   0.141)  ( 0.05,  0.03,  0.03)
164:     bond    (  2.446,  -1.770,   2.501)  (  2.447,  -1.769,   2.503)  ( 0.06,  0.04,  0.06)
164:     angle   ( -1.543,   1.181,   2.343)  ( -1.543,   1.181,   2.344)  ( 0.01,  0.01,  0.02)
164:     strbnd  ( -1.339,   0.977,  -0.789)  ( -1.339,   0.977,  -0.789)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.988,   1.336,  -0.022)  (  0.988,   1.336,  -0.022)  ( 0.01,  0.02,  0.00)
164:     oop     (  0.002,   0.003,  -0.000)  (  0.002,   0.002,  -0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.259,  -2.708,  -3.410)  (  1.260,  -2.708,  -3.410)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.129,   0.554,  -0.484)  ( -2.129,   0.554,  -0.484)  ( 0.00,  0.00,  0.00)
164: 28       (  0.161,   0.473,  -0.074)  (  0.162,   0.473,  -0.072)  ( 0.01,  0.00,  0.01)
164:     bond    ( -1.791,   1.438,  -1.751)  ( -1.790,   1.439,  -1.750)  ( 0.08,  0.07,  0.08)
164:     angle   ( -0.694,   0.523,   1.139)  ( -0.694,   0.523,   1.139)  ( 0.01,  0.00,  0.04)
164:     strbnd  (  0.572,  -0.470,   0.906)  (  0.572,  -0.470,   0.906)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.222,   0.282,   0.005)  (  0.222,   0.283,   0.005)  ( 0.00,  0.01,  0.00)
164:     oop     (  0.006,   0.008,   0.000)  (  0.005,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.510,  -1.901,  -1.427)  (  2.510,  -1.901,  -1.427)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.665,   0.593,   1.054)  ( -0.665,   0.593,   1.054)  ( 0.00,  0.00,  0.00)
164: 29       (  0.385,   0.558,   0.067)  (  0.367,   0.535,   0.068)  ( 0.68,  1.30,  0.01)
164:     bond    (  0.302,  -0.086,  -3.852)  (  0.302,  -0.086,  -3.850)  ( 0.00,  0.00,  0.06)
164:     angle   ( -6.191,   4.765,  -0.593)  ( -6.191,   4.765,  -0.593)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  0.076,   0.015,  -2.804)  (  0.076,   0.015,  -2.804)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.648,   0.848,   0.032)  (  0.648,   0.848,   0.032)  ( 0.00,  0.01,  0.00)
164:     oop     (  0.111,   0.143,   0.005)  (  0.093,   0.120,   0.005)  ( 0.20,  0.34,  0.00)
164:     vdw     (  5.741,  -5.031,   8.170)  (  5.741,  -5.031,   8.171)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.302,  -0.096,  -0.891)  ( -0.302,  -0.096,  -0.891)  ( 0.00,  0.00,  0.00)
164: 30       ( -0.388,  -0.464,  -0.137)  ( -0.390,  -0.467,  -0.134)  ( 0.06,  0.11,  0.05)
164:     bond    ( -0.285,   0.192,   2.526)  ( -0.284,   0.192,   2.529)  ( 0.00,  0.00,  0.15)
164:     angle   (  0.191,  -0.141,   0.032)  (  0.191,  -0.141,   0.032)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( -0.092,   0.073,  -0.831)  ( -0.092,   0.073,  -0.831)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.351,  -0.466,  -0.004)  ( -0.351,  -0.466,  -0.004)  ( 0.00,  0.01,  0.00)
164:     oop     (  0.013,   0.017,   0.000)  (  0.011,   0.014,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.124,  -0.078,  -0.755)  (  0.124,  -0.078,  -0.755)  ( 0.00,  0.00,  0.00)
164:     electro (  0.011,  -0.061,  -1.105)  (  0.011,  -0.061,  -1.105)  ( 0.00,  0.00,  0.00)
164: 31       ( -0.193,   0.021,   0.101)  ( -0.196,   0.016,   0.102)  ( 0.05,  0.01,  0.01)
164:     bond    ( -1.807,   1.366,   0.917)  ( -1.805,   1.368,   0.917)  ( 0.11,  0.09,  0.05)
164:     angle   (  0.005,   0.002,   0.007)  (  0.005,   0.002,   0.008)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  0.452,  -0.351,  -0.140)  (  0.452,  -0.351,  -0.140)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.111,  -0.144,  -0.004)  ( -0.110,  -0.143,  -0.004)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.028,   0.036,   0.000)  (  0.023,   0.030,   0.000)  ( 0.01,  0.02,  0.00)
164:     vdw     (  0.558,  -0.417,  -0.304)  (  0.558,  -0.417,  -0.304)  ( 0.00,  0.00,  0.00)
164:     electro (  0.682,  -0.472,  -0.376)  (  0.682,  -0.472,  -0.376)  ( 0.00,  0.00,  0.00)
164: 32       ( -0.425,  -0.505,  -0.048)  ( -0.365,  -0.520,  -0.079)  ( 2.55,  0.73,  0.15)
164:     bond    ( -5.280,  -7.572,  -4.556)  ( -5.277,  -7.567,  -4.554)  ( 0.05,  0.06,  0.04)
164:     angle   ( -0.110,   0.279,  -0.337)  ( -0.110,   0.279,  -0.337)  ( 0.00,  0.01,  0.02)
164:     strbnd  (  1.293,   1.229,   1.466)  (  1.293,   1.229,   1.466)  ( 0.00,  0.01,  0.01)
164:     torsion (  1.739,  -0.595,  -1.027)  (  1.739,  -0.595,  -1.027)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.260,   0.090,   0.151)  ( -0.202,   0.070,   0.118)  ( 1.49,  0.18,  0.50)
164:     vdw     (  4.932,   0.142,   8.178)  (  4.933,   0.142,   8.178)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.741,   5.922,  -3.924)  ( -2.741,   5.922,  -3.924)  ( 0.00,  0.00,  0.00)
164: 33       (  0.059,   0.082,  -0.083)  (  0.093,   0.076,  -0.098)  ( 0.20,  0.05,  0.12)
164:     bond    (  4.715,   4.557,   6.062)  (  4.716,   4.560,   6.065)  ( 0.02,  0.07,  0.06)
164:     angle   ( -7.689, -18.240,  -5.025)  ( -7.688, -18.238,  -5.024)  ( 0.01,  0.01,  0.01)
164:     strbnd  (  3.295,  -2.419,   7.181)  (  3.295,  -2.419,   7.181)  ( 0.00,  0.01,  0.00)
164:     torsion ( -1.716,   0.412,   0.834)  ( -1.716,   0.412,   0.834)  ( 0.01,  0.00,  0.00)
164:     oop     ( -0.210,   0.072,   0.121)  ( -0.178,   0.061,   0.103)  ( 0.68,  0.08,  0.23)
164:     vdw     (  1.937,  10.751,  -6.247)  (  1.938,  10.752,  -6.247)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.274,   4.948,  -3.009)  ( -0.274,   4.948,  -3.009)  ( 0.00,  0.00,  0.00)
164: 34       (  0.389,   0.093,   0.080)  (  0.395,   0.098,   0.086)  ( 0.24,  0.05,  0.05)
164:     bond    ( -0.334,  -4.761,   2.356)  ( -0.329,  -4.757,   2.361)  ( 0.15,  0.10,  0.19)
164:     angle   (  0.189,   3.946,   0.226)  (  0.190,   3.948,   0.228)  ( 0.03,  0.05,  0.04)
164:     strbnd  (  0.552,   0.973,   0.402)  (  0.551,   0.972,   0.402)  ( 0.02,  0.16,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y3i_la8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y41_ipm.sdf
160/208 Test #167: test_ffmmff94_4 ..................   Passed    0.25 sec
test 168
        Start 168: test_ffmmff94_5
168: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "ffmmff94" "5"
168: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
168: Environment variables: 
168:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
168:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
168: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y5f_xwg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y5g_fjd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y5h_y5h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y5k_ycu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y5l_ro8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y60_m8f.sdf
168: # Testing MMFF94 Force Field...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y66_n04.sdf
163: 31       (-24.628,   9.539, -16.258)  (-24.624,   9.545, -16.233)  ( 0.02,  0.06,  0.16)
163:     bond    ( -1.471,   4.253, -13.478)  ( -1.471,   4.256, -13.453)  ( 0.02,  0.06,  0.18)
163:     angle   (-21.315,   8.697,   5.082)  (-21.311,   8.700,   5.082)  ( 0.02,  0.03,  0.01)
163:     torsion ( -3.798,   2.727,   1.278)  ( -3.798,   2.727,   1.278)  ( 0.00,  0.00,  0.00)
163:     vdw     (  1.957,  -6.137,  -9.140)  (  1.957,  -6.137,  -9.140)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 32       (267.216, 221.662, -108.445)  (267.232, 221.677, -108.439)  ( 0.01,  0.01,  0.01)
163:     bond    (250.100, 215.399, -125.960)  (250.113, 215.408, -125.958)  ( 0.01,  0.00,  0.00)
163:     angle   (  2.594,   1.539,   7.794)  (  2.597,   1.544,   7.797)  ( 0.10,  0.32,  0.04)
163:     torsion (  2.306,  -0.267,   4.123)  (  2.306,  -0.267,   4.123)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 12.243,   5.078,   5.570)  ( 12.244,   5.078,   5.571)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.028,  -0.087,   0.029)  ( -0.028,  -0.087,   0.029)  ( 0.00,  0.00,  0.00)
163: 33       ( 94.657, -75.303,  31.434)  ( 94.664, -75.239,  31.434)  ( 0.01,  0.09,  0.00)
163:     bond    ( -6.861, -41.473,   0.804)  ( -6.859, -41.410,   0.804)  ( 0.02,  0.15,  0.01)
163:     angle   ( 79.707, -13.015,   9.723)  ( 79.711, -13.015,   9.723)  ( 0.01,  0.00,  0.00)
163:     torsion ( -2.073,   0.690,  17.856)  ( -2.073,   0.690,  17.856)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 26.743, -24.254,   3.560)  ( 26.743, -24.253,   3.560)  ( 0.00,  0.00,  0.00)
163:     electro ( -2.859,   2.749,  -0.509)  ( -2.859,   2.749,  -0.509)  ( 0.00,  0.00,  0.00)
163: 34       (-162.925, -385.483,   0.508)  (-162.878, -385.447,   0.513)  ( 0.03,  0.01,  0.25)
163:     bond    (-118.840, -234.811,   0.749)  (-118.797, -234.783,   0.751)  ( 0.04,  0.01,  0.17)
163:     angle   (-31.194, -139.586,   3.796)  (-31.192, -139.579,   3.796)  ( 0.01,  0.01,  0.02)
163:     torsion (  0.858,  -0.272,  -6.868)  (  0.858,  -0.272,  -6.867)  ( 0.00,  0.00,  0.03)
163:     vdw     (-15.468, -14.017,   4.082)  (-15.468, -14.017,   4.082)  ( 0.00,  0.00,  0.00)
163:     electro (  1.719,   3.204,  -1.249)  (  1.719,   3.204,  -1.249)  ( 0.00,  0.00,  0.00)
163: 35       (142.773, 236.088,  -1.496)  (142.802, 236.107,  -1.493)  ( 0.02,  0.01,  0.17)
163:     bond    (206.434, 163.892,  13.017)  (206.460, 163.909,  13.018)  ( 0.01,  0.01,  0.01)
163:     angle   (-39.945,  50.897,  -7.365)  (-39.944,  50.898,  -7.365)  ( 0.00,  0.00,  0.00)
163:     torsion (  0.431,  -0.230,  -3.930)  (  0.431,  -0.230,  -3.929)  ( 0.00,  0.00,  0.03)
163:     vdw     (-27.097,  24.813,  -4.027)  (-27.097,  24.813,  -4.027)  ( 0.00,  0.00,  0.00)
163:     electro (  2.951,  -3.283,   0.810)  (  2.951,  -3.283,   0.810)  ( 0.00,  0.00,  0.00)
163: 36       (-348.144,  45.726, -15.226)  (-348.081,  45.755, -15.186)  ( 0.02,  0.06,  0.26)
163:     bond    (-239.050,  39.747, -32.741)  (-238.998,  39.769, -32.711)  ( 0.02,  0.06,  0.09)
163:     angle   (-98.891,  -1.257,  19.357)  (-98.879,  -1.249,  19.367)  ( 0.01,  0.59,  0.05)
163:     torsion (-12.409,   2.698,  -2.484)  (-12.409,   2.697,  -2.484)  ( 0.00,  0.03,  0.02)
163:     vdw     (  2.205,   4.537,   0.642)  (  2.205,   4.537,   0.642)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 37       (260.970, 137.842, 191.207)  (261.009, 137.882, 191.260)  ( 0.02,  0.03,  0.03)
163:     bond    (191.217, 106.275, 118.659)  (191.249, 106.307, 118.700)  ( 0.02,  0.03,  0.03)
163:     angle   ( 64.540,  22.288,  66.066)  ( 64.548,  22.296,  66.078)  ( 0.01,  0.04,  0.02)
163:     torsion (  9.181,   7.136,   5.651)  (  9.180,   7.135,   5.651)  ( 0.01,  0.01,  0.00)
163:     vdw     ( -3.968,   2.143,   0.831)  ( -3.968,   2.143,   0.831)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 38       ( 16.136,  59.317, -86.231)  ( 16.143,  59.328, -86.216)  ( 0.04,  0.02,  0.02)
163:     bond    (-31.265,  54.954, -64.675)  (-31.262,  54.964, -64.661)  ( 0.01,  0.02,  0.02)
163:     angle   ( 44.812,   3.736, -18.493)  ( 44.817,   3.737, -18.492)  ( 0.01,  0.02,  0.01)
163:     torsion (  6.391,  -0.139,  -3.207)  (  6.390,  -0.139,  -3.208)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -3.801,   0.766,   0.144)  ( -3.801,   0.766,   0.144)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 39       (-24.158, -54.978,  89.296)  (-24.143, -54.974,  89.310)  ( 0.06,  0.01,  0.02)
163:     bond    (-61.767, -23.258,  61.775)  (-61.754, -23.257,  61.787)  ( 0.02,  0.01,  0.02)
163:     angle   ( 34.251, -33.220,  21.730)  ( 34.254, -33.218,  21.732)  ( 0.01,  0.01,  0.01)
163:     torsion (  5.676,  -2.819,   4.611)  (  5.675,  -2.819,   4.611)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -2.318,   4.320,   1.179)  ( -2.318,   4.320,   1.179)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 40       ( 26.973,  60.878, -82.459)  ( 26.982,  60.894, -82.450)  ( 0.03,  0.03,  0.01)
163:     bond    ( 49.149,  67.374, -37.914)  ( 49.157,  67.388, -37.910)  ( 0.02,  0.02,  0.01)
163:     angle   (-22.261,  -6.635, -40.663)  (-22.260,  -6.635, -40.658)  ( 0.01,  0.01,  0.01)
163:     torsion ( -2.626,  -1.535,  -6.134)  ( -2.626,  -1.535,  -6.134)  ( 0.01,  0.01,  0.00)
163:     vdw     (  2.712,   1.675,   2.252)  (  2.712,   1.675,   2.252)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 41       (-17.184, -55.174,  88.068)  (-17.181, -55.171,  88.094)  ( 0.02,  0.01,  0.03)
163:     bond    ( 16.566, -13.316,  86.606)  ( 16.566, -13.315,  86.633)  ( 0.00,  0.00,  0.03)
163:     angle   (-30.264, -36.708,   0.145)  (-30.261, -36.704,   0.145)  ( 0.01,  0.01,  0.00)
163:     torsion ( -6.068,  -5.375,   0.334)  ( -6.068,  -5.375,   0.334)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.582,   0.224,   0.982)  (  2.582,   0.224,   0.982)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 42       ( 11.928,  73.660, -65.040)  ( 11.931,  73.665, -65.015)  ( 0.03,  0.01,  0.04)
163:     bond    ( 19.792,   1.676, -61.552)  ( 19.794,   1.675, -61.526)  ( 0.01,  0.02,  0.04)
163:     angle   ( -6.567,  67.409,  -0.277)  ( -6.566,  67.413,  -0.277)  ( 0.01,  0.01,  0.00)
163:     torsion ( -1.571,   7.699,  -0.296)  ( -1.572,   7.699,  -0.296)  ( 0.01,  0.00,  0.00)
163:     vdw     (  0.274,  -3.123,  -2.916)  (  0.275,  -3.123,  -2.916)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 24 # gradients 
163: ok 25 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (473.590, -2725.065, -91.006)  (473.669, -2725.008, -90.997)  ( 0.02,  0.00,  0.01)
163:     bond    (570.063, -2587.592, -73.527)  (570.134, -2587.549, -73.519)  ( 0.01,  0.00,  0.01)
163:     angle   (-97.632, -137.351, -17.200)  (-97.625, -137.337, -17.201)  ( 0.01,  0.01,  0.00)
163:     torsion (  0.039,   0.013,  -0.294)  (  0.039,   0.013,  -0.293)  ( 0.00,  0.00,  0.05)
163:     vdw     (  1.094,  -0.150,   0.082)  (  1.094,  -0.150,   0.082)  ( 0.00,  0.00,  0.00)
163:     electro (  0.027,   0.016,  -0.067)  (  0.027,   0.016,  -0.067)  ( 0.00,  0.00,  0.00)
163:  2       (456.237, -40.002,  47.232)  (456.330, -39.924,  47.237)  ( 0.02,  0.19,  0.01)
163:     bond    (484.272, -90.146,  51.927)  (484.352, -90.080,  51.929)  ( 0.02,  0.07,  0.00)
163:     angle   (-27.516,  51.039,  -0.309)  (-27.503,  51.050,  -0.309)  ( 0.05,  0.02,  0.01)
163:     torsion (  0.507,   0.271,  -4.293)  (  0.507,   0.271,  -4.290)  ( 0.00,  0.00,  0.07)
163:     vdw     ( -1.088,  -1.174,   0.018)  ( -1.088,  -1.174,   0.018)  ( 0.01,  0.00,  0.00)
163:     electro (  0.062,   0.008,  -0.111)  (  0.062,   0.008,  -0.111)  ( 0.00,  0.00,  0.00)
163:  3       (-439.682, 272.667, -20.145)  (-439.604, 272.755, -20.140)  ( 0.02,  0.03,  0.03)
163:     bond    (-434.344, 334.129, -31.017)  (-434.277, 334.205, -31.016)  ( 0.02,  0.02,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y67_n21.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y68_t04.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y6c_tqi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y6d_tqj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y6f_m9f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y76_cb7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y77_cb8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y7x_mza.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y7z_c0z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y81_931.sdf
166:     bond    ( 26.876, -35.755,  12.130)  ( 26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
166:     angle   (  0.078,   0.012,   0.005)  (  0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( 17.157, -20.001,  12.412)  ( 17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
166:     torsion (  0.014,  -0.020,  -0.017)  (  0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.002,  -0.006,  -0.006)  (  0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.164,   3.556,  14.019)  (  3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 13       ( 52.205, -38.554, -47.306)  ( 52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
166:     bond    ( 35.751, -12.136, -26.884)  ( 35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
166:     angle   ( -0.014,  -0.007,  -0.081)  ( -0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( 20.000, -12.414, -17.160)  ( 20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
166:     torsion (  0.019,   0.017,  -0.014)  (  0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.006,   0.005,  -0.002)  (  0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.556, -14.019,  -3.165)  ( -3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 14       (-23.913,   8.348, -75.934)  (-23.905,   8.353, -75.928)  ( 0.03,  0.06,  0.01)
166:     bond    ( -7.494,  14.575, -43.264)  ( -7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
166:     angle   ( -0.029,   0.011,   0.075)  ( -0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( -7.698,   4.670, -27.652)  ( -7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.018,  -0.031,   0.017)  ( -0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.006,  -0.012,   0.004)  ( -0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -8.667, -10.865,  -5.113)  ( -8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 15       ( 52.205, -38.554,  47.292)  ( 52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
166:     bond    ( 35.751, -12.136,  26.876)  ( 35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
166:     angle   ( -0.014,  -0.007,   0.078)  ( -0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( 20.000, -12.414,  17.157)  ( 20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
166:     torsion (  0.019,   0.017,   0.014)  (  0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.006,   0.005,   0.002)  (  0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.556, -14.019,   3.164)  ( -3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 16       (-70.710,  37.607,  -0.007)  (-70.701,  37.611,  -0.000)  ( 0.01,  0.01,  0.00)
166:     bond    (-34.133,  31.159,  -0.003)  (-34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
166:     angle   ( -0.024,   0.050,  -0.002)  ( -0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
166:     strbnd  (-24.743,  15.275,  -0.001)  (-24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.006,   0.020,  -0.000)  (  0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.005,   0.010,  -0.000)  (  0.005,   0.011,  -0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (-11.821,  -8.908,  -0.000)  (-11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 17       ( 38.542, -47.306, -52.215)  ( 38.549, -47.297, -52.209)  ( 0.02,  0.02,  0.01)
166:     bond    ( 12.130, -26.884, -35.755)  ( 12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
166:     angle   (  0.005,  -0.081,   0.012)  (  0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
166:     strbnd  ( 12.412, -17.160, -20.001)  ( 12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.017,  -0.014,  -0.020)  ( -0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.006,  -0.002,  -0.006)  ( -0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 14.019,  -3.165,   3.556)  ( 14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 18       (-47.306,  52.205,  38.542)  (-47.297,  52.209,  38.549)  ( 0.02,  0.01,  0.02)
166:     bond    (-26.884,  35.751,  12.130)  (-26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
166:     angle   ( -0.081,  -0.014,   0.005)  ( -0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
166:     strbnd  (-17.160,  20.000,  12.412)  (-17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
166:     torsion ( -0.014,   0.019,  -0.017)  ( -0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.002,   0.006,  -0.006)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.165,  -3.556,  14.019)  ( -3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 19       (-23.913,   8.348,  75.919)  (-23.905,   8.353,  75.928)  ( 0.03,  0.06,  0.01)
166:     bond    ( -7.494,  14.575,  43.256)  ( -7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
166:     angle   ( -0.029,   0.011,  -0.077)  ( -0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( -7.698,   4.670,  27.650)  ( -7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.018,  -0.031,  -0.018)  ( -0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.006,  -0.012,  -0.004)  ( -0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -8.667, -10.865,   5.113)  ( -8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 20       ( 23.900,   8.348, -75.934)  ( 23.905,   8.353, -75.928)  ( 0.02,  0.06,  0.01)
166:     bond    (  7.487,  14.575, -43.264)  (  7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
166:     angle   (  0.026,   0.011,   0.075)  (  0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
166:     strbnd  (  7.696,   4.670, -27.652)  (  7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.018,  -0.031,   0.017)  (  0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.006,  -0.012,   0.004)  (  0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     (  8.667, -10.865,  -5.113)  (  8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 21       ( 38.542,  47.292, -52.215)  ( 38.549,  47.297, -52.209)  ( 0.02,  0.01,  0.01)
166:     bond    ( 12.130,  26.876, -35.755)  ( 12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
166:     angle   (  0.005,   0.078,   0.012)  (  0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
166:     strbnd  ( 12.412,  17.157, -20.001)  ( 12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.017,   0.014,  -0.020)  ( -0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.006,   0.002,  -0.006)  ( -0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 14.019,   3.164,   3.556)  ( 14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 22       ( 37.607,  -0.007,  70.694)  ( 37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
166:     bond    ( 31.159,  -0.003,  34.123)  ( 31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
166:     angle   (  0.050,  -0.002,   0.021)  (  0.051,   0.000,   0.022)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( 15.275,  -0.001,  24.741)  ( 15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.020,  -0.000,  -0.007)  (  0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.010,  -0.000,  -0.005)  (  0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -8.908,  -0.000,  11.821)  ( -8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 23       ( 52.205,  38.542, -47.306)  ( 52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
166:     bond    ( 35.751,  12.130, -26.884)  ( 35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y88_2er.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2y91_98j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yac_937.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yak_osv.sdf
15: /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
164:     torsion (  1.469,  -0.111,  -0.152)  (  1.469,  -0.111,  -0.152)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.779,   1.527,  -7.078)  ( -3.779,   1.527,  -7.078)  ( 0.00,  0.00,  0.00)
164:     electro (  2.292,  -1.482,   4.326)  (  2.292,  -1.482,   4.326)  ( 0.00,  0.00,  0.00)
164: 35       (  0.303,   0.212,   0.053)  (  0.304,   0.213,   0.055)  ( 0.04,  0.01,  0.01)
164:     bond    (  0.249,   0.013,   0.448)  (  0.250,   0.013,   0.451)  ( 0.02,  0.00,  0.12)
164:     angle   (  0.291,   0.661,  -0.181)  (  0.291,   0.662,  -0.181)  ( 0.01,  0.04,  0.00)
164:     strbnd  ( -0.215,  -0.451,  -0.159)  ( -0.215,  -0.451,  -0.159)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.017,  -0.004,  -0.009)  (  0.017,  -0.004,  -0.009)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.039,  -0.007,  -0.046)  ( -0.039,  -0.007,  -0.046)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 36       (  0.432,   0.172,   0.118)  (  0.434,   0.174,   0.120)  ( 0.05,  0.03,  0.02)
164:     bond    (  0.425,  -0.592,  -0.547)  (  0.425,  -0.590,  -0.545)  ( 0.03,  0.08,  0.07)
164:     angle   (  1.840,  -0.935,   2.446)  (  1.841,  -0.935,   2.446)  ( 0.02,  0.03,  0.01)
164:     strbnd  (  0.155,  -0.679,  -0.026)  (  0.155,  -0.679,  -0.026)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.272,  -0.056,  -0.151)  ( -0.272,  -0.056,  -0.151)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.715,   2.434,  -1.604)  ( -1.715,   2.434,  -1.604)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 37       (  0.355,  -0.026,   0.062)  (  0.358,  -0.025,   0.062)  ( 0.11,  0.00,  0.00)
164:     bond    ( -0.517,  -0.155,   0.092)  ( -0.514,  -0.155,   0.092)  ( 0.16,  0.00,  0.00)
164:     angle   (  0.968,  -1.352,   3.151)  (  0.969,  -1.351,   3.152)  ( 0.01,  0.04,  0.01)
164:     strbnd  ( -0.412,  -0.566,   0.270)  ( -0.412,  -0.566,   0.270)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.011,  -0.098,  -0.229)  ( -0.011,  -0.098,  -0.229)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.326,   2.145,  -3.222)  (  0.326,   2.145,  -3.222)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: ok 26 # gradients 
164: ok 27 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yb9_ha0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ybs_s2g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ybt_dw0.sdf
163:     angle   (  0.578, -64.603,  -4.985)  (  0.589, -64.592,  -4.984)  ( 0.64,  0.02,  0.03)
163:     torsion ( -1.894,  -0.881,  16.709)  ( -1.894,  -0.881,  16.711)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -4.022,   4.022,  -0.852)  ( -4.022,   4.022,  -0.852)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       (-2540.305, -769.727, -316.047)  (-2540.258, -769.642, -316.037)  ( 0.00,  0.01,  0.00)
163:     bond    (-2564.733, -676.690, -321.730)  (-2564.698, -676.613, -321.723)  ( 0.00,  0.01,  0.00)
163:     angle   ( 27.297, -91.996,  12.159)  ( 27.308, -91.988,  12.161)  ( 0.04,  0.01,  0.01)
163:     torsion ( -0.005,  -0.273,  -6.256)  ( -0.005,  -0.273,  -6.254)  ( 0.00,  0.00,  0.02)
163:     vdw     ( -2.864,  -0.768,  -0.221)  ( -2.864,  -0.768,  -0.220)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (152.615,  23.670, -20.267)  (152.663,  23.722, -20.222)  ( 0.03,  0.22,  0.22)
163:     bond    (210.345, -55.349, -26.984)  (210.383, -55.310, -26.947)  ( 0.02,  0.07,  0.14)
163:     angle   (-50.047,  74.481,  16.185)  (-50.037,  74.494,  16.193)  ( 0.02,  0.02,  0.05)
163:     torsion (  0.131,   0.423,  -7.331)  (  0.131,   0.424,  -7.330)  ( 0.00,  0.01,  0.01)
163:     vdw     ( -7.814,   4.115,  -2.137)  ( -7.814,   4.115,  -2.137)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       (1785.590, 3194.715, 371.046)  (1785.622, 3194.747, 371.062)  ( 0.00,  0.00,  0.00)
163:     bond    (1706.986, 3075.895, 357.608)  (1707.015, 3075.923, 357.623)  ( 0.00,  0.00,  0.00)
163:     angle   ( 78.219, 118.734,  12.897)  ( 78.222, 118.737,  12.898)  ( 0.00,  0.00,  0.01)
163:     torsion ( -0.042,  -0.079,   0.498)  ( -0.042,  -0.079,   0.498)  ( 0.00,  0.00,  0.01)
163:     vdw     (  0.426,   0.166,   0.043)  (  0.426,   0.166,   0.043)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  7       ( 79.851,  46.237,  75.880)  ( 79.900,  46.286,  75.900)  ( 0.06,  0.11,  0.03)
163:     bond    ( 96.990,  49.734, 133.186)  ( 97.033,  49.778, 133.199)  ( 0.04,  0.09,  0.01)
163:     angle   (-23.803,   0.498, -50.811)  (-23.797,   0.504, -50.804)  ( 0.03,  0.28,  0.01)
163:     torsion (  3.659,  -4.370,  -7.003)  (  3.659,  -4.370,  -7.002)  ( 0.00,  0.00,  0.01)
163:     vdw     (  3.005,   0.375,   0.507)  (  3.005,   0.375,   0.507)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       (  1.028,  17.661, -26.397)  (  1.031,  17.684, -26.388)  ( 0.33,  0.13,  0.03)
163:     bond    (  0.649,  28.028, -13.838)  (  0.649,  28.050, -13.832)  ( 0.01,  0.08,  0.04)
163:     angle   ( 18.498, -10.591, -20.611)  ( 18.501, -10.590, -20.608)  ( 0.02,  0.01,  0.01)
163:     torsion (  0.531,   0.253,   0.537)  (  0.531,   0.253,   0.537)  ( 0.00,  0.00,  0.00)
163:     vdw     (-18.650,  -0.029,   7.514)  (-18.650,  -0.029,   7.514)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  9       ( -3.258, -11.551,  14.666)  ( -3.254, -11.547,  14.693)  ( 0.11,  0.04,  0.18)
163:     bond    (  1.501,   1.340,   9.477)  (  1.502,   1.341,   9.504)  ( 0.04,  0.04,  0.28)
163:     angle   ( 10.124, -22.656,   1.596)  ( 10.127, -22.652,   1.596)  ( 0.03,  0.02,  0.01)
163:     torsion ( -0.444,  -0.586,   0.153)  ( -0.444,  -0.586,   0.153)  ( 0.00,  0.00,  0.00)
163:     vdw     (-14.439,  10.351,   3.440)  (-14.439,  10.351,   3.440)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 10       (  8.999,  23.828,  -9.746)  (  9.046,  23.880,  -9.699)  ( 0.52,  0.22,  0.48)
163:     bond    (-48.888, 105.451, -60.397)  (-48.852, 105.493, -60.360)  ( 0.07,  0.04,  0.06)
163:     angle   ( 51.506, -71.132,  52.476)  ( 51.518, -71.122,  52.486)  ( 0.02,  0.01,  0.02)
163:     torsion (  2.888,  -2.402,  -0.834)  (  2.888,  -2.402,  -0.834)  ( 0.01,  0.01,  0.03)
163:     vdw     (  3.492,  -8.089,  -0.991)  (  3.493,  -8.089,  -0.991)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       (168.618, -73.192,  -8.367)  (168.664, -73.142,  -8.323)  ( 0.03,  0.07,  0.52)
163:     bond    (174.455, -73.803,  12.300)  (174.491, -73.766,  12.336)  ( 0.02,  0.05,  0.29)
163:     angle   ( -5.169,   2.391, -28.800)  ( -5.158,   2.404, -28.792)  ( 0.20,  0.57,  0.03)
163:     torsion ( -1.039,  -0.893,   8.375)  ( -1.039,  -0.893,   8.376)  ( 0.01,  0.02,  0.00)
163:     vdw     (  0.371,  -0.887,  -0.242)  (  0.371,  -0.887,  -0.242)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       ( 29.009,  -1.837, -22.246)  ( 29.025,  -1.824, -22.240)  ( 0.06,  0.69,  0.03)
163:     bond    ( 19.172, -16.718,  -8.157)  ( 19.186, -16.707,  -8.155)  ( 0.07,  0.06,  0.03)
163:     angle   ( 12.531,  27.144, -26.134)  ( 12.533,  27.146, -26.130)  ( 0.01,  0.01,  0.01)
163:     torsion ( -0.871,  -4.448,   7.065)  ( -0.871,  -4.448,   7.065)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -1.823,  -7.815,   4.980)  ( -1.822,  -7.815,   4.980)  ( 0.02,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 13       (-18.591,  20.067,  11.603)  (-18.588,  20.071,  11.630)  ( 0.02,  0.02,  0.24)
163:     bond    (  0.549,   0.488,   6.488)  (  0.549,   0.488,   6.515)  ( 0.01,  0.01,  0.42)
163:     angle   (-20.628,  20.227,   0.222)  (-20.625,  20.230,   0.222)  ( 0.02,  0.02,  0.00)
163:     torsion ( -3.898,   9.473,  -0.381)  ( -3.898,   9.473,  -0.381)  ( 0.00,  0.00,  0.00)
163:     vdw     (  5.386, -10.121,   5.274)  (  5.386, -10.120,   5.274)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 14       ( -4.732,  12.031, -27.864)  ( -4.729,  12.039, -27.840)  ( 0.06,  0.06,  0.08)
163:     bond    (  1.186,  -7.219, -16.041)  (  1.186,  -7.214, -16.018)  ( 0.00,  0.06,  0.14)
163:     angle   (  3.461,  11.430,  -4.894)  (  3.464,  11.433,  -4.893)  ( 0.08,  0.03,  0.01)
163:     torsion ( -3.441,   8.521,  -4.093)  ( -3.441,   8.521,  -4.093)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -5.938,  -0.701,  -2.837)  ( -5.938,  -0.701,  -2.837)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 15       (-13.698, -11.039,  21.550)  (-13.694, -11.022,  21.564)  ( 0.03,  0.15,  0.06)
163:     bond    ( -4.106, -16.342,  14.622)  ( -4.105, -16.327,  14.634)  ( 0.02,  0.09,  0.08)
163:     angle   ( -9.290,  14.645,  13.733)  ( -9.287,  14.646,  13.736)  ( 0.03,  0.01,  0.02)
163:     torsion (  4.719,  -6.094,  -5.475)  (  4.719,  -6.094,  -5.475)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -5.020,  -3.247,  -1.330)  ( -5.020,  -3.247,  -1.330)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 16       (  1.863,  81.697,   5.197)  (  1.890,  81.704,   5.198)  ( 1.45,  0.01,  0.01)
163:     bond    (-16.753,   4.379,  -1.879)  (-16.726,   4.381,  -1.879)  ( 0.16,  0.04,  0.01)
163:     angle   ( 19.859,  78.705,   6.738)  ( 19.860,  78.711,   6.738)  ( 0.00,  0.01,  0.00)
163:     torsion ( -0.066,  -0.028,   0.522)  ( -0.066,  -0.028,   0.523)  ( 0.00,  0.00,  0.02)
163:     vdw     ( -0.387,  -0.730,  -0.098)  ( -0.387,  -0.730,  -0.098)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.790,  -0.630,  -0.086)  ( -0.790,  -0.630,  -0.086)  ( 0.00,  0.00,  0.00)
163: 17       ( 16.835,   7.907,   3.018)  ( 16.841,   7.936,   3.018)  ( 0.03,  0.36,  0.02)
163:     bond    ( -0.453,   5.351,   0.238)  ( -0.453,   5.379,   0.238)  ( 0.01,  0.54,  0.00)
163:     angle   ( 16.859,   1.351,   1.571)  ( 16.865,   1.351,   1.571)  ( 0.03,  0.00,  0.01)
163:     torsion ( -0.089,  -0.042,   0.787)  ( -0.089,  -0.042,   0.788)  ( 0.00,  0.00,  0.06)
163:     vdw     ( -0.202,   0.587,   0.186)  ( -0.202,   0.587,   0.186)  ( 0.00,  0.00,  0.00)
163:     electro (  0.721,   0.661,   0.236)  (  0.721,   0.661,   0.236)  ( 0.00,  0.00,  0.00)
163: 18       (-99.292, 244.321, -59.455)  (-99.240, 244.368, -59.409)  ( 0.05,  0.02,  0.08)
163:     bond    (-148.417, 167.758, -176.834)  (-148.375, 167.796, -176.797)  ( 0.03,  0.02,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ybu_cx9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yc3_mw5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yca_zm3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ycf_ycf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ycm_30a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ycn_p61.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ycq_upx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ycr_hcw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ycs_nxp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yct_9po.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yct_pli.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ycw_cau.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ycz_i32.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ydf_io3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ydi_ydi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ydj_ydj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ydk_ydk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ydm_slc.sdf
163:     angle   ( 42.680,  72.995, 119.661)  ( 42.689,  73.003, 119.671)  ( 0.02,  0.01,  0.01)
163:     torsion (  1.407,   0.167,   0.022)  (  1.407,   0.167,   0.022)  ( 0.02,  0.01,  0.00)
163:     vdw     (  5.038,   3.401,  -2.304)  (  5.038,   3.402,  -2.304)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 19       ( 96.583, -100.565, -112.965)  ( 96.632, -100.532, -112.872)  ( 0.05,  0.03,  0.08)
163:     bond    ( 89.102, -72.229, -82.360)  ( 89.141, -72.204, -82.278)  ( 0.04,  0.03,  0.10)
163:     angle   (  6.652, -35.001, -29.477)  (  6.660, -34.996, -29.466)  ( 0.12,  0.02,  0.04)
163:     torsion ( -3.870,  -4.736,  -0.148)  ( -3.869,  -4.735,  -0.147)  ( 0.03,  0.03,  0.00)
163:     vdw     (  4.700,  11.402,  -0.981)  (  4.700,  11.402,  -0.981)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 20       (-96.914, -186.470, -88.497)  (-96.882, -186.398, -88.448)  ( 0.03,  0.04,  0.06)
163:     bond    (-78.790, -177.103, -33.032)  (-78.764, -177.044, -32.992)  ( 0.03,  0.03,  0.12)
163:     angle   (-37.779,  -5.578, -57.772)  (-37.775,  -5.566, -57.764)  ( 0.01,  0.22,  0.01)
163:     torsion (  3.007,  -1.147,  -2.059)  (  3.009,  -1.147,  -2.058)  ( 0.05,  0.02,  0.03)
163:     vdw     ( 16.394,  -2.558,   3.543)  ( 16.395,  -2.558,   3.543)  ( 0.00,  0.01,  0.00)
163:     electro (  0.254,  -0.083,   0.823)  (  0.254,  -0.083,   0.823)  ( 0.00,  0.00,  0.00)
163: 21       ( 18.115, -22.004,  18.288)  ( 18.119, -22.001,  18.316)  ( 0.02,  0.02,  0.15)
163:     bond    (  2.140,   2.802,  20.123)  (  2.140,   2.803,  20.150)  ( 0.01,  0.02,  0.13)
163:     angle   ( 15.176, -39.573,   3.891)  ( 15.179, -39.570,   3.891)  ( 0.02,  0.01,  0.00)
163:     torsion (  0.307,  -0.893,   0.092)  (  0.307,  -0.893,   0.092)  ( 0.00,  0.01,  0.00)
163:     vdw     (  0.491,  15.659,  -5.817)  (  0.492,  15.659,  -5.817)  ( 0.04,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 22       (-42.548,  36.110, 101.283)  (-42.494,  36.142, 101.373)  ( 0.13,  0.09,  0.09)
163:     bond    (-23.994,  20.120, 152.420)  (-23.949,  20.145, 152.498)  ( 0.19,  0.13,  0.05)
163:     angle   (-15.950,  11.852, -46.633)  (-15.942,  11.857, -46.621)  ( 0.05,  0.04,  0.03)
163:     torsion (  1.770,   2.186,  -0.008)  (  1.771,   2.188,  -0.008)  ( 0.06,  0.09,  0.00)
163:     vdw     ( -4.798,   2.484,  -4.355)  ( -4.798,   2.484,  -4.355)  ( 0.00,  0.00,  0.00)
163:     electro (  0.424,  -0.532,  -0.141)  (  0.424,  -0.532,  -0.141)  ( 0.00,  0.00,  0.00)
163: 23       (-43.446,  32.619, -30.428)  (-43.381,  32.658, -30.357)  ( 0.15,  0.12,  0.24)
163:     bond    (-51.035,  39.009, -46.081)  (-50.979,  39.040, -46.022)  ( 0.11,  0.08,  0.13)
163:     angle   (  8.095,  -5.547,  21.069)  (  8.103,  -5.543,  21.081)  ( 0.10,  0.08,  0.06)
163:     torsion ( -0.540,  -0.735,   0.027)  ( -0.538,  -0.733,   0.027)  ( 0.06,  0.15,  0.00)
163:     vdw     ( -0.067,  -0.023,  -5.994)  ( -0.067,  -0.023,  -5.994)  ( 0.00,  0.00,  0.00)
163:     electro (  0.101,  -0.083,   0.550)  (  0.101,  -0.083,   0.550)  ( 0.00,  0.00,  0.00)
163: 24       ( 43.655, -32.377,  -0.397)  ( 43.704, -32.347,  -0.301)  ( 0.11,  0.09,  3.82)
163:     bond    ( 53.195, -40.302,   1.077)  ( 53.234, -40.280,   1.160)  ( 0.07,  0.06,  7.75)
163:     angle   (-12.815,   9.925,   0.448)  (-12.807,   9.930,   0.461)  ( 0.06,  0.05,  0.56)
163:     torsion (  0.338,   0.422,   0.009)  (  0.339,   0.424,   0.009)  ( 0.04,  0.09,  0.00)
163:     vdw     (  3.486,  -2.810,  -1.722)  (  3.486,  -2.810,  -1.722)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.549,   0.389,  -0.208)  ( -0.549,   0.389,  -0.208)  ( 0.00,  0.00,  0.00)
163: 25       (-32.886,  25.469,  21.497)  (-32.834,  25.503,  21.587)  ( 0.16,  0.13,  0.42)
163:     bond    (-40.084,  29.921,  66.737)  (-40.040,  29.947,  66.813)  ( 0.11,  0.09,  0.12)
163:     angle   (  3.923,  -1.226, -49.132)  (  3.931,  -1.221, -49.119)  ( 0.20,  0.39,  0.03)
163:     torsion ( -0.183,  -0.218,   0.004)  ( -0.181,  -0.216,   0.004)  ( 0.02,  0.04,  0.00)
163:     vdw     (  3.666,  -3.125,   4.567)  (  3.666,  -3.124,   4.567)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.209,   0.118,  -0.679)  ( -0.209,   0.118,  -0.679)  ( 0.00,  0.00,  0.00)
163: 26       ( 19.751, -10.864, -138.067)  ( 19.814, -10.825, -138.002)  ( 0.32,  0.36,  0.05)
163:     bond    (-33.426,  30.737, -202.437)  (-33.371,  30.770, -202.385)  ( 0.16,  0.11,  0.03)
163:     angle   ( 51.930, -40.568,  58.813)  ( 51.936, -40.564,  58.827)  ( 0.01,  0.01,  0.02)
163:     torsion ( -0.221,  -0.407,  -0.147)  ( -0.220,  -0.405,  -0.147)  ( 0.02,  0.06,  0.00)
163:     vdw     (  1.469,  -0.626,   5.704)  (  1.469,  -0.626,   5.704)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 27       (  9.878,  -7.268,  34.221)  (  9.891,  -7.260,  34.237)  ( 0.13,  0.10,  0.04)
163:     bond    ( 18.852, -13.640,  19.276)  ( 18.863, -13.634,  19.287)  ( 0.06,  0.04,  0.06)
163:     angle   (-12.238,   9.361,  18.582)  (-12.237,   9.362,  18.585)  ( 0.01,  0.01,  0.02)
163:     torsion (  2.363,   3.195,  -0.052)  (  2.363,   3.196,  -0.052)  ( 0.01,  0.02,  0.00)
163:     vdw     (  1.457,  -6.242,  -3.795)  (  1.457,  -6.241,  -3.795)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.556,   0.058,   0.211)  ( -0.556,   0.058,   0.211)  ( 0.00,  0.00,  0.00)
163: 28       (-17.475,  14.834,  -2.649)  (-17.462,  14.842,  -2.635)  ( 0.07,  0.06,  0.54)
163:     bond    (-13.747,  11.035, -13.443)  (-13.735,  11.043, -13.432)  ( 0.08,  0.07,  0.08)
163:     angle   ( -5.564,   4.176,   9.118)  ( -5.562,   4.176,   9.121)  ( 0.02,  0.02,  0.04)
163:     torsion (  0.531,   0.676,   0.013)  (  0.531,   0.676,   0.013)  ( 0.02,  0.03,  0.00)
163:     vdw     (  1.658,  -1.338,   0.526)  (  1.658,  -1.338,   0.526)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.354,   0.285,   1.137)  ( -0.354,   0.285,   1.137)  ( 0.00,  0.00,  0.00)
163: 29       (-40.695,  27.606,  93.442)  (-40.693,  27.608,  93.464)  ( 0.01,  0.01,  0.02)
163:     bond    ( -7.021,   2.002,  89.351)  ( -7.022,   2.002,  89.373)  ( 0.00,  0.01,  0.02)
163:     angle   (-45.674,  35.582,  -4.385)  (-45.672,  35.584,  -4.385)  ( 0.00,  0.00,  0.00)
163:     torsion (  1.551,   2.029,   0.076)  (  1.551,   2.029,   0.076)  ( 0.01,  0.01,  0.00)
163:     vdw     ( 10.450, -12.007,   8.400)  ( 10.450, -12.007,   8.400)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 30       ( -0.829,  -1.200,  15.993)  ( -0.825,  -1.197,  16.022)  ( 0.36,  0.23,  0.18)
163:     bond    ( -2.181,   1.471,  19.357)  ( -2.181,   1.472,  19.386)  ( 0.02,  0.02,  0.15)
163:     angle   (  1.519,  -1.155,   0.259)  (  1.522,  -1.153,   0.259)  ( 0.23,  0.17,  0.00)
163:     torsion ( -0.839,  -1.115,  -0.010)  ( -0.839,  -1.115,  -0.010)  ( 0.02,  0.04,  0.00)
163:     vdw     (  0.546,  -0.339,  -2.337)  (  0.546,  -0.339,  -2.337)  ( 0.00,  0.00,  0.00)
163:     electro (  0.126,  -0.061,  -1.275)  (  0.126,  -0.061,  -1.275)  ( 0.00,  0.00,  0.00)
163: 31       (-11.407,   8.124,   5.758)  (-11.390,   8.134,   5.767)  ( 0.15,  0.12,  0.16)
163:     bond    (-13.844,  10.469,   7.022)  (-13.828,  10.478,   7.026)  ( 0.11,  0.09,  0.06)
163:     angle   (  0.011,  -0.028,   0.060)  (  0.012,  -0.028,   0.065)  ( 0.00,  0.00,  0.03)
163:     torsion ( -0.265,  -0.344,  -0.009)  ( -0.264,  -0.343,  -0.009)  ( 0.01,  0.02,  0.00)
163:     vdw     (  1.683,  -1.247,  -1.020)  (  1.683,  -1.247,  -1.020)  ( 0.00,  0.00,  0.01)
163:     electro (  1.008,  -0.726,  -0.295)  (  1.008,  -0.726,  -0.295)  ( 0.00,  0.00,  0.00)
163: 32       (-52.345, -67.440, -40.041)  (-52.327, -67.403, -40.025)  ( 0.03,  0.06,  0.04)
163:     bond    (-50.873, -72.955, -43.899)  (-50.855, -72.919, -43.886)  ( 0.03,  0.05,  0.03)
163:     angle   ( -1.963,   5.893,  -7.524)  ( -1.963,   5.895,  -7.521)  ( 0.00,  0.03,  0.04)
163:     torsion ( -4.234,   1.481,   2.446)  ( -4.234,   1.481,   2.446)  ( 0.01,  0.00,  0.00)
163:     vdw     (  4.991,  -2.441,   9.032)  (  4.992,  -2.441,   9.032)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.266,   0.581,  -0.096)  ( -0.266,   0.581,  -0.096)  ( 0.00,  0.00,  0.00)
163: 33       ( 60.735, -72.826, 144.796)  ( 60.747, -72.793, 144.826)  ( 0.02,  0.05,  0.02)
164:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
164:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
164:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
164:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
164:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
164:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
164:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
164:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
164:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
164:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
164:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
164:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
164:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
164:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
164:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
164:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
164:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
164:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
164:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
164:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
164:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
164:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
164:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
164:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
164:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
164:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
164:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
164:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
164:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
164:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
164:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
164:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
164:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
164:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
164:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
164:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
164:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
164:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
164:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
164:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
164:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
164:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
164:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
164:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
164:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
164:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
164:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
164:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
164:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
164:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
164:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
164:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
164:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
164:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
164:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
164:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
164:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
164:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
164:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
164:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
164:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
164:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
164:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
164: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
164:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
164:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
164:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
164:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
164:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
164: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
164:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
164:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
164:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
164:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
164:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
164:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
164: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
166:     angle   ( -0.014,   0.005,  -0.081)  ( -0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( 20.000,  12.412, -17.160)  ( 20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
166:     torsion (  0.019,  -0.017,  -0.014)  (  0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.006,  -0.006,  -0.002)  (  0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.556,  14.019,  -3.165)  ( -3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 24       ( -8.357, -75.934,  23.900)  ( -8.353, -75.928,  23.905)  ( 0.04,  0.01,  0.02)
166:     bond    (-14.578, -43.264,   7.487)  (-14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
166:     angle   ( -0.013,   0.075,   0.026)  ( -0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
166:     strbnd  ( -4.671, -27.652,   7.696)  ( -4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
166:     torsion (  0.030,   0.017,   0.018)  (  0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.012,   0.004,   0.006)  (  0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 10.865,  -5.113,   8.667)  ( 10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 25       (-23.913,  -8.357, -75.934)  (-23.905,  -8.353, -75.928)  ( 0.03,  0.04,  0.01)
166:     bond    ( -7.494, -14.578, -43.264)  ( -7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
166:     angle   ( -0.029,  -0.013,   0.075)  ( -0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( -7.698,  -4.671, -27.652)  ( -7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.018,   0.030,   0.017)  ( -0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.006,   0.012,   0.004)  ( -0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -8.667,  10.865,  -5.113)  ( -8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 26       (-47.306, -52.215,  38.542)  (-47.297, -52.209,  38.549)  ( 0.02,  0.01,  0.02)
166:     bond    (-26.884, -35.755,  12.130)  (-26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
166:     angle   ( -0.081,   0.012,   0.005)  ( -0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
166:     strbnd  (-17.160, -20.001,  12.412)  (-17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
166:     torsion ( -0.014,  -0.020,  -0.017)  ( -0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.002,  -0.006,  -0.006)  ( -0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.165,   3.556,  14.019)  ( -3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 27       ( 52.205,  38.542,  47.292)  ( 52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
166:     bond    ( 35.751,  12.130,  26.876)  ( 35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
166:     angle   ( -0.014,   0.005,   0.078)  ( -0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( 20.000,  12.412,  17.157)  ( 20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
166:     torsion (  0.019,  -0.017,   0.014)  (  0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.006,  -0.006,   0.002)  (  0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.556,  14.019,   3.164)  ( -3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 28       (-70.710, -37.613,  -0.007)  (-70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
166:     bond    (-34.133, -31.161,  -0.003)  (-34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
166:     angle   ( -0.024,  -0.051,  -0.002)  ( -0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
166:     strbnd  (-24.743, -15.277,  -0.001)  (-24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.006,  -0.022,  -0.000)  (  0.006,  -0.021,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.005,  -0.010,  -0.000)  (  0.005,  -0.011,  -0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (-11.821,   8.908,  -0.000)  (-11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 29       ( 23.900,  -8.357, -75.934)  ( 23.905,  -8.353, -75.928)  ( 0.02,  0.04,  0.01)
166:     bond    (  7.487, -14.578, -43.264)  (  7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
166:     angle   (  0.026,  -0.013,   0.075)  (  0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
166:     strbnd  (  7.696,  -4.671, -27.652)  (  7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.018,   0.030,   0.017)  (  0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.006,   0.012,   0.004)  (  0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     (  8.667,  10.865,  -5.113)  (  8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 30       ( 70.694,  37.607,  -0.007)  ( 70.701,  37.611,   0.000)  ( 0.01,  0.01,  0.00)
166:     bond    ( 34.123,  31.159,  -0.003)  ( 34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
166:     angle   (  0.021,   0.050,  -0.002)  (  0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( 24.741,  15.275,  -0.001)  ( 24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.007,   0.020,  -0.000)  ( -0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.005,   0.010,  -0.000)  ( -0.005,   0.011,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 11.821,  -8.908,  -0.000)  ( 11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 31       ( 37.607,  -0.007, -70.710)  ( 37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
166:     bond    ( 31.159,  -0.003, -34.133)  ( 31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
166:     angle   (  0.050,  -0.002,  -0.024)  (  0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( 15.275,  -0.001, -24.743)  ( 15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.020,  -0.000,   0.006)  (  0.021,  -0.000,   0.006)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.010,  -0.000,   0.005)  (  0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -8.908,  -0.000, -11.821)  ( -8.908,   0.000, -11.821)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 32       ( -8.357,  75.919,  23.900)  ( -8.353,  75.928,  23.905)  ( 0.04,  0.01,  0.02)
166:     bond    (-14.578,  43.256,   7.487)  (-14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
166:     angle   ( -0.013,  -0.077,   0.026)  ( -0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
166:     strbnd  ( -4.671,  27.650,   7.696)  ( -4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
166:     torsion (  0.030,  -0.018,   0.018)  (  0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.012,  -0.004,   0.006)  (  0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 10.865,   5.113,   8.667)  ( 10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 33       (-23.913,  -8.357,  75.919)  (-23.905,  -8.353,  75.928)  ( 0.03,  0.04,  0.01)
166:     bond    ( -7.494, -14.578,  43.256)  ( -7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
166:     angle   ( -0.029,  -0.013,  -0.077)  ( -0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( -7.698,  -4.671,  27.650)  ( -7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.018,   0.030,  -0.018)  ( -0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.006,   0.012,  -0.004)  ( -0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -8.667,  10.865,   5.113)  ( -8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 34       ( 70.694, -37.613,  -0.007)  ( 70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
166:     bond    ( 34.123, -31.161,  -0.003)  ( 34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
166:     angle   (  0.021,  -0.051,  -0.002)  (  0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( 24.741, -15.277,  -0.001)  ( 24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
164:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
164:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
164:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
164:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
164:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
164:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
164: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
164:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
164:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
164:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
164:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
164: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
164:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
164:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
164:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
164:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
164: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
164:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
164:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
164:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
164:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
164:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
164:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
164: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
164:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
164:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
164:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
164:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
164:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
164: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
164:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
164:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
164:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
164:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
164:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
164: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
164:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
164:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
164:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
164:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
164:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
164:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
164: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
164:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
164:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
164:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
164:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
164:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
164:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
164: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
164:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
164:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
164:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
164:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
164:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
164:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
164:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
164: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
164:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
164:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
164:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
164:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
164:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
164:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
164: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
164:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
164:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
164:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
164:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
164:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
164: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
164:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ydu_79w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ydv_nec.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ydw_wsh.sdf
164:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
164:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
164:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
164: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
164:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
164:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
164:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
164:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
164:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
164:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
164:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
164:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
164:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
164:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
164:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
164:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
164:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
164:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
164:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
164:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
164:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
164:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
164:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
164:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
164:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
164:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
164:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
164:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
164:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
164:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
164:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
164:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
164:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
164:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
164:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
164:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
164:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ye9_2d4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yek_eam.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yfe_yfe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yfj_1it.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yfl_dc4.sdf
163:     bond    (101.827, -37.869, 196.831)  (101.834, -37.846, 196.857)  ( 0.01,  0.06,  0.01)
163:     angle   (-36.650, -45.180, -53.604)  (-36.647, -45.170, -53.601)  ( 0.01,  0.02,  0.00)
163:     torsion ( -7.700,   2.459,   5.024)  ( -7.698,   2.459,   5.024)  ( 0.02,  0.01,  0.01)
163:     vdw     (  3.258,   7.764,  -3.454)  (  3.258,   7.764,  -3.454)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 34       ( 10.585,   0.388,  17.616)  ( 10.635,   0.436,  17.664)  ( 0.47,  1.87,  0.28)
163:     bond    ( -0.500, -12.373,   9.898)  ( -0.463, -12.338,   9.934)  ( 1.85,  0.29,  0.36)
163:     angle   (  9.648,  15.499,  18.299)  (  9.659,  15.512,  18.311)  ( 0.12,  0.08,  0.07)
163:     torsion (  4.643,  -2.560,  -5.629)  (  4.644,  -2.560,  -5.628)  ( 0.02,  0.00,  0.01)
163:     vdw     ( -3.206,  -0.178,  -4.952)  ( -3.206,  -0.178,  -4.952)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 35       (-15.954,  -1.580, -30.115)  (-15.945,  -1.577, -30.093)  ( 0.06,  0.20,  0.07)
163:     bond    (-16.793,  -0.896, -30.319)  (-16.787,  -0.897, -30.298)  ( 0.04,  0.01,  0.07)
163:     angle   (  1.413,  -0.380,  -0.775)  (  1.417,  -0.376,  -0.774)  ( 0.22,  0.12,  0.08)
163:     torsion ( -0.703,   0.187,   0.384)  ( -0.703,   0.187,   0.384)  ( 0.01,  0.00,  0.00)
163:     vdw     (  0.129,  -0.491,   0.595)  (  0.129,  -0.491,   0.595)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 36       (  3.892,  26.603,  30.203)  (  3.901,  26.617,  30.215)  ( 0.24,  0.05,  0.04)
163:     bond    (-14.715,  20.399,  18.854)  (-14.709,  20.410,  18.864)  ( 0.04,  0.06,  0.05)
163:     angle   ( 19.840,   2.318,  12.960)  ( 19.843,   2.320,  12.962)  ( 0.02,  0.08,  0.02)
163:     torsion (  1.928,   0.401,   1.070)  (  1.929,   0.401,   1.070)  ( 0.01,  0.00,  0.01)
163:     vdw     ( -3.162,   3.486,  -2.682)  ( -3.162,   3.486,  -2.682)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 37       ( 35.452,  17.308,  10.249)  ( 35.477,  17.313,  10.254)  ( 0.07,  0.03,  0.05)
163:     bond    ( 32.455,   9.782,  -5.786)  ( 32.479,   9.784,  -5.785)  ( 0.08,  0.02,  0.01)
163:     angle   (  2.700,   4.121,  22.134)  (  2.701,   4.125,  22.137)  ( 0.01,  0.08,  0.02)
163:     torsion (  0.010,   0.083,   0.194)  (  0.010,   0.083,   0.194)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.287,   3.322,  -6.292)  (  0.287,   3.322,  -6.292)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 26 # gradients 
163: ok 27 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (230.770,  15.548,  47.534)  (230.842,  15.637,  47.545)  ( 0.03,  0.58,  0.02)
163:     bond    (121.169,  86.026,  47.443)  (121.228,  86.103,  47.449)  ( 0.05,  0.09,  0.01)
163:     angle   (114.073, -75.278,  10.957)  (114.085, -75.265,  10.959)  ( 0.01,  0.02,  0.02)
163:     torsion (  2.315,   2.076, -10.103)  (  2.315,   2.076, -10.100)  ( 0.00,  0.01,  0.02)
163:     vdw     ( -6.787,   2.723,  -0.763)  ( -6.787,   2.723,  -0.763)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       ( 31.074, -55.193,  28.644)  ( 31.177, -55.120,  28.657)  ( 0.33,  0.13,  0.05)
163:     bond    (105.357, -149.034,  -5.246)  (105.440, -148.979,  -5.239)  ( 0.08,  0.04,  0.14)
163:     angle   (-80.367, 107.149,  -3.347)  (-80.347, 107.165,  -3.343)  ( 0.02,  0.02,  0.11)
163:     torsion (  9.368,  -1.776,  23.908)  (  9.368,  -1.776,  23.910)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -3.283, -11.531,  13.329)  ( -3.283, -11.531,  13.329)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       (-236.753, -106.456, -95.205)  (-236.677, -106.370, -95.193)  ( 0.03,  0.08,  0.01)
163:     bond    (-177.229, -86.227, -64.766)  (-177.165, -86.154, -64.759)  ( 0.04,  0.08,  0.01)
163:     angle   (-70.025, -29.241, -13.562)  (-70.013, -29.228, -13.560)  ( 0.02,  0.04,  0.02)
163:     torsion (  4.874,   3.954, -19.458)  (  4.874,   3.954, -19.456)  ( 0.00,  0.00,  0.01)
163:     vdw     (  5.628,   5.057,   2.581)  (  5.628,   5.057,   2.581)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       (-126.999, -160.981, -84.433)  (-126.935, -160.889, -84.419)  ( 0.05,  0.06,  0.02)
163:     bond    (-234.447,  24.970, -55.738)  (-234.396,  25.050, -55.729)  ( 0.02,  0.32,  0.02)
163:     angle   ( 99.611, -183.568, -21.468)  ( 99.624, -183.556, -21.465)  ( 0.01,  0.01,  0.01)
163:     torsion (  1.884,   1.751,  -6.942)  (  1.884,   1.751,  -6.941)  ( 0.01,  0.01,  0.03)
163:     vdw     (  5.953,  -4.134,  -0.285)  (  5.953,  -4.134,  -0.285)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (-22.500, 327.225,  82.973)  (-22.421, 327.266,  82.984)  ( 0.35,  0.01,  0.01)
163:     bond    ( 38.244, 121.228,  41.806)  ( 38.319, 121.256,  41.813)  ( 0.20,  0.02,  0.02)
163:     angle   (-54.031, 208.040,  36.291)  (-54.027, 208.053,  36.292)  ( 0.01,  0.01,  0.00)
163:     torsion ( -1.949,  -1.946,   7.573)  ( -1.949,  -1.946,   7.574)  ( 0.00,  0.01,  0.02)
163:     vdw     ( -4.764,  -0.097,  -2.696)  ( -4.764,  -0.097,  -2.696)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       ( 32.880, -339.346, -69.860)  ( 32.955, -339.260, -69.851)  ( 0.23,  0.03,  0.01)
163:     bond    ( 86.762, -175.637, -21.392)  ( 86.824, -175.563, -21.387)  ( 0.07,  0.04,  0.02)
163:     angle   (-51.939, -157.049, -49.092)  (-51.926, -157.038, -49.090)  ( 0.03,  0.01,  0.00)
163:     torsion ( -0.579,  -0.614,   2.947)  ( -0.579,  -0.614,   2.949)  ( 0.01,  0.01,  0.08)
163:     vdw     ( -0.865,  -6.374,  -2.432)  ( -0.865,  -6.374,  -2.432)  ( 0.02,  0.00,  0.00)
163:     electro ( -0.499,   0.329,   0.109)  ( -0.499,   0.329,   0.109)  ( 0.00,  0.00,  0.00)
163:  7       (133.858,  88.163,  -4.538)  (133.901,  88.209,  -4.499)  ( 0.03,  0.05,  0.86)
163:     bond    (120.107, -51.316, -45.582)  (120.140, -51.282, -45.553)  ( 0.03,  0.07,  0.06)
163:     angle   ( 14.796, 145.842,  41.461)  ( 14.806, 145.853,  41.471)  ( 0.07,  0.01,  0.02)
163:     torsion ( -0.612,  -0.558,   2.434)  ( -0.612,  -0.558,   2.435)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -0.433,  -5.805,  -2.852)  ( -0.433,  -5.804,  -2.852)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       ( -8.961,  88.814,  12.903)  ( -8.949,  88.851,  12.924)  ( 0.13,  0.04,  0.16)
163:     bond    (-20.203, 101.675,  18.600)  (-20.201, 101.710,  18.616)  ( 0.01,  0.04,  0.09)
163:     angle   ( 38.037, -13.083,   7.156)  ( 38.047, -13.081,   7.160)  ( 0.03,  0.01,  0.06)
163:     torsion (-21.767,  -2.156,  -9.606)  (-21.768,  -2.156,  -9.606)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -5.028,   2.378,  -3.247)  ( -5.027,   2.378,  -3.247)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  9       ( -1.781,  27.438,   6.210)  ( -1.735,  27.485,   6.259)  ( 2.59,  0.17,  0.79)
163:     bond    ( -2.842, -29.193,  13.720)  ( -2.805, -29.158,  13.757)  ( 1.28,  0.12,  0.27)
163:     angle   ( -6.775,  56.706,  -9.037)  ( -6.765,  56.718,  -9.025)  ( 0.15,  0.02,  0.13)
163:     torsion (  8.642,  -0.633,   2.133)  (  8.642,  -0.634,   2.133)  ( 0.01,  0.02,  0.01)
163:     vdw     ( -0.806,   0.558,  -0.606)  ( -0.806,   0.558,  -0.606)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 10       (121.026,  97.357,  77.519)  (121.076,  97.405,  77.566)  ( 0.04,  0.05,  0.06)
163:     bond    ( 55.916,  58.881,  22.131)  ( 55.952,  58.916,  22.168)  ( 0.06,  0.06,  0.17)
163:     angle   ( 65.497,  37.697,  49.927)  ( 65.510,  37.710,  49.937)  ( 0.02,  0.04,  0.02)
163:     torsion ( -1.399,  -1.243,   5.820)  ( -1.399,  -1.243,   5.820)  ( 0.00,  0.00,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yg2_s1p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yid_td7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yig_5el.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yiq_yiq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yir_yir.sdf
164:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
164:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
164:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
164:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
164:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
164: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
164:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
164:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
164:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
164:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
164: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
164:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
164:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
164:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
164: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
164:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
164:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
164:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
164: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
164:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
164:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
164:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
164:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
164:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
164: ok 28 # gradients 
164: ok 29 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
166:     torsion ( -0.007,  -0.022,  -0.000)  ( -0.006,  -0.021,  -0.000)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.005,  -0.010,  -0.000)  ( -0.005,  -0.011,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 11.821,   8.908,  -0.000)  ( 11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 35       (-52.215,  38.542, -47.306)  (-52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
166:     bond    (-35.755,  12.130, -26.884)  (-35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
166:     angle   (  0.012,   0.005,  -0.081)  (  0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
166:     strbnd  (-20.001,  12.412, -17.160)  (-20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
166:     torsion ( -0.020,  -0.017,  -0.014)  ( -0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.006,  -0.006,  -0.002)  ( -0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.556,  14.019,  -3.165)  (  3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 36       (-52.215,  38.542,  47.292)  (-52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
166:     bond    (-35.755,  12.130,  26.876)  (-35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
166:     angle   (  0.012,   0.005,   0.078)  (  0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
166:     strbnd  (-20.001,  12.412,  17.157)  (-20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
166:     torsion ( -0.020,  -0.017,   0.014)  ( -0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.006,  -0.006,   0.002)  ( -0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.556,  14.019,   3.164)  (  3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 37       (-37.613,  -0.007,  70.694)  (-37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
166:     bond    (-31.161,  -0.003,  34.123)  (-31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
166:     angle   ( -0.051,  -0.002,   0.021)  ( -0.051,  -0.000,   0.022)  ( 0.00,  0.00,  0.00)
166:     strbnd  (-15.277,  -0.001,  24.741)  (-15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.022,  -0.000,  -0.007)  ( -0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.010,  -0.000,  -0.005)  ( -0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (  8.908,  -0.000,  11.821)  (  8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 38       (-52.215, -38.554, -47.306)  (-52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
166:     bond    (-35.755, -12.136, -26.884)  (-35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
166:     angle   (  0.012,  -0.007,  -0.081)  (  0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
166:     strbnd  (-20.001, -12.414, -17.160)  (-20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
166:     torsion ( -0.020,   0.017,  -0.014)  ( -0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.006,   0.005,  -0.002)  ( -0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.556, -14.019,  -3.165)  (  3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 39       (-52.215, -38.554,  47.292)  (-52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
166:     bond    (-35.755, -12.136,  26.876)  (-35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
166:     angle   (  0.012,  -0.007,   0.078)  (  0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
166:     strbnd  (-20.001, -12.414,  17.157)  (-20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
166:     torsion ( -0.020,   0.017,   0.014)  ( -0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.006,   0.005,   0.002)  ( -0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.556, -14.019,   3.164)  (  3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 40       ( 23.900,  -8.357,  75.919)  ( 23.905,  -8.353,  75.928)  ( 0.02,  0.04,  0.01)
166:     bond    (  7.487, -14.578,  43.256)  (  7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
166:     angle   (  0.026,  -0.013,  -0.077)  (  0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
166:     strbnd  (  7.696,  -4.671,  27.650)  (  7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.018,   0.030,  -0.018)  (  0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.006,   0.012,  -0.004)  (  0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     (  8.667,  10.865,   5.113)  (  8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 41       (-54.913, -35.524, -24.139)  (-54.905, -35.518, -24.134)  ( 0.02,  0.02,  0.02)
166:     bond    (-26.884, -35.755, -12.136)  (-26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
166:     angle   (  8.310,   2.328,   1.428)  (  8.312,   2.330,   1.429)  ( 0.02,  0.05,  0.09)
166:     strbnd  (-33.157,  -3.794,  -2.400)  (-33.157,  -3.793,  -2.399)  ( 0.00,  0.02,  0.04)
166:     torsion ( -0.015,  -1.854,   2.983)  ( -0.015,  -1.853,   2.983)  ( 0.00,  0.03,  0.01)
166:     oop     ( -0.002,  -0.006,   0.005)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.165,   3.556, -14.019)  ( -3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 42       (  3.504,  53.443,  17.121)  (  3.509,  53.448,  17.126)  ( 0.15,  0.01,  0.02)
166:     bond    (-12.452,  26.530,  26.356)  (-12.448,  26.533,  26.357)  ( 0.04,  0.01,  0.01)
166:     angle   ( -9.977,  -5.385,  -2.072)  ( -9.975,  -5.383,  -2.071)  ( 0.02,  0.04,  0.05)
166:     strbnd  ( 29.601,  21.773,  10.437)  ( 29.601,  21.772,  10.438)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.442,   1.853,  -6.723)  (  1.442,   1.853,  -6.722)  ( 0.02,  0.02,  0.01)
166:     oop     (  0.004,   0.006,  -0.012)  (  0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.113,   8.667, -10.865)  ( -5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 43       ( 47.292, -52.215, -38.554)  ( 47.297, -52.209, -38.549)  ( 0.01,  0.01,  0.01)
166:     bond    ( 26.876, -35.755, -12.136)  ( 26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
166:     angle   (  0.078,   0.012,  -0.007)  (  0.079,   0.013,  -0.006)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( 17.157, -20.001, -12.414)  ( 17.159, -20.000, -12.413)  ( 0.01,  0.00,  0.01)
166:     torsion (  0.014,  -0.020,   0.017)  (  0.014,  -0.019,   0.017)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.002,  -0.006,   0.005)  (  0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.164,   3.556, -14.019)  (  3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 44       (  8.348,  75.919, -23.913)  (  8.353,  75.928, -23.905)  ( 0.06,  0.01,  0.03)
166:     bond    ( 14.575,  43.256,  -7.494)  ( 14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
166:     angle   (  0.011,  -0.077,  -0.029)  (  0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
166:     strbnd  (  4.670,  27.650,  -7.698)  (  4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
166:     torsion ( -0.031,  -0.018,  -0.018)  ( -0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.012,  -0.004,  -0.006)  ( -0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (-10.865,   5.113,  -8.667)  (-10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 45       ( -8.357,  75.919, -23.913)  ( -8.353,  75.928, -23.905)  ( 0.04,  0.01,  0.03)
166:     bond    (-14.578,  43.256,  -7.494)  (-14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
166:     angle   ( -0.013,  -0.077,  -0.029)  ( -0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
166:     strbnd  ( -4.671,  27.650,  -7.698)  ( -4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
166:     torsion (  0.030,  -0.018,  -0.018)  (  0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yit_yit.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yix_yix.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yiy_yiy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yjd_yjd.sdf
164:  1       (-37.071, -81.376,  -8.715)  (-37.065, -81.370,  -8.711)  ( 0.01,  0.01,  0.06)
164:     bond    ( -6.927,  -6.224,   0.204)  ( -6.923,  -6.219,   0.208)  ( 0.06,  0.08,  0.07)
164:     angle   (-43.402, -92.594,  -5.039)  (-43.401, -92.592,  -5.037)  ( 0.00,  0.00,  0.03)
164:     strbnd  ( 17.017,  19.808,  -1.013)  ( 17.017,  19.807,  -1.014)  ( 0.00,  0.00,  0.03)
164:     torsion ( -0.140,   0.089,  -0.286)  ( -0.140,   0.089,  -0.286)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.619,  -2.454,  -2.581)  ( -3.619,  -2.454,  -2.581)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  2       (-39.440,   2.545,  50.699)  (-39.434,   2.550,  50.705)  ( 0.01,  0.18,  0.01)
164:     bond    (  2.221,   0.743,  -4.295)  (  2.225,   0.746,  -4.291)  ( 0.19,  0.23,  0.10)
164:     angle   (-30.186,   6.101,  43.460)  (-30.184,   6.103,  43.462)  ( 0.01,  0.03,  0.00)
164:     strbnd  ( -8.549,  -6.318,  14.014)  ( -8.550,  -6.318,  14.014)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.634,  -0.131,  -0.999)  ( -0.634,  -0.131,  -0.999)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.292,   2.150,  -1.482)  ( -2.292,   2.150,  -1.482)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  3       ( -1.587,  40.280, -47.662)  ( -1.722,  39.405, -48.005)  ( 8.54,  2.17,  0.72)
164:     bond    ( -0.509,   0.513,  -6.367)  ( -0.504,   0.517,  -6.364)  ( 0.25,  0.20,  0.05)
164:     angle   ( 13.510,  14.854, -42.989)  ( 13.512,  14.856, -42.987)  ( 0.01,  0.01,  0.00)
164:     strbnd  (-14.490,   2.857,  -6.469)  (-14.491,   2.857,  -6.469)  ( 0.01,  0.01,  0.01)
164:     torsion (  0.820,  13.476,   6.086)  (  0.820,  13.476,   6.086)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.965,   7.596,   5.726)  ( -1.106,   6.716,   5.379)  (13.62, 11.59,  6.06)
164:     vdw     (  0.470,   0.645,  -3.276)  (  0.471,   0.645,  -3.276)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.424,   0.339,  -0.373)  ( -0.424,   0.339,  -0.373)  ( 0.00,  0.00,  0.00)
164:  4       ( -3.751,  47.995,  62.741)  ( -3.746,  48.001,  62.747)  ( 0.14,  0.01,  0.01)
164:     bond    ( -1.086,   2.486,   9.511)  ( -1.082,   2.490,   9.516)  ( 0.33,  0.17,  0.05)
164:     angle   ( -4.863,  51.765,  70.840)  ( -4.861,  51.767,  70.842)  ( 0.04,  0.00,  0.00)
164:     strbnd  (  4.026, -10.734, -19.678)  (  4.025, -10.735, -19.679)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.144,   0.700,  -0.367)  (  0.144,   0.700,  -0.367)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.972,   3.779,   2.435)  ( -1.972,   3.779,   2.435)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  5       (-38.271, -131.602, -55.190)  (-37.474, -129.364, -53.224)  ( 2.08,  1.70,  3.56)
164:     bond    (  8.677, -20.361, -12.122)  (  8.681, -20.358, -12.120)  ( 0.05,  0.02,  0.02)
164:     angle   (-36.816, -71.485,  11.280)  (-36.815, -71.484,  11.281)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( 12.873,  -5.181,   7.752)  ( 12.873,  -5.181,   7.752)  ( 0.00,  0.00,  0.01)
164:     torsion (-12.225, -29.725, -36.119)  (-12.225, -29.725, -36.119)  ( 0.00,  0.00,  0.00)
164:     oop     ( -5.173, -18.341, -24.805)  ( -4.382, -16.108, -22.842)  (15.29, 12.17,  7.91)
164:     vdw     ( -5.982,  13.988,  -1.401)  ( -5.982,  13.988,  -1.401)  ( 0.00,  0.00,  0.00)
164:     electro (  0.375,  -0.497,   0.224)  (  0.375,  -0.497,   0.224)  ( 0.00,  0.00,  0.00)
164:  6       ( 59.513,  60.458,  25.145)  ( 58.727,  59.176,  24.316)  ( 1.32,  2.12,  3.30)
164:     bond    ( -6.489, -13.464,  18.197)  ( -6.484, -13.459,  18.199)  ( 0.07,  0.03,  0.01)
164:     angle   ( 37.474,  50.266, -17.881)  ( 37.475,  50.267, -17.880)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( -3.586,  -8.839,   8.084)  ( -3.586,  -8.840,   8.084)  ( 0.01,  0.00,  0.00)
164:     torsion ( 14.651,  15.387,  15.614)  ( 14.652,  15.387,  15.614)  ( 0.00,  0.00,  0.00)
164:     oop     (  6.902,   8.223,   9.114)  (  6.110,   6.936,   8.282)  (11.47, 15.66,  9.13)
164:     vdw     ( 10.851,   9.567,  -8.214)  ( 10.851,   9.567,  -8.214)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.290,  -0.682,   0.230)  ( -0.290,  -0.682,   0.230)  ( 0.00,  0.00,  0.00)
164:  7       (-98.956, -30.139,   2.983)  (-97.624, -30.391,   3.584)  ( 1.35,  0.84, 20.16)
164:     bond    (-36.725,  -4.863,   0.794)  (-36.719,  -4.859,   0.795)  ( 0.01,  0.08,  0.10)
164:     angle   (-40.863, -11.120,  -0.055)  (-40.862, -11.119,  -0.054)  ( 0.00,  0.01,  0.00)
164:     strbnd  (-15.761, -19.921,  -0.231)  (-15.761, -19.921,  -0.231)  ( 0.00,  0.00,  0.00)
164:     torsion (-16.151,  -0.989,   6.996)  (-16.151,  -0.989,   6.996)  ( 0.00,  0.00,  0.01)
164:     oop     ( -6.016,   1.821,   0.042)  ( -4.691,   1.564,   0.642)  (22.03, 14.13,  2.51)
164:     vdw     ( 17.210,   4.832,  -4.353)  ( 17.210,   4.832,  -4.353)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.650,   0.102,  -0.210)  ( -0.650,   0.102,  -0.210)  ( 0.00,  0.00,  0.00)
164:  8       ( 42.185, -29.144,  98.083)  ( 40.890, -28.721,  95.733)  ( 3.07,  1.45,  2.40)
164:     bond    (  0.216,  13.908,  14.316)  (  0.219,  13.913,  14.318)  ( 0.06,  0.04,  0.01)
164:     angle   ( 11.911, -57.274,  71.476)  ( 11.912, -57.273,  71.477)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( 12.084,  27.937,   5.019)  ( 12.083,  27.936,   5.019)  ( 0.00,  0.00,  0.00)
164:     torsion (  3.830,   0.035,  -3.860)  (  3.830,   0.035,  -3.861)  ( 0.00,  0.00,  0.00)
164:     oop     (  8.502,  -2.885,  10.470)  (  7.204,  -2.469,   8.117)  (15.27, 14.44, 22.47)
164:     vdw     (  7.198, -12.680,   2.190)  (  7.198, -12.679,   2.190)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.556,   1.815,  -1.528)  ( -1.556,   1.815,  -1.528)  ( 0.00,  0.00,  0.00)
164:  9       ( 32.579,  54.117, -119.425)  ( 31.952,  53.028, -118.703)  ( 1.92,  2.01,  0.60)
164:     bond    ( 10.817,   9.746, -28.895)  ( 10.820,   9.748, -28.889)  ( 0.03,  0.02,  0.02)
164:     angle   ( 35.048,  51.699, -72.855)  ( 35.049,  51.701, -72.854)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  0.568,  -4.532,  -8.148)  (  0.567,  -4.532,  -8.148)  ( 0.01,  0.00,  0.00)
164:     torsion ( -4.728,  -6.617, -17.279)  ( -4.728,  -6.618, -17.279)  ( 0.00,  0.01,  0.00)
164:     oop     (  1.204,   5.714,  -4.530)  (  0.573,   4.622,  -3.815)  (52.37, 19.12, 15.77)
164:     vdw     (-10.056,  -2.512,  13.221)  (-10.056,  -2.512,  13.222)  ( 0.00,  0.01,  0.00)
164:     electro ( -0.274,   0.620,  -0.940)  ( -0.274,   0.620,  -0.940)  ( 0.00,  0.00,  0.00)
164: 10       ( -2.422, -19.944, 132.061)  ( -2.392, -20.229, 130.455)  ( 1.24,  1.43,  1.22)
164:     bond    ( 18.269,   6.335,   0.967)  ( 18.273,   6.339,   0.970)  ( 0.02,  0.07,  0.23)
164:     angle   (-27.608, -36.500,  84.948)  (-27.607, -36.499,  84.949)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( 12.909,   2.314,  -3.833)  ( 12.909,   2.313,  -3.833)  ( 0.00,  0.02,  0.00)
164:     torsion (  5.991,   6.815,  25.602)  (  5.992,   6.815,  25.602)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.582,   4.956,  14.815)  (  0.605,   4.666,  13.205)  ( 1.37,  5.85, 10.86)
164:     vdw     (-13.143,  -3.558,   9.953)  (-13.143,  -3.558,   9.953)  ( 0.00,  0.00,  0.00)
164:     electro (  0.579,  -0.306,  -0.390)  (  0.579,  -0.306,  -0.390)  ( 0.00,  0.00,  0.00)
164: 11       ( 47.658, -22.934, -63.453)  ( 37.369, -23.638, -54.855)  (21.59,  3.07, 13.55)
164:     bond    (-11.073,   2.546,  -4.952)  (-11.069,   2.550,  -4.949)  ( 0.04,  0.18,  0.08)
164:     angle   ( 14.987, -10.150, -58.721)  ( 14.989, -10.148, -58.720)  ( 0.01,  0.02,  0.00)
164:     strbnd  ( 17.268, -10.877,  11.808)  ( 17.267, -10.878,  11.807)  ( 0.00,  0.01,  0.01)
164:     torsion (  6.129,   3.198,  15.790)  (  6.129,   3.198,  15.790)  ( 0.00,  0.00,  0.00)
164:     oop     ( 18.909,  -6.132, -23.821)  (  8.614,  -6.841, -15.228)  (54.44, 11.57, 36.07)
164:     vdw     (  1.389,  -2.494,  -1.281)  (  1.389,  -2.494,  -1.281)  ( 0.00,  0.00,  0.00)
164:     electro (  0.050,   0.975,  -2.276)  (  0.050,   0.975,  -2.276)  ( 0.00,  0.00,  0.00)
164: 12       ( 31.693, -14.126, -65.659)  ( 31.699, -14.121, -65.654)  ( 0.02,  0.04,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ykb_ykb.sdf
163:     vdw     (  1.013,   2.022,  -0.358)  (  1.013,   2.022,  -0.358)  ( 0.01,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       (-178.441,  56.536, -12.123)  (-178.391,  56.584, -12.076)  ( 0.03,  0.09,  0.39)
163:     bond    (-113.413,  39.694, -12.800)  (-113.376,  39.729, -12.764)  ( 0.03,  0.09,  0.28)
163:     angle   (-63.583,  15.799,   0.304)  (-63.571,  15.813,   0.315)  ( 0.02,  0.08,  0.31)
163:     torsion ( -0.164,  -0.169,   0.725)  ( -0.164,  -0.169,   0.726)  ( 0.00,  0.00,  0.03)
163:     vdw     ( -1.281,   1.211,  -0.352)  ( -1.281,   1.211,  -0.352)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (-309.585, 168.570, -61.479)  (-309.474, 168.656, -61.471)  ( 0.04,  0.05,  0.01)
163:     bond    (-261.125, 204.404, -58.888)  (-261.025, 204.475, -58.884)  ( 0.04,  0.03,  0.01)
163:     angle   (-44.453, -44.369,  -0.417)  (-44.442, -44.354,  -0.417)  ( 0.03,  0.03,  0.01)
163:     torsion (  0.061,  -0.086,  -0.605)  (  0.061,  -0.086,  -0.601)  ( 0.00,  0.00,  0.25)
163:     vdw     ( -4.068,   8.620,  -1.569)  ( -4.068,   8.620,  -1.569)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 13       ( 43.845, -102.204,  20.477)  ( 43.934, -102.124,  20.483)  ( 0.20,  0.08,  0.03)
163:     bond    (117.722, -98.093,  27.700)  (117.798, -98.025,  27.703)  ( 0.06,  0.07,  0.01)
163:     angle   (-74.835,  -7.801,  -6.628)  (-74.822,  -7.789,  -6.628)  ( 0.02,  0.15,  0.00)
163:     torsion (  0.024,  -0.039,  -0.234)  (  0.024,  -0.039,  -0.230)  ( 0.00,  0.00,  0.08)
163:     vdw     (  2.133,   2.565,  -0.133)  (  2.133,   2.565,  -0.133)  ( 0.00,  0.00,  0.00)
163:     electro ( -1.199,   1.164,  -0.229)  ( -1.199,   1.164,  -0.229)  ( 0.00,  0.00,  0.00)
163: 14       (-36.109, -48.858,   3.417)  (-36.039, -48.759,   3.424)  ( 0.20,  0.20,  0.21)
163:     bond    (-115.278, -76.367,  -0.800)  (-115.221, -76.279,  -0.797)  ( 0.05,  0.11,  0.30)
163:     angle   ( 71.512,  27.575,   3.506)  ( 71.525,  27.586,   3.506)  ( 0.02,  0.04,  0.01)
163:     torsion (  0.015,  -0.022,  -0.148)  (  0.015,  -0.022,  -0.145)  ( 0.00,  0.00,  0.05)
163:     vdw     (  8.156,  -0.533,   0.952)  (  8.157,  -0.533,   0.952)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.515,   0.489,  -0.092)  ( -0.515,   0.489,  -0.092)  ( 0.00,  0.00,  0.00)
163: 15       ( 33.113,  48.660,  -4.041)  ( 33.209,  48.734,  -4.035)  ( 0.29,  0.15,  0.17)
163:     bond    ( 31.105, 131.273, -16.544)  ( 31.189, 131.334, -16.541)  ( 0.27,  0.05,  0.02)
163:     angle   ( -1.857, -74.929,  11.143)  ( -1.845, -74.917,  11.143)  ( 0.64,  0.02,  0.00)
163:     torsion (  0.027,  -0.039,  -0.263)  (  0.027,  -0.039,  -0.260)  ( 0.00,  0.00,  0.08)
163:     vdw     (  3.027,  -7.745,   1.526)  (  3.027,  -7.745,   1.526)  ( 0.00,  0.00,  0.00)
163:     electro (  0.811,   0.101,   0.097)  (  0.811,   0.101,   0.097)  ( 0.00,  0.00,  0.00)
163: 16       (121.317,  -1.933,  14.143)  (121.404,  -1.852,  14.149)  ( 0.07,  4.20,  0.04)
163:     bond    (133.239, -68.848,  24.454)  (133.314, -68.779,  24.457)  ( 0.06,  0.10,  0.01)
163:     angle   (-10.468,  68.924, -10.394)  (-10.456,  68.937, -10.394)  ( 0.12,  0.02,  0.00)
163:     torsion (  0.005,  -0.025,  -0.143)  (  0.005,  -0.024,  -0.140)  ( 0.00,  0.00,  0.05)
163:     vdw     ( -2.434,  -2.403,   0.153)  ( -2.434,  -2.403,   0.153)  ( 0.00,  0.00,  0.00)
163:     electro (  0.975,   0.417,   0.073)  (  0.975,   0.417,   0.073)  ( 0.00,  0.00,  0.00)
163: 17       (-325.590, 298.031, -75.555)  (-325.500, 298.136, -75.547)  ( 0.03,  0.04,  0.01)
163:     bond    (-371.855, 211.563, -66.837)  (-371.779, 211.658, -66.833)  ( 0.02,  0.04,  0.01)
163:     angle   ( 55.346,  85.009,  -7.558)  ( 55.360,  85.020,  -7.558)  ( 0.03,  0.01,  0.00)
163:     torsion (  0.036,  -0.026,  -0.174)  (  0.037,  -0.026,  -0.170)  ( 0.00,  0.00,  0.06)
163:     vdw     ( -9.118,   1.484,  -0.986)  ( -9.118,   1.484,  -0.986)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 18       (164.570, -216.301,  59.167)  (164.657, -216.222,  59.174)  ( 0.05,  0.04,  0.01)
163:     bond    (138.178, -139.130,  38.931)  (138.251, -139.065,  38.934)  ( 0.05,  0.05,  0.01)
163:     angle   ( 25.727, -77.475,  12.790)  ( 25.740, -77.460,  12.791)  ( 0.05,  0.02,  0.00)
163:     torsion ( -0.695,   0.990,   6.900)  ( -0.695,   0.990,   6.903)  ( 0.00,  0.01,  0.04)
163:     vdw     (  2.153,  -5.046,   0.612)  (  2.153,  -5.046,   0.612)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.792,   4.359,  -0.065)  ( -0.792,   4.359,  -0.065)  ( 0.00,  0.00,  0.00)
163: 19       (-965.766, 2663.086, -575.860)  (-965.690, 2663.170, -575.850)  ( 0.01,  0.00,  0.00)
163:     bond    (-1418.917, 2382.703, -443.048)  (-1418.856, 2382.777, -443.040)  ( 0.00,  0.00,  0.00)
163:     angle   (447.095, 281.029, -129.732)  (447.109, 281.038, -129.733)  ( 0.00,  0.00,  0.00)
163:     torsion (  0.024,   0.039,   0.308)  (  0.024,   0.039,   0.309)  ( 0.00,  0.00,  0.05)
163:     vdw     (  6.033,  -0.685,  -3.387)  (  6.033,  -0.685,  -3.387)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 20       (114.232, -437.606,  83.440)  (114.289, -437.539,  83.444)  ( 0.05,  0.02,  0.00)
163:     bond    (358.499, -354.381,  86.813)  (358.545, -354.320,  86.816)  ( 0.01,  0.02,  0.00)
163:     angle   (-245.243, -83.323,  -1.702)  (-245.232, -83.318,  -1.702)  ( 0.00,  0.01,  0.01)
163:     torsion (  0.110,  -0.237,  -1.547)  (  0.110,  -0.237,  -1.546)  ( 0.00,  0.00,  0.07)
163:     vdw     (  0.866,   0.335,  -0.124)  (  0.866,   0.335,  -0.124)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 21       (1412.002, -2219.798, 590.177)  (1412.038, -2219.762, 590.203)  ( 0.00,  0.00,  0.00)
163:     bond    (1625.070, -1930.637, 478.096)  (1625.097, -1930.605, 478.116)  ( 0.00,  0.00,  0.00)
163:     angle   (-197.172, -290.361, 113.648)  (-197.163, -290.357, 113.653)  ( 0.00,  0.00,  0.00)
163:     torsion (  0.078,  -0.157,  -1.123)  (  0.078,  -0.157,  -1.123)  ( 0.00,  0.00,  0.02)
163:     vdw     (-21.130,   1.015,  -0.657)  (-21.129,   1.015,  -0.657)  ( 0.00,  0.00,  0.00)
163:     electro (  5.156,   0.342,   0.213)  (  5.156,   0.342,   0.213)  ( 0.00,  0.00,  0.00)
163: 22       (-366.659, -78.515, -15.951)  (-366.643, -78.496, -15.948)  ( 0.00,  0.02,  0.02)
163:     bond    (-171.955, -219.996, -39.220)  (-171.945, -219.980, -39.219)  ( 0.01,  0.01,  0.00)
163:     angle   (-23.182,  13.743,  24.534)  (-23.181,  13.744,  24.536)  ( 0.01,  0.01,  0.01)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (-160.520, 122.573,  -1.512)  (-160.516, 122.575,  -1.512)  ( 0.00,  0.00,  0.03)
163:     electro (-11.002,   5.165,   0.246)  (-11.002,   5.165,   0.246)  ( 0.00,  0.00,  0.00)
163: 23       (-22.584,  54.833,   6.425)  (-22.566,  54.848,   6.428)  ( 0.08,  0.03,  0.05)
163:     bond    ( 15.086,  13.833,   6.673)  ( 15.101,  13.845,   6.676)  ( 0.09,  0.09,  0.04)
163:     angle   (-45.622,  49.256,   1.036)  (-45.620,  49.258,   1.036)  ( 0.01,  0.01,  0.01)
163:     torsion (  0.047,   0.044,  -0.198)  (  0.047,   0.044,  -0.198)  ( 0.00,  0.00,  0.01)
163:     vdw     (  7.493,  -8.141,  -1.046)  (  7.493,  -8.141,  -1.046)  ( 0.00,  0.00,  0.00)
163:     electro (  0.412,  -0.158,  -0.040)  (  0.412,  -0.158,  -0.040)  ( 0.00,  0.00,  0.00)
163: 24       (-16.608, -19.937, -12.909)  (-16.604, -19.911, -12.905)  ( 0.02,  0.13,  0.03)
163:     bond    ( -3.330, -18.505,   2.198)  ( -3.329, -18.479,   2.198)  ( 0.02,  0.14,  0.01)
163:     angle   (-13.113,  -0.092, -20.627)  (-13.110,  -0.092, -20.624)  ( 0.02,  0.00,  0.02)
163:     torsion (  0.001,  -0.003,  -0.022)  (  0.001,  -0.003,  -0.022)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.167,  -1.338,   5.543)  ( -0.167,  -1.338,   5.543)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 25       ( 11.683,   5.989,  18.013)  ( 11.692,   5.996,  18.033)  ( 0.07,  0.12,  0.11)
163:     bond    ( 19.057,  11.460,  31.582)  ( 19.064,  11.462,  31.601)  ( 0.03,  0.02,  0.06)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ykc_ykc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yke_yke.sdf
164:     bond    (  4.025,  -3.189,  -9.311)  (  4.029,  -3.185,  -9.307)  ( 0.10,  0.12,  0.05)
164:     angle   ( 35.137, -10.001, -64.710)  ( 35.139, -10.000, -64.708)  ( 0.01,  0.02,  0.00)
164:     strbnd  ( -5.006,   4.101,  11.332)  ( -5.006,   4.101,  11.331)  ( 0.01,  0.01,  0.01)
164:     torsion ( -2.865,  -1.801,  -0.962)  ( -2.865,  -1.801,  -0.962)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.401,  -3.237,  -2.009)  (  0.401,  -3.237,  -2.009)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 13       (-44.560, -77.865, 136.018)  (-23.829, -75.824, 121.163)  (46.52,  2.62, 10.92)
164:     bond    ( -2.460,   4.359,  -8.933)  ( -2.456,   4.363,  -8.924)  ( 0.18,  0.08,  0.10)
164:     angle   ( 29.524, -109.944, 134.355)  ( 29.525, -109.943, 134.355)  ( 0.00,  0.00,  0.00)
164:     strbnd  (-14.951,  10.444, -24.236)  (-14.952,  10.444, -24.237)  ( 0.01,  0.01,  0.01)
164:     torsion (  1.176,  -3.022,  -8.395)  (  1.176,  -3.022,  -8.396)  ( 0.06,  0.00,  0.01)
164:     oop     (-59.918,  23.973,  41.115)  (-39.191,  26.010,  26.252)  (34.59,  8.49, 36.15)
164:     vdw     (  2.638,  -3.488,   3.777)  (  2.638,  -3.488,   3.777)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.568,  -0.188,  -1.665)  ( -0.568,  -0.188,  -1.665)  ( 0.00,  0.00,  0.00)
164: 14       (-73.793,  -5.351, -43.764)  (-74.002,  -4.993, -43.416)  ( 0.28,  6.69,  0.79)
164:     bond    (  2.608,   8.877,  -3.192)  (  2.609,   8.883,  -3.190)  ( 0.05,  0.08,  0.06)
164:     angle   (-96.717,  12.033, -55.420)  (-96.718,  12.033, -55.421)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( -4.852, -11.840,   5.276)  ( -4.852, -11.840,   5.276)  ( 0.00,  0.00,  0.00)
164:     torsion ( 10.732,   0.866,  11.025)  ( 10.727,   0.866,  11.022)  ( 0.04,  0.00,  0.03)
164:     oop     ( 12.415, -11.706,  -6.666)  ( 12.210, -11.356,  -6.316)  ( 1.65,  3.00,  5.26)
164:     vdw     (  1.533,  -1.793,   3.152)  (  1.533,  -1.793,   3.152)  ( 0.00,  0.00,  0.00)
164:     electro (  0.489,  -1.787,   2.061)  (  0.489,  -1.787,   2.061)  ( 0.00,  0.00,  0.00)
164: 15       ( 69.217, 103.058, -57.300)  ( 59.276, 101.483, -50.491)  (14.36,  1.53, 11.88)
164:     bond    (  2.268,   0.918,   3.526)  (  2.270,   0.919,   3.532)  ( 0.12,  0.04,  0.18)
164:     angle   ( 44.112, 114.284, -58.082)  ( 44.112, 114.285, -58.082)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  4.938,   2.167,   7.080)  (  4.938,   2.167,   7.080)  ( 0.01,  0.01,  0.00)
164:     torsion ( -3.970,   1.783,   2.088)  ( -3.970,   1.783,   2.088)  ( 0.00,  0.00,  0.00)
164:     oop     ( 25.969,  -6.898, -14.899)  ( 16.024,  -8.474,  -8.097)  (38.29, 22.85, 45.66)
164:     vdw     (  0.595,  -0.501,   0.672)  (  0.595,  -0.501,   0.672)  ( 0.00,  0.00,  0.00)
164:     electro ( -4.694,  -8.696,   2.316)  ( -4.694,  -8.696,   2.316)  ( 0.00,  0.00,  0.00)
164: 16       ( 10.862,  32.599,  -5.193)  ( 10.865,  32.600,  -5.193)  ( 0.03,  0.00,  0.01)
164:     bond    ( 12.564,  -2.116,  -0.282)  ( 12.567,  -2.116,  -0.282)  ( 0.02,  0.01,  0.00)
164:     angle   (  5.837,  35.355,  -5.146)  (  5.837,  35.356,  -5.145)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( -6.059,   0.924,   0.108)  ( -6.059,   0.924,   0.108)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.025,   0.048,   0.772)  (  0.025,   0.048,   0.772)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.506,  -1.612,  -0.646)  ( -1.506,  -1.612,  -0.646)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 17       ( 23.103,  21.401, -13.776)  ( 23.104,  21.402, -13.774)  ( 0.00,  0.01,  0.01)
164:     bond    (  0.013,   7.722,   8.189)  (  0.013,   7.723,   8.191)  ( 0.00,  0.02,  0.02)
164:     angle   ( 23.319,  18.754, -17.721)  ( 23.319,  18.754, -17.721)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( -0.112,  -4.214,  -4.433)  ( -0.112,  -4.214,  -4.433)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.254,  -0.191,   0.179)  (  0.254,  -0.191,   0.179)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.370,  -0.670,   0.010)  ( -0.370,  -0.670,   0.010)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 18       ( 33.905,  23.432,  15.855)  ( 33.905,  23.433,  15.857)  ( 0.00,  0.01,  0.01)
164:     bond    (  0.412,   8.070,  -8.784)  (  0.412,   8.072,  -8.782)  ( 0.00,  0.02,  0.02)
164:     angle   ( 35.086,  20.894,  20.850)  ( 35.086,  20.894,  20.850)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( -0.271,  -3.980,   4.289)  ( -0.271,  -3.980,   4.289)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.050,  -0.044,  -0.038)  (  0.050,  -0.044,  -0.038)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.372,  -1.509,  -0.461)  ( -1.372,  -1.509,  -0.461)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 19       (  7.842,  13.549,  15.910)  (  7.843,  13.550,  15.912)  ( 0.01,  0.01,  0.01)
164:     bond    (  4.298,  -5.557,  10.878)  (  4.298,  -5.556,  10.880)  ( 0.01,  0.01,  0.02)
164:     angle   (  5.140,  17.037,   6.669)  (  5.140,  17.038,   6.669)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( -0.222,   0.518,  -1.052)  ( -0.222,   0.518,  -1.052)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.333,  -0.021,  -0.143)  (  0.333,  -0.021,  -0.143)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.708,   1.572,  -0.443)  ( -1.707,   1.572,  -0.443)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 20       ( 24.224,   9.746,   3.735)  ( 24.225,   9.747,   3.737)  ( 0.00,  0.01,  0.06)
164:     bond    (  0.205,   8.145,  12.537)  (  0.205,   8.145,  12.539)  ( 0.00,  0.01,  0.02)
164:     angle   ( 25.409,   2.588,  -2.097)  ( 25.410,   2.588,  -2.096)  ( 0.00,  0.01,  0.01)
164:     strbnd  ( -0.027,  -1.112,  -1.794)  ( -0.027,  -1.112,  -1.794)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.559,  -0.957,   0.631)  ( -0.559,  -0.957,   0.631)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.804,   1.083,  -5.542)  ( -0.804,   1.083,  -5.542)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 21       (-14.013,  -5.680, -13.049)  (-14.012,  -5.678, -13.048)  ( 0.01,  0.05,  0.00)
164:     bond    ( -4.768, -11.721,   2.019)  ( -4.767, -11.719,   2.019)  ( 0.01,  0.02,  0.01)
164:     angle   ( -9.742,   1.595, -13.739)  ( -9.741,   1.596, -13.738)  ( 0.01,  0.01,  0.00)
164:     strbnd  (  0.618,   1.701,  -0.398)  (  0.618,   1.701,  -0.398)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.143,   0.073,   0.763)  (  0.143,   0.073,   0.763)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.264,   2.671,  -1.694)  ( -0.263,   2.671,  -1.694)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 22       (-11.466, -17.731, -34.136)  (-11.464, -17.730, -34.135)  ( 0.02,  0.00,  0.00)
164:     bond    ( 10.515,  -3.031,  -3.787)  ( 10.517,  -3.031,  -3.787)  ( 0.02,  0.01,  0.01)
164:     angle   (-17.099, -17.314, -33.631)  (-17.099, -17.314, -33.630)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( -4.687,   1.352,   1.833)  ( -4.687,   1.352,   1.833)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.036,  -0.401,   0.221)  ( -0.036,  -0.401,   0.221)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.159,   1.663,   1.228)  ( -0.159,   1.663,   1.228)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 23       (  9.654, -14.702, -18.379)  (  9.655, -14.701, -18.377)  ( 0.01,  0.01,  0.01)
164:     bond    ( -3.691,   5.903, -11.062)  ( -3.691,   5.904, -11.060)  ( 0.01,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yki_yki.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ykj_ykj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ykm_ykn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ylo_ylo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ylp_056.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ylq_ylq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yly_su4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ym4_4ym.sdf
164:     angle   ( 12.954, -19.869, -14.929)  ( 12.955, -19.869, -14.929)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  1.489,  -2.332,   4.677)  (  1.489,  -2.332,   4.677)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.247,  -0.126,   0.015)  ( -0.247,  -0.126,   0.015)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.851,   1.721,   2.920)  ( -0.851,   1.721,   2.920)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 24       ( 14.540,  -7.004, -26.289)  ( 14.541,  -7.001, -26.288)  ( 0.01,  0.04,  0.00)
164:     bond    ( -4.182,  -9.280,  -1.526)  ( -4.182,  -9.277,  -1.526)  ( 0.01,  0.03,  0.01)
164:     angle   ( 17.244,  -3.364, -26.810)  ( 17.244,  -3.364, -26.810)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  2.112,   4.668,   0.929)  (  2.112,   4.668,   0.929)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.199,  -0.107,   0.107)  (  0.199,  -0.107,   0.107)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.832,   1.079,   1.011)  ( -0.832,   1.079,   1.011)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 25       ( -2.146,  11.421,  -4.557)  ( -2.080,  11.484,  -4.381)  ( 3.09,  0.55,  3.87)
164:     bond    ( -0.517,  -0.905,   0.501)  ( -0.517,  -0.903,   0.502)  ( 0.04,  0.21,  0.04)
164:     angle   ( -5.394,   1.536,  -2.786)  ( -5.394,   1.537,  -2.786)  ( 0.01,  0.01,  0.00)
164:     strbnd  (  4.247,   7.387,  -3.525)  (  4.247,   7.387,  -3.525)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.245,   2.897,   3.928)  ( -1.245,   2.897,   3.928)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.602,  -0.657,  -1.800)  ( -0.537,  -0.596,  -1.625)  ( 3.91,  3.97,  9.75)
164:     vdw     (  1.342,   0.777,  -0.631)  (  1.342,   0.777,  -0.631)  ( 0.00,  0.00,  0.00)
164:     electro (  0.023,   0.386,  -0.243)  (  0.023,   0.386,  -0.243)  ( 0.00,  0.00,  0.00)
164: 26       (  8.264,  -9.314, -14.985)  (  7.913,  -9.070, -14.378)  ( 4.25,  2.62,  4.05)
164:     bond    (  0.510,   0.130,   0.247)  (  0.513,   0.130,   0.248)  ( 0.15,  0.00,  0.02)
164:     angle   ( -0.687,  -4.473,   3.772)  ( -0.687,  -4.472,   3.772)  ( 0.00,  0.01,  0.00)
164:     strbnd  ( -3.764,  -0.803,  -0.766)  ( -3.764,  -0.803,  -0.766)  ( 0.00,  0.00,  0.01)
164:     torsion (  8.777,  -3.424, -16.387)  (  8.777,  -3.424, -16.387)  ( 0.00,  0.00,  0.00)
164:     oop     (  1.606,  -0.922,  -2.844)  (  1.252,  -0.679,  -2.237)  (22.07, 22.40, 21.34)
164:     vdw     (  1.106,  -0.058,   0.139)  (  1.106,  -0.058,   0.139)  ( 0.00,  0.00,  0.00)
164:     electro (  0.715,   0.236,   0.855)  (  0.715,   0.236,   0.855)  ( 0.00,  0.00,  0.00)
164: 27       ( -9.529,  -0.985,   0.936)  ( -8.994,  -0.277,   0.839)  ( 5.61, 69.82,  9.15)
164:     bond    ( -0.257,   0.039,  -1.081)  ( -0.257,   0.039,  -1.078)  ( 0.01,  0.00,  0.33)
164:     angle   ( -2.751,   5.638,   0.859)  ( -2.751,   5.638,   0.859)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( -0.092,   0.684,  -4.568)  ( -0.092,   0.685,  -4.568)  ( 0.00,  0.00,  0.00)
164:     torsion ( -4.710,  -4.641,   0.953)  ( -4.710,  -4.641,   0.953)  ( 0.00,  0.00,  0.00)
164:     oop     ( -2.117,  -3.288,   0.385)  ( -1.584,  -2.580,   0.284)  (25.20, 21.55,  3.90)
164:     vdw     ( -0.554,   0.339,   2.803)  ( -0.554,   0.339,   2.803)  ( 0.00,  0.00,  0.00)
164:     electro (  0.953,   0.243,   1.585)  (  0.953,   0.243,   1.585)  ( 0.00,  0.00,  0.00)
164: 28       (-35.688,  35.118, -12.756)  (-35.489,  35.165, -12.454)  ( 0.56,  0.13,  2.37)
164:     bond    ( -0.608,  -0.110,   0.410)  ( -0.606,  -0.110,   0.411)  ( 0.16,  0.00,  0.05)
164:     angle   (-20.084,  33.989, -20.477)  (-20.083,  33.989, -20.477)  ( 0.00,  0.00,  0.00)
164:     strbnd  (-11.144,  -1.712,   8.116)  (-11.144,  -1.712,   8.116)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.403,   5.730,  -0.531)  ( -1.403,   5.730,  -0.531)  ( 0.00,  0.00,  0.00)
164:     oop     ( -1.298,  -1.456,  -2.303)  ( -1.102,  -1.410,  -2.002)  (15.09,  3.14, 13.07)
164:     vdw     ( -0.679,  -1.424,   2.000)  ( -0.679,  -1.424,   2.000)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.472,   0.102,   0.028)  ( -0.472,   0.102,   0.028)  ( 0.00,  0.00,  0.00)
164: 29       (  6.269,   4.842,  17.665)  (  6.271,   4.844,  17.666)  ( 0.04,  0.03,  0.00)
164:     bond    ( 13.347,   7.815,   1.928)  ( 13.349,   7.816,   1.928)  ( 0.02,  0.01,  0.01)
164:     angle   ( -3.942,   1.678,  20.486)  ( -3.942,   1.679,  20.487)  ( 0.01,  0.03,  0.00)
164:     strbnd  ( -1.485,  -0.391,  -0.372)  ( -1.485,  -0.391,  -0.372)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.296,   0.484,   0.090)  ( -0.296,   0.484,   0.090)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.355,  -4.745,  -4.467)  ( -1.355,  -4.744,  -4.467)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 30       ( -8.350,   0.131,  25.967)  ( -8.349,   0.134,  25.968)  ( 0.01,  0.04,  0.00)
164:     bond    ( -1.481,  11.557,   2.165)  ( -1.481,  11.560,   2.165)  ( 0.01,  0.03,  0.01)
164:     angle   ( -9.788,  -6.150,  26.139)  ( -9.788,  -6.150,  26.139)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  0.626,  -4.365,  -1.021)  (  0.626,  -4.365,  -1.021)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.782,   0.049,   0.957)  (  1.782,   0.049,   0.957)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.511,  -0.961,  -2.273)  (  0.511,  -0.961,  -2.273)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 31       (-14.899,  11.820,  16.748)  (-14.898,  11.820,  16.750)  ( 0.01,  0.01,  0.01)
164:     bond    (  5.176,  -2.757,  10.225)  (  5.177,  -2.757,  10.227)  ( 0.01,  0.01,  0.02)
164:     angle   (-19.241,  13.946,  13.498)  (-19.241,  13.947,  13.498)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( -2.072,   1.072,  -4.471)  ( -2.072,   1.072,  -4.471)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.541,   0.941,  -0.020)  (  0.541,   0.941,  -0.020)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.698,  -1.382,  -2.484)  (  0.698,  -1.382,  -2.484)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 32       ( -4.993,  10.176,  24.023)  ( -4.991,  10.177,  24.024)  ( 0.05,  0.01,  0.00)
164:     bond    (-10.690,  -3.803,   2.337)  (-10.687,  -3.803,   2.338)  ( 0.02,  0.01,  0.01)
164:     angle   (  0.606,  13.614,  24.917)  (  0.606,  13.614,  24.917)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  3.553,   1.168,  -0.972)  (  3.553,   1.168,  -0.972)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.030,   0.061,  -0.037)  ( -0.030,   0.061,  -0.037)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.567,  -0.863,  -2.222)  (  1.567,  -0.863,  -2.222)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 33       ( 19.334, -14.895, -24.368)  ( 19.332, -14.890, -24.369)  ( 0.01,  0.03,  0.00)
164:     bond    ( -4.753, -12.511,   5.560)  ( -4.753, -12.507,   5.561)  ( 0.01,  0.03,  0.01)
164:     angle   ( 21.861, -17.415, -20.481)  ( 21.860, -17.414, -20.482)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  2.809,   8.054,  -3.331)  (  2.809,   8.054,  -3.331)  ( 0.00,  0.00,  0.00)
164:     torsion ( -6.332,  -0.435,  -6.389)  ( -6.334,  -0.435,  -6.390)  ( 0.02,  0.00,  0.02)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.007,   0.074,  -0.052)  (  0.007,   0.074,  -0.052)  ( 0.00,  0.00,  0.00)
164:     electro (  5.743,   7.338,   0.326)  (  5.743,   7.338,   0.326)  ( 0.00,  0.00,  0.00)
164: ok 30 # gradients 
164: ok 31 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
166:     oop     (  0.012,  -0.004,  -0.006)  (  0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 10.865,   5.113,  -8.667)  ( 10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 46       (  8.348, -75.934, -23.913)  (  8.353, -75.928, -23.905)  ( 0.06,  0.01,  0.03)
166:     bond    ( 14.575, -43.264,  -7.494)  ( 14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
166:     angle   (  0.011,   0.075,  -0.029)  (  0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
166:     strbnd  (  4.670, -27.652,  -7.698)  (  4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
166:     torsion ( -0.031,   0.017,  -0.018)  ( -0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.012,   0.004,  -0.006)  ( -0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (-10.865,  -5.113,  -8.667)  (-10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 47       (-38.554, -47.306,  52.205)  (-38.549, -47.297,  52.209)  ( 0.01,  0.02,  0.01)
166:     bond    (-12.136, -26.884,  35.751)  (-12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
166:     angle   ( -0.007,  -0.081,  -0.014)  ( -0.006,  -0.079,  -0.013)  ( 0.00,  0.01,  0.00)
166:     strbnd  (-12.414, -17.160,  20.000)  (-12.413, -17.159,  20.000)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.017,  -0.014,   0.019)  (  0.017,  -0.014,   0.019)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.005,  -0.002,   0.006)  (  0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (-14.019,  -3.165,  -3.556)  (-14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 48       (-37.613,  -0.007, -70.710)  (-37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
166:     bond    (-31.161,  -0.003, -34.133)  (-31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
166:     angle   ( -0.051,  -0.002,  -0.024)  ( -0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
166:     strbnd  (-15.277,  -0.001, -24.743)  (-15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.022,  -0.000,   0.006)  ( -0.021,   0.000,   0.006)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.010,  -0.000,   0.005)  ( -0.011,   0.000,   0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (  8.908,  -0.000, -11.821)  (  8.908,  -0.000, -11.821)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 49       ( 23.900,   8.348,  75.919)  ( 23.905,   8.353,  75.928)  ( 0.02,  0.06,  0.01)
166:     bond    (  7.487,  14.575,  43.256)  (  7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
166:     angle   (  0.026,   0.011,  -0.077)  (  0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
166:     strbnd  (  7.696,   4.670,  27.650)  (  7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.018,  -0.031,  -0.018)  (  0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.006,  -0.012,  -0.004)  (  0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     (  8.667, -10.865,   5.113)  (  8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 50       (-54.913,  35.514, -24.139)  (-54.905,  35.518, -24.134)  ( 0.02,  0.01,  0.02)
166:     bond    (-26.884,  35.751, -12.136)  (-26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
166:     angle   (  8.310,  -2.331,   1.428)  (  8.312,  -2.330,   1.429)  ( 0.02,  0.05,  0.09)
166:     strbnd  (-33.157,   3.792,  -2.400)  (-33.157,   3.793,  -2.399)  ( 0.00,  0.02,  0.04)
166:     torsion ( -0.015,   1.852,   2.983)  ( -0.015,   1.853,   2.983)  ( 0.00,  0.03,  0.01)
166:     oop     ( -0.002,   0.006,   0.005)  ( -0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.165,  -3.556, -14.019)  ( -3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 51       ( -8.357, -75.934, -23.913)  ( -8.353, -75.928, -23.905)  ( 0.04,  0.01,  0.03)
166:     bond    (-14.578, -43.264,  -7.494)  (-14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
166:     angle   ( -0.013,   0.075,  -0.029)  ( -0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
166:     strbnd  ( -4.671, -27.652,  -7.698)  ( -4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
166:     torsion (  0.030,   0.017,  -0.018)  (  0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.012,   0.004,  -0.006)  (  0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 10.865,  -5.113,  -8.667)  ( 10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 52       ( 37.554, -49.775,  56.098)  ( 37.561, -49.767,  56.102)  ( 0.02,  0.02,  0.01)
166:     bond    ( 12.130, -26.884,  35.751)  ( 12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
166:     angle   (  1.671,   3.010,   0.624)  (  1.672,   3.012,   0.625)  ( 0.08,  0.05,  0.07)
166:     strbnd  ( 11.182, -22.719,  19.528)  ( 11.183, -22.718,  19.529)  ( 0.01,  0.00,  0.00)
166:     torsion ( -1.441,  -0.016,   3.746)  ( -1.441,  -0.015,   3.746)  ( 0.03,  0.00,  0.02)
166:     oop     ( -0.006,  -0.002,   0.006)  ( -0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 14.019,  -3.165,  -3.556)  ( 14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 53       ( 57.517,  33.960,  18.680)  ( 57.526,  33.965,  18.684)  ( 0.02,  0.02,  0.02)
166:     bond    ( 43.256,   7.487,  14.575)  ( 43.260,   7.491,  14.577)  ( 0.01,  0.04,  0.01)
166:     angle   ( -5.272,  -6.052,  -3.749)  ( -5.270,  -6.051,  -3.748)  ( 0.03,  0.03,  0.03)
166:     strbnd  ( 14.441,  25.672,  15.790)  ( 14.443,  25.673,  15.791)  ( 0.01,  0.00,  0.00)
166:     torsion ( -0.018,  -1.820,   2.940)  ( -0.018,  -1.820,   2.940)  ( 0.00,  0.02,  0.02)
166:     oop     ( -0.004,   0.006,  -0.012)  ( -0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     (  5.113,   8.667, -10.865)  (  5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 54       (-52.445,  20.194,   0.196)  (-52.439,  20.201,   0.199)  ( 0.01,  0.03,  0.06)
166:     bond    (-30.817,  15.080,  19.379)  (-30.813,  15.086,  19.380)  ( 0.01,  0.03,  0.00)
166:     angle   (  5.186,   6.102,   3.821)  (  5.188,   6.103,   3.822)  ( 0.04,  0.03,  0.02)
166:     strbnd  (-26.815, -14.634, -11.154)  (-26.815, -14.635, -11.154)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.000,   1.831,  -2.952)  (  0.001,   1.831,  -2.951)  ( 0.00,  0.01,  0.02)
166:     oop     ( -0.000,  -0.005,   0.010)  (  0.000,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.000,  11.821,  -8.908)  (  0.000,  11.821,  -8.908)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 55       ( 37.554,  49.762,  56.098)  ( 37.561,  49.767,  56.102)  ( 0.02,  0.01,  0.01)
166:     bond    ( 12.130,  26.876,  35.751)  ( 12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
166:     angle   (  1.671,  -3.013,   0.624)  (  1.672,  -3.012,   0.625)  ( 0.08,  0.05,  0.07)
166:     strbnd  ( 11.182,  22.717,  19.528)  ( 11.183,  22.718,  19.529)  ( 0.01,  0.00,  0.00)
166:     torsion ( -1.441,   0.015,   3.746)  ( -1.441,   0.015,   3.746)  ( 0.03,  0.00,  0.02)
166:     oop     ( -0.006,   0.002,   0.006)  ( -0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 14.019,   3.164,  -3.556)  ( 14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 56       (-38.554,  47.292,  52.205)  (-38.549,  47.297,  52.209)  ( 0.01,  0.01,  0.01)
166:     bond    (-12.136,  26.876,  35.751)  (-12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
166:     angle   ( -0.007,   0.078,  -0.014)  ( -0.006,   0.079,  -0.013)  ( 0.00,  0.01,  0.00)
166:     strbnd  (-12.414,  17.157,  20.000)  (-12.413,  17.159,  20.000)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.017,   0.014,   0.019)  (  0.017,   0.014,   0.019)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.005,   0.002,   0.006)  (  0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (-14.019,   3.164,  -3.556)  (-14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
163:     angle   (-13.425,  45.799,  -8.517)  (-13.423,  45.803,  -8.516)  ( 0.02,  0.01,  0.01)
163:     torsion ( -0.014,  -0.022,   0.017)  ( -0.014,  -0.022,   0.017)  ( 0.00,  0.00,  0.00)
163:     vdw     (  6.066, -51.248,  -5.069)  (  6.066, -51.246,  -5.069)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 26       (  0.724, -29.231,  -9.886)  (  0.729, -29.220,  -9.867)  ( 0.37,  0.04,  0.20)
163:     bond    (  4.372,  -9.327, -14.621)  (  4.374,  -9.320, -14.603)  ( 0.04,  0.08,  0.13)
163:     angle   ( -0.345, -31.995,  20.315)  ( -0.342, -31.992,  20.316)  ( 0.13,  0.01,  0.00)
163:     torsion ( -6.009,   0.002,  -1.801)  ( -6.009,   0.002,  -1.801)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.706,  12.090, -13.779)  (  2.706,  12.090, -13.778)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 27       (-25.773,  20.839,  -2.648)  (-25.754,  20.850,  -2.643)  ( 0.07,  0.06,  0.18)
163:     bond    (-26.324,  19.256,  -7.192)  (-26.307,  19.266,  -7.191)  ( 0.07,  0.05,  0.02)
163:     angle   ( -1.773,  -2.324,   0.259)  ( -1.772,  -2.322,   0.263)  ( 0.07,  0.11,  0.09)
163:     torsion (  2.286,   4.628,   4.034)  (  2.286,   4.628,   4.034)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.038,  -0.721,   0.252)  (  0.038,  -0.721,   0.252)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 28       ( 31.717,  10.764,   4.950)  ( 31.735,  10.776,   4.955)  ( 0.06,  0.11,  0.10)
163:     bond    ( 24.691,  19.128,   8.139)  ( 24.707,  19.138,   8.140)  ( 0.07,  0.05,  0.02)
163:     angle   (  4.802,  -5.862,  -0.807)  (  4.803,  -5.860,  -0.803)  ( 0.04,  0.04,  0.26)
163:     torsion (  3.079,  -3.340,  -1.493)  (  3.079,  -3.340,  -1.494)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.855,   0.838,  -0.889)  ( -0.855,   0.838,  -0.889)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 29       ( 17.273,  -9.621,   3.628)  ( 17.287,  -9.611,   3.639)  ( 0.08,  0.11,  0.30)
163:     bond    ( 27.772, -19.828,  22.921)  ( 27.785, -19.821,  22.930)  ( 0.05,  0.03,  0.04)
163:     angle   ( -7.655, -43.113, -27.996)  ( -7.653, -43.111, -27.993)  ( 0.03,  0.01,  0.01)
163:     torsion ( -0.003,   0.001,   0.005)  ( -0.003,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.841,  53.319,   8.698)  ( -2.841,  53.320,   8.698)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 30       (  8.872,   4.980, -31.183)  (  8.880,   4.987, -31.164)  ( 0.10,  0.15,  0.06)
163:     bond    ( 14.300,  12.483, -24.570)  ( 14.306,  12.488, -24.553)  ( 0.04,  0.04,  0.07)
163:     angle   ( -5.491,  -6.853,  -6.683)  ( -5.488,  -6.850,  -6.681)  ( 0.05,  0.05,  0.02)
163:     torsion ( -0.006,   0.007,   0.000)  ( -0.006,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.068,  -0.657,   0.070)  (  0.068,  -0.657,   0.070)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 31       (-38.803,  21.558,  -3.759)  (-38.796,  21.575,  -3.747)  ( 0.02,  0.08,  0.31)
163:     bond    ( -9.767,  20.602,  16.092)  ( -9.764,  20.617,  16.101)  ( 0.03,  0.07,  0.06)
163:     angle   (-39.187,   1.263, -25.384)  (-39.183,   1.265, -25.382)  ( 0.01,  0.14,  0.01)
163:     torsion (  0.002,  -0.008,   0.011)  (  0.002,  -0.008,   0.011)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 10.149,  -0.299,   5.522)  ( 10.150,  -0.299,   5.522)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 32       ( -1.413, -33.007,  -7.791)  ( -1.399, -32.990,  -7.786)  ( 0.98,  0.05,  0.06)
163:     bond    (-17.356, -19.718,  -3.615)  (-17.344, -19.703,  -3.614)  ( 0.07,  0.08,  0.01)
163:     angle   ( 25.951, -21.946,  -4.917)  ( 25.953, -21.945,  -4.913)  ( 0.01,  0.01,  0.08)
163:     torsion (  0.013,   0.004,  -0.083)  (  0.013,   0.004,  -0.083)  ( 0.00,  0.00,  0.00)
163:     vdw     (-10.021,   8.654,   0.824)  (-10.021,   8.654,   0.824)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 33       ( 14.342,  25.091,  24.049)  ( 14.347,  25.101,  24.069)  ( 0.04,  0.04,  0.08)
163:     bond    ( -8.159,  14.049,  22.197)  ( -8.157,  14.056,  22.215)  ( 0.03,  0.05,  0.08)
163:     angle   ( 25.372,  11.763,   1.871)  ( 25.375,  11.766,   1.872)  ( 0.01,  0.03,  0.07)
163:     torsion ( -0.032,  -0.072,   0.034)  ( -0.032,  -0.072,   0.034)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.839,  -0.649,  -0.052)  ( -2.839,  -0.649,  -0.052)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 34       ( 14.982,  24.879, -21.566)  ( 14.985,  24.891, -21.547)  ( 0.02,  0.05,  0.09)
163:     bond    ( -1.186,  18.722, -25.133)  ( -1.186,  18.732, -25.115)  ( 0.01,  0.05,  0.07)
163:     angle   ( 16.567,   6.266,   3.891)  ( 16.570,   6.268,   3.893)  ( 0.02,  0.04,  0.04)
163:     torsion (  0.018,   0.066,   0.048)  (  0.018,   0.066,   0.048)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.417,  -0.174,  -0.372)  ( -0.417,  -0.174,  -0.372)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 35       (  4.828,   0.430,   0.212)  (  4.842,   0.451,   0.213)  ( 0.29,  0.89,  0.02)
163:     bond    (  1.611,   2.181,  -0.163)  (  1.621,   2.200,  -0.162)  ( 0.63,  0.86,  0.00)
163:     angle   (  3.124,  -2.253,   0.734)  (  3.127,  -2.251,   0.734)  ( 0.12,  0.08,  0.00)
163:     torsion (  0.021,  -0.030,  -0.197)  (  0.021,  -0.030,  -0.196)  ( 0.00,  0.00,  0.02)
163:     vdw     ( -0.881,   1.566,  -0.324)  ( -0.881,   1.566,  -0.324)  ( 0.00,  0.00,  0.00)
163:     electro (  0.953,  -1.035,   0.162)  (  0.953,  -1.035,   0.162)  ( 0.00,  0.00,  0.00)
163: 36       (-38.521,   8.137,  -5.650)  (-38.493,   8.143,  -5.648)  ( 0.07,  0.08,  0.03)
163:     bond    (-41.790,   5.311,  -5.340)  (-41.762,   5.312,  -5.339)  ( 0.07,  0.01,  0.01)
163:     angle   (  0.354,   2.444,  -0.335)  (  0.354,   2.449,  -0.335)  ( 0.00,  0.22,  0.00)
163:     torsion (  0.022,  -0.032,  -0.207)  (  0.022,  -0.032,  -0.206)  ( 0.00,  0.00,  0.01)
163:     vdw     (  2.141,   0.498,   0.160)  (  2.141,   0.498,   0.160)  ( 0.00,  0.01,  0.00)
163:     electro (  0.751,  -0.084,   0.071)  (  0.751,  -0.084,   0.071)  ( 0.00,  0.00,  0.00)
163: 37       (-21.113,  33.562,  -7.402)  (-21.104,  33.587,  -7.401)  ( 0.05,  0.07,  0.03)
163:     bond    (-17.334,  38.426,  -7.733)  (-17.329,  38.450,  -7.732)  ( 0.03,  0.06,  0.01)
163:     angle   ( -3.889,  -1.784,  -0.159)  ( -3.885,  -1.783,  -0.159)  ( 0.12,  0.05,  0.00)
163:     torsion ( -0.003,   0.004,   0.027)  ( -0.003,   0.004,   0.028)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.176,  -2.175,   0.348)  (  0.176,  -2.175,   0.348)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.062,  -0.910,   0.114)  ( -0.062,  -0.910,   0.114)  ( 0.00,  0.00,  0.00)
163: 38       ( -5.431,  -0.451,   0.024)  ( -5.417,  -0.431,   0.025)  ( 0.26,  0.91,  0.00)
163:     bond    ( -1.879,  -2.467,   0.180)  ( -1.868,  -2.448,   0.180)  ( 0.57,  0.74,  0.00)
163:     angle   ( -0.324,   0.244,   0.014)  ( -0.321,   0.246,   0.014)  ( 0.11,  0.05,  0.00)
163:     torsion ( -0.045,   0.066,   0.437)  ( -0.045,   0.066,   0.437)  ( 0.00,  0.00,  0.03)
163:     vdw     ( -1.909,   0.542,  -0.273)  ( -1.909,   0.542,  -0.273)  ( 0.00,  0.00,  0.00)
163:     electro ( -1.274,   1.163,  -0.334)  ( -1.274,   1.163,  -0.334)  ( 0.00,  0.00,  0.00)
163: 39       (204.595, -232.813,  17.423)  (204.607, -232.783,  17.424)  ( 0.01,  0.01,  0.00)
163:     bond    (-25.243, -90.642,   9.182)  (-25.240, -90.615,   9.182)  ( 0.01,  0.03,  0.01)
163:     angle   ( 46.593, -12.125,   8.430)  ( 46.598, -12.125,   8.430)  ( 0.01,  0.00,  0.00)
163:     torsion (  0.323,  -0.400,  -3.056)  (  0.323,  -0.400,  -3.055)  ( 0.00,  0.00,  0.02)
163:     vdw     (176.635, -118.304,   3.193)  (176.640, -118.302,   3.193)  ( 0.00,  0.00,  0.02)
163:     electro (  6.286, -11.341,  -0.326)  (  6.286, -11.341,  -0.326)  ( 0.00,  0.00,  0.00)
163: ok 28 # gradients 
163: ok 29 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ym5_ym5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ym8_ym8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ynf_whu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ynh_eur.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yni_cxd.sdf
164:  1       ( -0.056,  -0.051,   0.261)  ( -0.002,   0.035,   0.079)  ( 0.30,  0.44,  4.74)
164:     bond    (  6.922,   0.175,   2.287)  (  6.926,   0.180,   2.292)  ( 0.06,  0.08,  0.20)
164:     angle   ( -5.931,   2.410,   0.271)  ( -5.930,   2.412,   0.272)  ( 0.03,  0.08,  0.04)
164:     strbnd  (  0.198,   0.872,   0.213)  (  0.197,   0.872,   0.213)  ( 0.01,  0.04,  0.01)
164:     torsion (  0.668,  -0.373,  -2.325)  (  0.668,  -0.373,  -2.325)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.334,  -0.538,   1.283)  ( -0.285,  -0.457,   1.096)  ( 1.63,  4.32, 14.61)
164:     vdw     ( -0.832,  -1.739,  -0.997)  ( -0.832,  -1.739,  -0.997)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.746,  -0.859,  -0.471)  ( -0.746,  -0.859,  -0.471)  ( 0.00,  0.00,  0.00)
164:  2       (  0.014,   0.361,  -0.764)  ( -0.121,   0.105,  -0.143)  ( 0.18,  9.21, 47.41)
164:     bond    ( -2.739,   1.957,  -0.129)  ( -2.733,   1.965,  -0.128)  ( 0.24,  0.42,  0.02)
164:     angle   ( 14.443,  -7.136,   1.147)  ( 14.446,  -7.134,   1.148)  ( 0.02,  0.02,  0.06)
164:     strbnd  ( -7.334,   6.670,   1.385)  ( -7.335,   6.668,   1.385)  ( 0.01,  0.03,  0.02)
164:     torsion ( -0.037,   0.168,   0.014)  ( -0.037,   0.168,   0.014)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.865,   1.488,  -3.541)  (  0.722,   1.224,  -2.922)  (12.35, 17.72, 17.47)
164:     vdw     ( -4.625,  -1.230,  -1.537)  ( -4.625,  -1.230,  -1.537)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.559,  -1.556,   1.897)  ( -0.559,  -1.556,   1.897)  ( 0.00,  0.00,  0.00)
164:  3       ( -0.029,  -0.024,   0.069)  ( -0.028,  -0.021,   0.070)  ( 0.00,  0.01,  0.00)
164:     bond    (  0.134,   0.394,  -0.032)  (  0.135,   0.397,  -0.032)  ( 0.00,  0.12,  0.00)
164:     angle   (  1.589,  -0.626,  -1.067)  (  1.590,  -0.626,  -1.067)  ( 0.03,  0.00,  0.04)
164:     strbnd  (  0.319,   0.162,   0.070)  (  0.319,   0.162,   0.070)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.341,   0.212,   1.185)  ( -0.341,   0.212,   1.185)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.730,  -0.167,  -0.086)  ( -1.730,  -0.167,  -0.086)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  4       (  0.009,  -0.000,   0.009)  (  0.010,   0.001,   0.011)  ( 0.00,  0.00,  0.00)
164:     bond    (  0.230,  -0.232,  -0.242)  (  0.231,  -0.231,  -0.241)  ( 0.03,  0.03,  0.03)
164:     angle   (  3.596,   2.214,   1.320)  (  3.596,   2.214,   1.320)  ( 0.01,  0.01,  0.02)
164:     strbnd  (  0.657,  -0.379,  -0.320)  (  0.657,  -0.379,  -0.320)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.004,   0.023,  -0.019)  (  0.004,   0.023,  -0.019)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -4.478,  -1.627,  -0.730)  ( -4.478,  -1.627,  -0.730)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  5       ( -0.022,  -0.019,   0.016)  ( -0.022,  -0.018,   0.019)  ( 0.00,  0.00,  0.01)
164:     bond    (  0.002,  -0.007,   0.018)  (  0.002,  -0.007,   0.021)  ( 0.00,  0.00,  0.01)
164:     angle   (  0.435,  -0.097,  -0.074)  (  0.436,  -0.096,  -0.074)  ( 0.02,  0.00,  0.00)
164:     strbnd  (  0.316,  -0.158,   0.593)  (  0.316,  -0.158,   0.593)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.046,   0.322,   0.110)  ( -0.046,   0.322,   0.110)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.730,  -0.080,  -0.631)  ( -0.730,  -0.080,  -0.631)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  6       ( -0.046,  -0.324,   0.524)  (  0.044,  -0.163,   0.161)  ( 0.41,  5.19, 19.00)
164:     bond    ( -2.835,   3.345,   0.762)  ( -2.831,   3.350,   0.763)  ( 0.13,  0.16,  0.02)
164:     angle   ( -1.494,  -1.139,  -0.542)  ( -1.493,  -1.138,  -0.541)  ( 0.03,  0.02,  0.01)
164:     strbnd  (  7.239,  -8.454,  -1.930)  (  7.239,  -8.454,  -1.930)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.143,   0.217,  -0.423)  (  0.143,   0.217,  -0.423)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.410,  -0.742,   1.739)  ( -0.325,  -0.588,   1.376)  ( 3.49, 11.48, 20.89)
164:     vdw     ( -4.309,  -6.669,  -2.520)  ( -4.309,  -6.669,  -2.520)  ( 0.00,  0.00,  0.00)
164:     electro (  1.620,  13.118,   3.437)  (  1.620,  13.118,   3.437)  ( 0.00,  0.00,  0.00)
164:  7       (  0.163,   0.254,  -0.307)  (  0.096,   0.140,  -0.063)  ( 1.10,  2.91,  7.49)
164:     bond    ( 17.866,  -2.904,   4.744)  ( 17.871,  -2.899,   4.745)  ( 0.03,  0.18,  0.03)
164:     angle   ( -8.512,  -0.397,  -1.184)  ( -8.510,  -0.396,  -1.183)  ( 0.02,  0.07,  0.06)
164:     strbnd  (  0.437,  -1.121,  -0.832)  (  0.437,  -1.122,  -0.833)  ( 0.02,  0.06,  0.02)
164:     torsion ( -1.343,  -1.618,   4.839)  ( -1.343,  -1.618,   4.840)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.386,   0.773,  -1.451)  (  0.312,   0.652,  -1.209)  ( 2.86,  9.34, 16.66)
164:     vdw     (  1.892,   2.121,   0.955)  (  1.893,   2.121,   0.955)  ( 0.01,  0.00,  0.00)
164:     electro (-10.563,   3.402,  -7.378)  (-10.563,   3.402,  -7.378)  ( 0.00,  0.00,  0.00)
164:  8       ( -0.072,  -0.167,   0.304)  ( -0.035,  -0.084,   0.148)  ( 0.26,  1.38,  4.74)
164:     bond    ( -1.088,   0.983,   0.272)  ( -1.086,   0.985,   0.272)  ( 0.24,  0.21,  0.00)
164:     angle   ( -1.860,  -1.398,  -2.356)  ( -1.859,  -1.398,  -2.356)  ( 0.02,  0.02,  0.01)
164:     strbnd  ( -0.431,   2.009,   1.109)  ( -0.431,   2.009,   1.109)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.178,   0.549,  -1.277)  (  0.178,   0.549,  -1.277)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.244,  -0.585,   1.144)  ( -0.210,  -0.505,   0.988)  ( 0.82,  4.70, 13.65)
164:     vdw     (  1.404,   2.236,   1.130)  (  1.404,   2.236,   1.130)  ( 0.00,  0.00,  0.00)
164:     electro (  1.969,  -3.962,   0.282)  (  1.969,  -3.962,   0.282)  ( 0.00,  0.00,  0.00)
164:  9       ( -0.704,  -0.671,  -0.056)  (  0.394,   0.371,   0.139)  (77.26, 69.84,  1.09)
164:     bond    ( -7.812,  -8.638,  -5.588)  ( -7.808,  -8.633,  -5.586)  ( 0.05,  0.05,  0.04)
164:     angle   ( 12.778,  11.374,  19.741)  ( 12.780,  11.376,  19.743)  ( 0.02,  0.02,  0.01)
164:     strbnd  (  4.362,   3.842,  -7.340)  (  4.361,   3.842,  -7.341)  ( 0.02,  0.02,  0.01)
164:     torsion ( -1.339,  -2.456,  -4.051)  ( -1.339,  -2.456,  -4.051)  ( 0.00,  0.00,  0.00)
164:     oop     ( -4.513,  -5.190,  -1.298)  ( -3.420,  -4.155,  -1.107)  (24.21, 19.95, 14.74)
164:     vdw     (  0.230,   3.142,   1.240)  (  0.230,   3.143,   1.240)  ( 0.00,  0.00,  0.00)
164:     electro ( -4.410,  -2.746,  -2.761)  ( -4.410,  -2.746,  -2.761)  ( 0.00,  0.00,  0.00)
164: 10       ( -0.145,   0.204,   0.151)  ( -0.062,   0.014,  -0.015)  ( 1.21,  3.88,  2.49)
164:     bond    ( -0.630,   1.775,  12.572)  ( -0.627,   1.778,  12.577)  ( 0.18,  0.16,  0.04)
164:     angle   (  6.045,   0.014, -16.923)  (  6.048,   0.016, -16.921)  ( 0.04,  0.00,  0.01)
164:     strbnd  ( -7.393,  -1.780,  -1.355)  ( -7.394,  -1.782,  -1.356)  ( 0.01,  0.08,  0.05)
164:     torsion ( -2.978,   1.047,  -0.463)  ( -2.978,   1.047,  -0.463)  ( 0.00,  0.00,  0.00)
164:     oop     (  1.166,   3.054,   2.028)  (  1.244,   2.860,   1.857)  ( 6.76,  6.34,  8.45)
164:     vdw     (  2.417,   3.304,   0.233)  (  2.417,   3.304,   0.233)  ( 0.00,  0.00,  0.00)
164:     electro (  1.227,  -7.208,   4.059)  (  1.227,  -7.208,   4.059)  ( 0.00,  0.00,  0.00)
164: 11       ( -0.193,  -2.395,  -0.387)  (  0.210,  -0.194,   0.018)  ( 7.77, 91.89, 15.69)
164:     bond    ( 10.742,   6.592,  -1.930)  ( 10.747,   6.594,  -1.926)  ( 0.05,  0.02,  0.18)
164:     angle   ( -4.937, -17.076,   7.817)  ( -4.936, -17.075,   7.819)  ( 0.04,  0.01,  0.03)
164:     strbnd  ( -1.830,  -0.656,   3.895)  ( -1.830,  -0.657,   3.894)  ( 0.03,  0.03,  0.01)
164:     torsion (  5.970,  14.380,  -7.419)  (  5.971,  14.380,  -7.419)  ( 0.00,  0.00,  0.00)
164:     oop     ( -6.219, -17.227,  -5.679)  ( -5.823, -15.030,  -5.279)  ( 6.37, 12.76,  7.04)
164:     vdw     ( -1.251,   1.961,   1.619)  ( -1.251,   1.961,   1.619)  ( 0.01,  0.00,  0.00)
164:     electro ( -2.668,   9.632,   1.310)  ( -2.668,   9.632,   1.309)  ( 0.00,  0.00,  0.00)
164: 12       ( -0.015,  -0.043,  -0.016)  ( -0.014,  -0.042,  -0.013)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yoj_8y6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yol_ebn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ypu_i41.sdf
164:     bond    ( -0.064,  -0.227,  -0.383)  ( -0.063,  -0.226,  -0.380)  ( 0.00,  0.02,  0.10)
164:     angle   ( -5.122,  -0.874,   1.372)  ( -5.121,  -0.873,   1.372)  ( 0.01,  0.03,  0.01)
164:     strbnd  (  0.712,   0.432,   0.989)  (  0.712,   0.432,   0.989)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.289,  -0.711,   0.374)  (  0.289,  -0.711,   0.374)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.169,   1.337,  -2.368)  (  4.169,   1.337,  -2.368)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 13       (  0.009,  -0.036,  -0.036)  (  0.011,  -0.034,  -0.035)  ( 0.00,  0.01,  0.00)
164:     bond    (  7.080, -17.260,   8.482)  (  7.081, -17.259,   8.482)  ( 0.02,  0.01,  0.00)
164:     angle   ( -5.148,   2.623,  -1.308)  ( -5.148,   2.624,  -1.307)  ( 0.00,  0.03,  0.05)
164:     strbnd  ( -0.387,   6.300,  -1.373)  ( -0.387,   6.299,  -1.373)  ( 0.00,  0.01,  0.00)
164:     torsion (  0.837,   0.450,   0.871)  (  0.837,   0.450,   0.871)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.152,   6.289,  -6.678)  ( -2.152,   6.289,  -6.677)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.220,   1.563,  -0.030)  ( -0.220,   1.563,  -0.030)  ( 0.00,  0.00,  0.00)
164: 14       (  3.917,   5.394,   1.410)  ( -0.341,   0.047,  -0.005)  (108.71, 99.13, 100.32)
164:     bond    (  1.728,   7.650, -26.617)  (  1.731,   7.651, -26.606)  ( 0.18,  0.02,  0.04)
164:     angle   (-12.444,  -3.256,  -6.802)  (-12.443,  -3.255,  -6.800)  ( 0.01,  0.03,  0.03)
164:     strbnd  ( -0.283,  -8.072,  23.375)  ( -0.284,  -8.072,  23.374)  ( 0.01,  0.00,  0.01)
164:     torsion ( -1.208,  -7.791,   2.702)  ( -1.208,  -7.791,   2.702)  ( 0.01,  0.00,  0.00)
164:     oop     ( 16.911,  22.685,   7.558)  ( 12.649,  17.335,   6.131)  (25.21, 23.58, 18.88)
164:     vdw     ( -7.544,  -1.421,   3.983)  ( -7.544,  -1.421,   3.983)  ( 0.00,  0.00,  0.00)
164:     electro (  6.757,  -4.401,  -2.789)  (  6.757,  -4.401,  -2.789)  ( 0.00,  0.00,  0.00)
164: 15       (  0.005,   0.033,  -0.033)  (  0.006,   0.036,  -0.032)  ( 0.00,  0.01,  0.00)
164:     bond    ( -0.124,  -3.231,  -0.971)  ( -0.124,  -3.228,  -0.971)  ( 0.00,  0.10,  0.03)
164:     angle   (  4.975,   0.074,  -0.882)  (  4.976,   0.074,  -0.882)  ( 0.01,  0.00,  0.04)
164:     strbnd  ( -1.156,   1.633,  -0.157)  ( -1.156,   1.633,  -0.157)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.003,  -0.118,   0.391)  ( -0.003,  -0.118,   0.391)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.688,   1.674,   1.586)  ( -3.688,   1.674,   1.586)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 16       ( -2.750,  -3.359,  -1.104)  ( -0.093,  -0.188,  -0.129)  (96.60, 94.39, 88.36)
164:     bond    ( -4.283,  -2.663,  20.496)  ( -4.282,  -2.663,  20.505)  ( 0.01,  0.00,  0.05)
164:     angle   ( -0.168,   2.881,   0.339)  ( -0.168,   2.882,   0.339)  ( 0.01,  0.01,  0.00)
164:     strbnd  (  4.201,   1.886, -19.314)  (  4.201,   1.886, -19.314)  ( 0.00,  0.01,  0.00)
164:     torsion (  1.537,   3.049,   0.717)  (  1.537,   3.049,   0.717)  ( 0.00,  0.00,  0.00)
164:     oop     ( -7.000,  -8.683,  -2.589)  ( -4.344,  -5.513,  -1.623)  (37.94, 36.51, 37.31)
164:     vdw     ( -3.415,  -0.431,   2.105)  ( -3.415,  -0.431,   2.105)  ( 0.00,  0.00,  0.00)
164:     electro (  6.378,   0.602,  -2.858)  (  6.378,   0.602,  -2.858)  ( 0.00,  0.00,  0.00)
164: 17       (  0.022,  -0.029,  -0.074)  (  0.027,  -0.025,  -0.069)  ( 0.01,  0.01,  0.03)
164:     bond    ( -7.091,   2.130,  -1.977)  ( -7.088,   2.132,  -1.974)  ( 0.05,  0.14,  0.17)
164:     angle   (  4.462,   8.345,  -1.889)  (  4.464,   8.347,  -1.887)  ( 0.04,  0.02,  0.09)
164:     strbnd  (  3.433,  -7.634,   3.029)  (  3.432,  -7.635,   3.028)  ( 0.02,  0.01,  0.02)
164:     torsion ( -1.295,  -0.201,  -0.359)  ( -1.295,  -0.201,  -0.359)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.436,   1.064,  -0.784)  (  0.436,   1.064,  -0.784)  ( 0.00,  0.00,  0.00)
164:     electro (  0.078,  -3.732,   1.907)  (  0.078,  -3.732,   1.907)  ( 0.00,  0.00,  0.00)
164: 18       ( -0.527,   0.717,   0.247)  ( -0.131,  -0.014,  -0.098)  (20.83, 52.36,  8.52)
164:     bond    (  2.690,  -5.259,  -9.175)  (  2.694,  -5.255,  -9.171)  ( 0.14,  0.07,  0.05)
164:     angle   (  0.459,   8.749,   5.203)  (  0.461,   8.751,   5.206)  ( 0.09,  0.02,  0.04)
164:     strbnd  (  3.654,  -2.284,  -2.072)  (  3.653,  -2.285,  -2.073)  ( 0.03,  0.02,  0.02)
164:     torsion (  2.026,  -5.810,   3.568)  (  2.026,  -5.810,   3.568)  ( 0.00,  0.00,  0.00)
164:     oop     ( -2.189,   4.693,   2.103)  ( -1.798,   3.957,   1.752)  (17.86, 15.67, 16.70)
164:     vdw     (  0.057,  -1.642,   0.671)  (  0.057,  -1.642,   0.671)  ( 0.00,  0.00,  0.00)
164:     electro ( -7.224,   2.269,  -0.051)  ( -7.224,   2.269,  -0.051)  ( 0.00,  0.00,  0.00)
164: 19       (  0.014,  -0.054,   0.035)  (  0.020,  -0.048,   0.040)  ( 0.01,  0.03,  0.02)
164:     bond    ( -4.572,   7.582,   9.251)  ( -4.568,   7.586,   9.256)  ( 0.10,  0.06,  0.05)
164:     angle   (  4.311, -10.172,  -3.123)  (  4.312, -10.170,  -3.121)  ( 0.04,  0.02,  0.06)
164:     strbnd  ( -2.161,   2.017,   1.879)  ( -2.161,   2.016,   1.878)  ( 0.02,  0.03,  0.04)
164:     torsion ( -0.707,  -0.056,  -0.329)  ( -0.707,  -0.056,  -0.328)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.144,   0.575,  -7.644)  (  3.144,   0.575,  -7.644)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 20       (  0.055,   0.023,  -0.083)  (  0.061,   0.028,  -0.077)  ( 0.03,  0.01,  0.05)
164:     bond    ( -7.858,  -5.077,  -5.109)  ( -7.854,  -5.072,  -5.105)  ( 0.05,  0.09,  0.09)
164:     angle   (  6.358,   2.036,   6.266)  (  6.360,   2.038,   6.268)  ( 0.03,  0.09,  0.03)
164:     strbnd  ( -2.171,  -0.422,  -1.231)  ( -2.172,  -0.423,  -1.232)  ( 0.04,  0.02,  0.05)
164:     torsion (  0.971,  -0.883,  -0.568)  (  0.971,  -0.883,  -0.568)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.756,   4.369,   0.559)  (  2.756,   4.369,   0.559)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 21       (  1.073,   0.070,  -0.862)  (  0.111,  -0.108,  -0.067)  (89.62,  1.25, 68.53)
164:     bond    ( -7.303,  18.452,  -4.755)  ( -7.301,  18.461,  -4.751)  ( 0.03,  0.05,  0.10)
164:     angle   ( 11.493, -17.158,   1.980)  ( 11.494, -17.156,   1.981)  ( 0.01,  0.01,  0.07)
164:     strbnd  ( -4.739,   3.053,  -5.420)  ( -4.739,   3.052,  -5.421)  ( 0.01,  0.04,  0.02)
164:     torsion ( -1.507,   0.152,   2.650)  ( -1.507,   0.152,   2.650)  ( 0.01,  0.00,  0.00)
164:     oop     (  5.247,   1.013,  -4.389)  (  4.282,   0.825,  -3.599)  (18.39, 18.57, 18.00)
164:     vdw     ( -2.898,  -4.553,   6.605)  ( -2.898,  -4.553,   6.605)  ( 0.00,  0.00,  0.00)
164:     electro (  0.780,  -0.889,   2.467)  (  0.780,  -0.889,   2.467)  ( 0.00,  0.00,  0.00)
164: 22       (  0.011,   0.068,   0.026)  (  0.012,   0.070,   0.029)  ( 0.00,  0.01,  0.01)
164:     bond    (  0.328,  -2.247,  -3.859)  (  0.328,  -2.246,  -3.857)  ( 0.00,  0.04,  0.06)
164:     angle   ( -0.121,   1.446,  -0.853)  ( -0.120,   1.446,  -0.853)  ( 0.01,  0.03,  0.01)
164:     strbnd  (  0.002,   0.481,   0.353)  (  0.002,   0.481,   0.353)  ( 0.00,  0.00,  0.00)
164:     torsion ( -2.329,  -0.221,  -0.069)  ( -2.329,  -0.221,  -0.069)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.131,   0.609,   4.454)  (  2.131,   0.609,   4.454)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 23       ( -0.191,  -0.011,   0.189)  (  0.002,   0.035,   0.026)  ( 3.69,  0.05,  3.08)
164:     bond    (  2.346,  -0.713,   2.597)  (  2.348,  -0.708,   2.600)  ( 0.09,  0.35,  0.10)
163: ----------------------------------------------------------------------------------------
163:  1       (-483.685, -788.434, -25.900)  (-483.635, -788.379, -25.858)  ( 0.01,  0.01,  0.16)
163:     bond    (-123.483, -133.688,  12.161)  (-123.445, -133.645,  12.191)  ( 0.03,  0.03,  0.25)
163:     angle   (-359.908, -649.896, -38.074)  (-359.897, -649.884, -38.062)  ( 0.00,  0.00,  0.03)
163:     torsion (  2.101,  -1.457,   2.833)  (  2.101,  -1.457,   2.833)  ( 0.02,  0.02,  0.02)
163:     vdw     ( -2.395,  -3.392,  -2.820)  ( -2.395,  -3.392,  -2.820)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       (-150.289,  75.914, 142.318)  (-150.239,  75.954, 142.365)  ( 0.03,  0.05,  0.03)
163:     bond    (  9.834,  50.544, -146.894)  (  9.875,  50.571, -146.855)  ( 0.41,  0.05,  0.03)
163:     angle   (-153.746,  27.483, 293.328)  (-153.736,  27.495, 293.336)  ( 0.01,  0.04,  0.00)
163:     torsion ( -6.223,  -2.600,  -3.652)  ( -6.222,  -2.599,  -3.651)  ( 0.01,  0.03,  0.02)
163:     vdw     ( -0.155,   0.487,  -0.464)  ( -0.155,   0.487,  -0.464)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       (118.446, 171.114, -465.743)  (118.500, 171.156, -465.699)  ( 0.04,  0.02,  0.01)
163:     bond    (-19.118,  50.713, -154.500)  (-19.073,  50.747, -154.471)  ( 0.24,  0.07,  0.02)
163:     angle   (137.091,  91.897, -324.372)  (137.099,  91.904, -324.357)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.601,  28.940,  16.482)  ( -0.601,  28.940,  16.483)  ( 0.00,  0.00,  0.00)
163:     vdw     (  1.074,  -0.436,  -3.354)  (  1.074,  -0.436,  -3.354)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       (-86.609, 439.014, 711.149)  (-86.565, 439.062, 711.205)  ( 0.05,  0.01,  0.01)
163:     bond    (-32.932,  73.361, 171.694)  (-32.901,  73.397, 171.737)  ( 0.09,  0.05,  0.03)
163:     angle   (-54.988, 361.477, 537.547)  (-54.976, 361.488, 537.560)  ( 0.02,  0.00,  0.00)
163:     torsion (  0.844,   1.591,  -0.716)  (  0.845,   1.592,  -0.716)  ( 0.04,  0.03,  0.01)
163:     vdw     (  0.467,   2.585,   2.624)  (  0.467,   2.585,   2.624)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       ( -7.567, -638.470,  59.542)  ( -7.494, -638.410,  59.578)  ( 0.97,  0.01,  0.06)
163:     bond    (236.905, -169.810,   6.565)  (236.972, -169.758,   6.592)  ( 0.03,  0.03,  0.41)
163:     angle   (-212.896, -410.032, 140.931)  (-212.889, -410.024, 140.940)  ( 0.00,  0.00,  0.01)
163:     torsion (-26.430, -66.832, -87.390)  (-26.430, -66.832, -87.390)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -5.147,   8.205,  -0.565)  ( -5.147,   8.205,  -0.565)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       (228.653, 260.133,  44.807)  (228.739, 260.195,  44.834)  ( 0.04,  0.02,  0.06)
163:     bond    (-54.553, -97.251, 136.985)  (-54.476, -97.200, 137.006)  ( 0.14,  0.05,  0.02)
163:     angle   (241.657, 321.716, -125.937)  (241.665, 321.726, -125.930)  ( 0.00,  0.00,  0.00)
163:     torsion ( 33.723,  32.553,  36.486)  ( 33.724,  32.554,  36.486)  ( 0.00,  0.00,  0.00)
163:     vdw     (  8.350,   3.286,  -3.257)  (  8.350,   3.286,  -3.257)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.524,  -0.171,   0.530)  ( -0.524,  -0.171,   0.530)  ( 0.00,  0.00,  0.00)
163:  7       (-587.438, -143.305,  11.645)  (-587.363, -143.225,  11.664)  ( 0.01,  0.06,  0.17)
163:     bond    (-298.842, -73.718,  17.820)  (-298.773, -73.651,  17.834)  ( 0.02,  0.09,  0.08)
163:     angle   (-258.526, -67.862, -17.538)  (-258.520, -67.851, -17.531)  ( 0.00,  0.02,  0.04)
163:     torsion (-39.427,  -2.663,  13.927)  (-39.427,  -2.663,  13.926)  ( 0.00,  0.00,  0.01)
163:     vdw     (  9.955,   0.661,  -2.710)  (  9.955,   0.661,  -2.710)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.598,   0.279,   0.145)  ( -0.598,   0.279,   0.145)  ( 0.00,  0.00,  0.00)
163:  8       ( 45.410,  31.974, 493.709)  ( 45.471,  32.044, 493.748)  ( 0.13,  0.22,  0.01)
163:     bond    (-37.015, 339.079, 109.544)  (-36.964, 339.142, 109.578)  ( 0.14,  0.02,  0.03)
163:     angle   ( 63.762, -301.464, 382.571)  ( 63.773, -301.456, 382.577)  ( 0.02,  0.00,  0.00)
163:     torsion ( 14.673,   1.679,  -0.383)  ( 14.672,   1.679,  -0.383)  ( 0.00,  0.00,  0.02)
163:     vdw     (  3.991,  -7.321,   1.976)  (  3.991,  -7.320,   1.976)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  9       (360.867, 242.908, -676.023)  (360.927, 242.947, -675.950)  ( 0.02,  0.02,  0.01)
163:     bond    (152.916,   8.014, -198.640)  (152.966,   8.044, -198.571)  ( 0.03,  0.37,  0.03)
163:     angle   (227.853, 245.387, -443.490)  (227.864, 245.396, -443.485)  ( 0.00,  0.00,  0.00)
163:     torsion (-13.958, -16.520, -43.857)  (-13.958, -16.521, -43.857)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -5.702,   5.042,  10.533)  ( -5.702,   5.042,  10.533)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.242,   0.986,  -0.569)  ( -0.242,   0.986,  -0.569)  ( 0.00,  0.00,  0.00)
163: 10       (-111.605, -180.030, 561.474)  (-111.548, -179.947, 561.506)  ( 0.05,  0.05,  0.01)
163:     bond    ( 67.468,  54.576, -12.563)  ( 67.512,  54.651, -12.535)  ( 0.07,  0.14,  0.22)
163:     angle   (-184.159, -249.578, 505.421)  (-184.147, -249.570, 505.426)  ( 0.01,  0.00,  0.00)
163:     torsion ( 13.823,  16.842,  62.209)  ( 13.823,  16.842,  62.209)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -9.154,  -2.355,   6.685)  ( -9.154,  -2.355,   6.685)  ( 0.00,  0.00,  0.00)
163:     electro (  0.418,   0.486,  -0.279)  (  0.418,   0.486,  -0.279)  ( 0.00,  0.00,  0.00)
163: 11       ( 38.790, -27.584, -102.068)  ( 38.833, -27.533, -102.027)  ( 0.11,  0.18,  0.04)
163:     bond    (-120.065, -106.033,  79.009)  (-120.030, -105.994,  79.042)  ( 0.03,  0.04,  0.04)
163:     angle   (150.692,  64.751, -222.033)  (150.700,  64.762, -222.025)  ( 0.01,  0.02,  0.00)
163:     torsion (  7.707,  14.295,  42.537)  (  7.708,  14.295,  42.537)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.455,  -0.597,  -1.581)  (  0.455,  -0.597,  -1.581)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (315.995, -171.132, -664.068)  (316.042, -171.087, -664.013)  ( 0.01,  0.03,  0.01)
163:     bond    ( 87.522, -58.387, -171.625)  ( 87.557, -58.353, -171.583)  ( 0.04,  0.06,  0.02)
163:     angle   (229.808, -113.542, -492.188)  (229.819, -113.531, -492.175)  ( 0.00,  0.01,  0.00)
163:     torsion ( -0.960,   0.838,  -0.805)  ( -0.960,   0.839,  -0.805)  ( 0.04,  0.04,  0.01)
163:     vdw     ( -0.375,  -0.042,   0.550)  ( -0.375,  -0.042,   0.550)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 13       (222.439, -937.863, 264.573)  (222.468, -937.828, 264.632)  ( 0.01,  0.00,  0.02)
163:     bond    (-46.368, -89.865,  59.959)  (-46.335, -89.841,  60.025)  ( 0.07,  0.03,  0.11)
163:     angle   (258.667, -818.948, 227.732)  (258.669, -818.936, 227.731)  ( 0.00,  0.00,  0.00)
163:     torsion (  9.754, -28.354, -26.126)  (  9.749, -28.354, -26.131)  ( 0.06,  0.00,  0.02)
163:     vdw     (  0.300,   0.067,   3.587)  (  0.300,   0.067,   3.587)  ( 0.00,  0.00,  0.00)
163:     electro (  0.085,  -0.764,  -0.579)  (  0.085,  -0.764,  -0.579)  ( 0.00,  0.00,  0.00)
163: 14       (-757.574, 461.942, 328.683)  (-757.618, 461.994, 328.644)  ( 0.01,  0.01,  0.01)
163:     bond    (  0.586, -45.719,   2.500)  (  0.597, -45.671,   2.514)  ( 0.66,  0.11,  0.57)
163:     angle   (-779.027, 502.723, 295.552)  (-779.044, 502.728, 295.532)  ( 0.00,  0.00,  0.01)
163:     torsion ( 18.184,   6.220,  25.946)  ( 18.147,   6.220,  25.912)  ( 0.20,  0.00,  0.13)
163:     vdw     (  2.459,  -1.220,   3.406)  (  2.459,  -1.220,   3.406)  ( 0.00,  0.00,  0.00)
163:     electro (  0.223,  -0.062,   1.279)  (  0.223,  -0.062,   1.279)  ( 0.00,  0.00,  0.00)
163: 15       ( 96.111, 521.505, -194.221)  ( 96.129, 521.512, -194.178)  ( 0.02,  0.00,  0.02)
163:     bond    (  1.977,   0.804,   3.060)  (  1.996,   0.807,   3.104)  ( 0.92,  0.24,  1.44)
163:     angle   (106.071, 506.715, -199.983)  (106.072, 506.720, -199.984)  ( 0.00,  0.00,  0.00)
163:     torsion (-10.804,  13.214,   3.508)  (-10.804,  13.214,   3.508)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yvk_mru.sdf
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 57       ( 47.292,  52.205, -38.554)  ( 47.297,  52.209, -38.549)  ( 0.01,  0.01,  0.01)
166:     bond    ( 26.876,  35.751, -12.136)  ( 26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
166:     angle   (  0.078,  -0.014,  -0.007)  (  0.079,  -0.013,  -0.006)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( 17.157,  20.000, -12.414)  ( 17.159,  20.000, -12.413)  ( 0.01,  0.00,  0.01)
166:     torsion (  0.014,   0.019,   0.017)  (  0.014,   0.019,   0.017)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.002,   0.006,   0.005)  (  0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.164,  -3.556, -14.019)  (  3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 58       (  3.504, -53.454,  17.121)  (  3.509, -53.448,  17.126)  ( 0.15,  0.01,  0.02)
166:     bond    (-12.452, -26.537,  26.356)  (-12.448, -26.533,  26.357)  ( 0.04,  0.01,  0.01)
166:     angle   ( -9.977,   5.381,  -2.072)  ( -9.975,   5.383,  -2.071)  ( 0.02,  0.04,  0.05)
166:     strbnd  ( 29.601, -21.772,  10.437)  ( 29.601, -21.772,  10.438)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.442,  -1.853,  -6.723)  (  1.442,  -1.853,  -6.722)  ( 0.02,  0.02,  0.01)
166:     oop     (  0.004,  -0.006,  -0.012)  (  0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.113,  -8.667, -10.865)  ( -5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 59       ( 57.517, -33.972,  18.680)  ( 57.526, -33.965,  18.684)  ( 0.02,  0.02,  0.02)
166:     bond    ( 43.256,  -7.494,  14.575)  ( 43.260,  -7.491,  14.577)  ( 0.01,  0.04,  0.01)
166:     angle   ( -5.272,   6.049,  -3.749)  ( -5.270,   6.051,  -3.748)  ( 0.03,  0.03,  0.03)
166:     strbnd  ( 14.441, -25.674,  15.790)  ( 14.443, -25.673,  15.791)  ( 0.01,  0.00,  0.00)
166:     torsion ( -0.018,   1.819,   2.940)  ( -0.018,   1.820,   2.940)  ( 0.00,  0.02,  0.02)
166:     oop     ( -0.004,  -0.006,  -0.012)  ( -0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     (  5.113,  -8.667, -10.865)  (  5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 60       (-52.445, -20.208,   0.196)  (-52.439, -20.201,   0.199)  ( 0.01,  0.04,  0.06)
166:     bond    (-30.817, -15.091,  19.379)  (-30.813, -15.086,  19.380)  ( 0.01,  0.03,  0.00)
166:     angle   (  5.186,  -6.105,   3.821)  (  5.188,  -6.103,   3.822)  ( 0.04,  0.03,  0.02)
166:     strbnd  (-26.815,  14.635, -11.154)  (-26.815,  14.635, -11.154)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.000,  -1.831,  -2.952)  (  0.001,  -1.831,  -2.951)  ( 0.00,  0.01,  0.02)
166:     oop     ( -0.000,   0.005,   0.010)  (  0.000,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.000, -11.821,  -8.908)  ( -0.000, -11.821,  -8.908)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: ok 18 # gradients 
166: ok 19 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ywp_a42.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yxj_n3c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yxn_azy.sdf
166:  1       ( 47.614,  10.906,   0.039)  ( 47.621,  10.915,   0.093)  ( 0.02,  0.08,  0.21)
166:     bond    ( 30.636,  -6.297,   0.167)  ( 30.642,  -6.289,   0.167)  ( 0.02,  0.13,  0.00)
166:     angle   ( 32.862,  34.136,   0.480)  ( 32.865,  34.139,   0.480)  ( 0.01,  0.01,  0.00)
166:     strbnd  (-13.324,  -8.673,  -0.104)  (-13.325,  -8.674,  -0.104)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.006,   0.007,  -0.513)  (  0.006,   0.007,  -0.512)  ( 0.00,  0.00,  0.06)
166:     oop     (  0.002,   0.002,  -0.095)  (  0.001,   0.002,  -0.042)  ( 0.00,  0.00,  0.50)
166:     vdw     ( -4.980, -11.257,   0.121)  ( -4.980, -11.256,   0.121)  ( 0.00,  0.00,  0.00)
166:     electro (  2.412,   2.988,  -0.017)  (  2.412,   2.988,  -0.017)  ( 0.00,  0.00,  0.00)
166:  2       (-60.261, -26.975,  -1.911)  (-60.251, -26.967,  -1.824)  ( 0.02,  0.03,  4.56)
166:     bond    (-30.553,  -9.880,   0.169)  (-30.547,  -9.873,   0.169)  ( 0.02,  0.07,  0.00)
166:     angle   (-46.521, -10.271,   0.396)  (-46.518, -10.269,   0.396)  ( 0.01,  0.02,  0.00)
166:     strbnd  ( 17.496,  -2.306,  -0.133)  ( 17.495,  -2.306,  -0.133)  ( 0.00,  0.03,  0.00)
166:     torsion ( -0.025,   0.014,  -1.717)  ( -0.025,   0.014,  -1.715)  ( 0.00,  0.00,  0.08)
166:     oop     ( -0.003,   0.003,  -0.342)  ( -0.002,   0.003,  -0.256)  ( 0.00,  0.00,  2.94)
166:     vdw     (  1.588, -12.705,  -0.305)  (  1.588, -12.704,  -0.305)  ( 0.01,  0.00,  0.00)
166:     electro ( -2.243,   8.169,   0.021)  ( -2.243,   8.169,   0.021)  ( 0.00,  0.00,  0.00)
166:  3       ( 23.923, -14.162,   0.682)  ( 23.930, -14.154,   0.630)  ( 0.03,  0.06,  3.56)
166:     bond    ( 39.764,   9.492,  -0.196)  ( 39.769,   9.499,  -0.196)  ( 0.01,  0.07,  0.00)
166:     angle   ( -9.543, -33.981,   0.308)  ( -9.540, -33.979,   0.308)  ( 0.03,  0.01,  0.01)
166:     strbnd  ( -7.639,   9.515,  -0.055)  ( -7.639,   9.513,  -0.055)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.006,   0.806,   0.449)  (  0.006,   0.806,   0.450)  ( 0.00,  0.00,  0.05)
166:     oop     (  0.002,  -0.000,   0.198)  (  0.001,  -0.000,   0.145)  ( 0.00,  0.00,  1.06)
166:     vdw     (  9.366,   0.886,   0.003)  (  9.367,   0.886,   0.003)  ( 0.00,  0.00,  0.00)
166:     electro ( -8.034,  -0.879,  -0.025)  ( -8.034,  -0.879,  -0.025)  ( 0.00,  0.00,  0.00)
166:  4       (  0.151,  -4.788,  -0.160)  (  0.160,  -4.776,  -0.094)  ( 0.15,  0.26,  1.05)
166:     bond    (-10.729, -14.628,   0.267)  (-10.721, -14.617,   0.267)  ( 0.08,  0.07,  0.01)
166:     angle   ( 32.474,  51.618,  -0.713)  ( 32.476,  51.622,  -0.713)  ( 0.01,  0.01,  0.01)
166:     strbnd  (-21.280, -41.834,   0.455)  (-21.281, -41.837,   0.455)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.002,   0.006,   0.844)  (  0.002,   0.006,   0.845)  ( 0.00,  0.00,  0.09)
166:     oop     ( -0.003,  -0.003,  -0.380)  ( -0.002,  -0.003,  -0.316)  ( 0.00,  0.00,  2.45)
166:     vdw     (  7.224,  10.517,  -0.632)  (  7.224,  10.517,  -0.632)  ( 0.00,  0.00,  0.00)
166:     electro ( -7.539, -10.463,  -0.002)  ( -7.539, -10.463,  -0.002)  ( 0.00,  0.00,  0.00)
166:  5       ( 32.855,  54.085,  -1.761)  ( 32.859,  54.093,  -1.789)  ( 0.01,  0.01,  1.56)
166:     bond    ( 14.954,  25.801,  -0.346)  ( 14.956,  25.809,  -0.346)  ( 0.02,  0.03,  0.00)
166:     angle   ( -0.954,   0.553,   0.090)  ( -0.953,   0.554,   0.090)  ( 0.07,  0.01,  0.00)
166:     strbnd  ( 15.993,  27.797,  -0.361)  ( 15.993,  27.797,  -0.362)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.001,   0.000,   0.055)  (  0.001,   0.000,   0.055)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.001,   0.002,   0.182)  (  0.001,   0.001,   0.155)  ( 0.00,  0.00,  0.50)
166:     vdw     (  7.016,   4.718,  -1.422)  (  7.016,   4.718,  -1.422)  ( 0.00,  0.00,  0.00)
166:     electro ( -4.154,  -4.786,   0.041)  ( -4.154,  -4.786,   0.041)  ( 0.00,  0.00,  0.00)
166:  6       ( -0.214,   8.915,  -1.332)  ( -0.206,   8.924,  -1.372)  ( 0.18,  0.09,  3.00)
166:     bond    (-14.177,  30.083,  -0.172)  (-14.170,  30.088,  -0.172)  ( 0.05,  0.02,  0.00)
166:     angle   (  8.442, -39.763,   0.869)  (  8.444, -39.760,   0.869)  ( 0.03,  0.01,  0.03)
166:     strbnd  ( 11.495,   9.907,  -0.096)  ( 11.495,   9.907,  -0.096)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.474,  -0.285,  -2.183)  ( -0.474,  -0.285,  -2.182)  ( 0.00,  0.00,  0.04)
166:     oop     ( -0.000,   0.000,   0.253)  (  0.000,   0.000,   0.212)  ( 0.00,  0.00,  1.05)
166:     vdw     ( -6.893,  11.755,   0.015)  ( -6.893,  11.755,   0.015)  ( 0.00,  0.00,  0.00)
166:     electro (  1.393,  -2.782,  -0.018)  (  1.393,  -2.782,  -0.018)  ( 0.00,  0.00,  0.00)
166:  7       ( -6.401,  -0.928,  -0.439)  ( -6.387,  -0.919,  -0.348)  ( 0.22,  0.80,  4.02)
166:     bond    ( 14.169,   8.086,   0.243)  ( 14.182,   8.092,   0.243)  ( 0.09,  0.08,  0.01)
166:     angle   (-42.998, -14.458,  -0.436)  (-42.996, -14.456,  -0.436)  ( 0.01,  0.02,  0.01)
166:     strbnd  ( 11.153,   0.471,   0.082)  ( 11.151,   0.470,   0.082)  ( 0.01,  0.04,  0.00)
166:     torsion ( -0.007,  -0.000,   0.644)  ( -0.007,  -0.000,   0.645)  ( 0.00,  0.00,  0.05)
166:     oop     (  0.002,  -0.000,  -0.666)  (  0.002,   0.000,  -0.576)  ( 0.00,  0.00,  6.05)
166:     vdw     ( -7.050,  -0.891,  -0.311)  ( -7.050,  -0.891,  -0.311)  ( 0.00,  0.01,  0.00)
166:     electro ( 18.330,   5.865,   0.006)  ( 18.330,   5.865,   0.006)  ( 0.00,  0.00,  0.00)
166:  8       (-50.729,  -2.197,  -0.504)  (-50.718,  -2.195,  -0.571)  ( 0.02,  0.05,  3.40)
166:     bond    (-33.079,   0.439,  -0.219)  (-33.068,   0.439,  -0.220)  ( 0.03,  0.01,  0.00)
166:     angle   (  0.010,   0.811,   0.102)  (  0.010,   0.812,   0.102)  ( 0.00,  0.09,  0.00)
166:     strbnd  (-14.392,  -0.434,  -0.079)  (-14.392,  -0.434,  -0.079)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.001,  -0.000,  -0.092)  (  0.001,  -0.000,  -0.092)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.002,  -0.000,   0.361)  ( -0.002,  -0.000,   0.293)  ( 0.00,  0.00,  2.44)
166:     vdw     ( -5.725,  -2.617,  -0.509)  ( -5.725,  -2.617,  -0.509)  ( 0.00,  0.01,  0.00)
166:     electro (  2.458,  -0.395,  -0.067)  (  2.458,  -0.395,  -0.067)  ( 0.00,  0.00,  0.00)
166:  9       (-32.034, -12.171,  -0.517)  (-32.026, -12.162,  -0.554)  ( 0.03,  0.07,  1.89)
166:     bond    (-31.682, -14.421,  -0.455)  (-31.675, -14.415,  -0.455)  ( 0.02,  0.04,  0.00)
166:     angle   (  5.174,   7.290,   0.065)  (  5.177,   7.293,   0.066)  ( 0.05,  0.03,  0.00)
166:     strbnd  ( -6.582,  -2.350,  -0.240)  ( -6.583,  -2.351,  -0.240)  ( 0.02,  0.05,  0.00)
166:     torsion (  0.000,   0.005,  -0.080)  (  0.000,   0.005,  -0.079)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.001,  -0.003,   0.207)  ( -0.000,  -0.002,   0.169)  ( 0.00,  0.00,  0.78)
166:     vdw     (  1.438,  -3.381,  -0.019)  (  1.438,  -3.381,  -0.019)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.381,   0.689,   0.005)  ( -0.381,   0.689,   0.005)  ( 0.00,  0.00,  0.00)
166: 10       (-11.709, -23.421,  -0.019)  (-11.704, -23.415,  -0.082)  ( 0.04,  0.03,  0.12)
166:     bond    (-32.483, -35.767,  -0.526)  (-32.480, -35.763,  -0.526)  ( 0.01,  0.01,  0.01)
166:     angle   ( 26.625,   6.434,  -0.197)  ( 26.627,   6.434,  -0.197)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -1.629,   3.816,   0.065)  ( -1.629,   3.816,   0.065)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.008,  -0.005,   0.486)  (  0.008,  -0.005,   0.486)  ( 0.00,  0.00,  0.02)
166:     oop     (  0.002,  -0.005,   0.355)  (  0.001,  -0.005,   0.291)  ( 0.00,  0.00,  2.26)
166:     vdw     ( -3.198,  -3.532,  -0.228)  ( -3.198,  -3.531,  -0.228)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.035,   5.639,   0.027)  ( -1.035,   5.639,   0.027)  ( 0.00,  0.00,  0.00)
166: 11       ( 35.827,   8.607,  -0.338)  ( 35.834,   8.614,  -0.245)  ( 0.02,  0.08,  3.13)
166:     bond    ( 44.495,  11.383,   0.093)  ( 44.502,  11.390,   0.093)  ( 0.01,  0.06,  0.00)
166:     angle   ( -0.477,  -4.825,  -0.116)  ( -0.475,  -4.823,  -0.116)  ( 0.09,  0.05,  0.00)
166:     strbnd  (-12.211,   2.309,   0.059)  (-12.213,   2.308,   0.059)  ( 0.02,  0.02,  0.00)
166:     torsion ( -0.001,  -0.001,   0.053)  ( -0.001,  -0.001,   0.054)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,   0.010,  -0.488)  ( -0.000,   0.008,  -0.397)  ( 0.00,  0.00,  4.49)
166:     vdw     (  4.096,  -0.193,   0.062)  (  4.096,  -0.193,   0.062)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.073,  -0.076,  -0.001)  ( -0.073,  -0.076,  -0.001)  ( 0.00,  0.00,  0.00)
166: 12       ( 16.696,   4.159,   1.198)  ( 16.701,   4.165,   1.188)  ( 0.03,  0.16,  0.77)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yy1_nlc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2yze_nob.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z0p_4pt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z24_dor.sdf
164:     angle   ( -9.647,   2.693,  -9.181)  ( -9.647,   2.694,  -9.181)  ( 0.00,  0.05,  0.00)
164:     strbnd  (  2.977,   2.363,   3.838)  (  2.977,   2.363,   3.837)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.013,   0.016,  -0.011)  (  0.013,   0.016,  -0.011)  ( 0.00,  0.00,  0.00)
164:     oop     ( -1.579,  -0.309,   1.374)  ( -1.388,  -0.270,   1.208)  (12.09,  1.23, 12.08)
164:     vdw     (  1.642,  -3.834,   1.605)  (  1.642,  -3.834,   1.605)  ( 0.00,  0.00,  0.00)
164:     electro (  4.057,  -0.227,  -0.032)  (  4.057,  -0.227,  -0.032)  ( 0.00,  0.00,  0.00)
164: 24       (  0.004,   0.003,  -0.053)  (  0.005,   0.004,  -0.052)  ( 0.00,  0.00,  0.01)
164:     bond    ( -1.196,   1.182,  -0.827)  ( -1.194,   1.183,  -0.827)  ( 0.12,  0.11,  0.05)
164:     angle   ( -1.332,  -1.852,  -0.728)  ( -1.331,  -1.852,  -0.727)  ( 0.02,  0.02,  0.03)
164:     strbnd  (  0.241,  -1.027,   0.189)  (  0.241,  -1.026,   0.189)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.038,   0.002,   0.057)  ( -0.038,   0.002,   0.057)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.329,   1.697,   1.256)  (  2.329,   1.697,   1.256)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 25       ( -0.012,  -0.040,  -0.043)  ( -0.010,  -0.039,  -0.041)  ( 0.00,  0.01,  0.01)
164:     bond    ( -1.200,  -1.265,   1.435)  ( -1.199,  -1.264,   1.436)  ( 0.08,  0.08,  0.10)
164:     angle   ( -2.311,  -0.524,  -2.391)  ( -2.311,  -0.524,  -2.391)  ( 0.01,  0.02,  0.01)
164:     strbnd  ( -0.046,   0.131,  -0.817)  ( -0.046,   0.131,  -0.817)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.070,  -0.086,  -0.017)  (  0.070,  -0.086,  -0.017)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.476,   1.704,   1.748)  (  3.476,   1.704,   1.748)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 26       (  0.017,   0.031,  -0.062)  (  0.018,   0.032,  -0.060)  ( 0.00,  0.00,  0.01)
164:     bond    (  0.799,  -1.340,  -1.580)  (  0.799,  -1.338,  -1.578)  ( 0.04,  0.09,  0.11)
164:     angle   ( -3.338,  -0.613,  -1.171)  ( -3.337,  -0.613,  -1.171)  ( 0.01,  0.02,  0.02)
164:     strbnd  ( -0.745,   0.134,   0.227)  ( -0.745,   0.134,   0.227)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.007,  -0.067,   0.060)  (  0.007,  -0.067,   0.060)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.293,   1.916,   2.401)  (  3.293,   1.916,   2.401)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 27       ( -0.029,  -0.013,  -0.016)  ( -0.027,  -0.011,  -0.015)  ( 0.01,  0.00,  0.00)
164:     bond    ( -1.391,   1.340,  -0.747)  ( -1.389,   1.342,  -0.747)  ( 0.11,  0.11,  0.03)
164:     angle   ( -1.015,   0.530,   2.839)  ( -1.015,   0.530,   2.840)  ( 0.02,  0.01,  0.02)
164:     strbnd  (  0.553,  -0.368,   1.021)  (  0.553,  -0.368,   1.021)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.250,  -0.232,   0.047)  ( -0.250,  -0.232,   0.047)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.074,  -1.282,  -3.176)  (  2.074,  -1.282,  -3.176)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 28       ( -0.034,  -0.055,  -0.010)  ( -0.032,  -0.053,  -0.008)  ( 0.01,  0.01,  0.00)
164:     bond    (  1.317,   0.998,   0.899)  (  1.318,   0.999,   0.900)  ( 0.13,  0.10,  0.07)
164:     angle   ( -2.910,   1.945,   2.102)  ( -2.910,   1.946,   2.102)  ( 0.01,  0.02,  0.02)
164:     strbnd  ( -0.799,   0.069,   0.229)  ( -0.799,   0.069,   0.229)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.012,   0.069,  -0.059)  ( -0.012,   0.069,  -0.059)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.371,  -3.136,  -3.182)  (  2.371,  -3.135,  -3.182)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 29       ( -0.014,  -0.055,  -0.036)  ( -0.012,  -0.054,  -0.034)  ( 0.00,  0.01,  0.01)
164:     bond    ( -1.198,  -1.403,   1.700)  ( -1.197,  -1.402,   1.701)  ( 0.06,  0.08,  0.09)
164:     angle   ( -1.824,   2.897,   1.105)  ( -1.823,   2.897,   1.105)  ( 0.02,  0.01,  0.02)
164:     strbnd  (  0.202,   1.021,  -0.133)  (  0.202,   1.021,  -0.133)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.274,  -0.031,   0.167)  (  0.274,  -0.031,   0.167)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.531,  -2.539,  -2.875)  (  2.532,  -2.539,  -2.875)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 30       ( -0.010,   0.057,   0.047)  ( -0.010,   0.062,   0.047)  ( 0.00,  0.03,  0.00)
164:     bond    ( -0.177,   0.738,  -0.096)  ( -0.177,   0.743,  -0.096)  ( 0.01,  0.36,  0.00)
164:     angle   (  8.417,   3.317,  10.163)  (  8.417,   3.317,  10.163)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  0.382,  -1.272,   0.256)  (  0.382,  -1.272,   0.256)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.882,   0.111,  -0.766)  (  0.882,   0.111,  -0.766)  ( 0.01,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.106,   0.075,   0.091)  (  0.106,   0.075,   0.091)  ( 0.00,  0.00,  0.00)
164:     electro ( -9.620,  -2.911,  -9.600)  ( -9.620,  -2.911,  -9.600)  ( 0.00,  0.00,  0.00)
164: 31       ( -0.560,   0.014,   0.551)  ( -0.085,   0.116,   0.170)  (26.59,  0.14, 20.99)
164:     bond    ( -0.691,  -2.922,  -1.578)  ( -0.691,  -2.915,  -1.576)  ( 0.03,  0.24,  0.13)
164:     angle   (-11.279,   8.740, -11.218)  (-11.279,   8.740, -11.218)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( -0.400,   0.562,  -0.346)  ( -0.400,   0.562,  -0.346)  ( 0.00,  0.01,  0.00)
164:     torsion ( -0.438,  -0.113,   0.402)  ( -0.438,  -0.113,   0.402)  ( 0.00,  0.00,  0.00)
164:     oop     ( -2.089,  -0.433,   1.715)  ( -1.615,  -0.338,   1.332)  (22.71,  4.11, 22.34)
164:     vdw     (  1.193,  -3.724,   0.966)  (  1.193,  -3.724,   0.966)  ( 0.00,  0.00,  0.00)
164:     electro ( 13.145,  -2.096,  10.610)  ( 13.145,  -2.096,  10.610)  ( 0.00,  0.00,  0.00)
164: ok 32 # gradients 
164: ok 33 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z2p_dol.sdf
166:     bond    ( 20.776,   7.319,   0.909)  ( 20.781,   7.324,   0.914)  ( 0.02,  0.06,  0.43)
166:     angle   (-13.754,  -4.812,  -0.102)  (-13.752,  -4.809,  -0.101)  ( 0.01,  0.04,  0.02)
166:     strbnd  ( 12.427,   3.908,   0.157)  ( 12.424,   3.908,   0.156)  ( 0.02,  0.02,  0.01)
166:     torsion ( -0.002,  -0.005,   0.222)  ( -0.002,  -0.005,   0.222)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.001,  -0.001,   0.057)  ( -0.000,  -0.001,   0.042)  ( 0.00,  0.00,  0.09)
166:     vdw     ( -1.953,  -4.180,  -0.065)  ( -1.953,  -4.180,  -0.065)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.796,   1.928,   0.020)  ( -0.796,   1.928,   0.020)  ( 0.00,  0.00,  0.00)
166: 13       (-13.749,  -4.822,   1.563)  (-13.744,  -4.816,   1.558)  ( 0.03,  0.14,  0.30)
166:     bond    (-22.923,  -0.335,   0.145)  (-22.919,  -0.330,   0.150)  ( 0.02,  0.16,  0.07)
166:     angle   (  7.410,   2.850,  -0.382)  (  7.411,   2.852,  -0.380)  ( 0.03,  0.07,  0.06)
166:     strbnd  (  0.558,  -0.831,  -0.003)  (  0.557,  -0.831,  -0.003)  ( 0.07,  0.03,  0.00)
166:     torsion (  0.058,  -4.145,   1.734)  (  0.058,  -4.145,   1.735)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.001,   0.000,   0.059)  (  0.001,   0.000,   0.049)  ( 0.00,  0.00,  0.06)
166:     vdw     (  6.098,  -3.967,   0.005)  (  6.098,  -3.967,   0.005)  ( 0.00,  0.00,  0.00)
166:     electro ( -4.950,   1.606,   0.003)  ( -4.950,   1.606,   0.003)  ( 0.00,  0.00,  0.00)
166: 14       (  9.601, -11.203,   4.735)  (  9.607, -11.198,   4.730)  ( 0.06,  0.04,  0.10)
166:     bond    ( 11.197, -20.692,  -0.065)  ( 11.201, -20.688,  -0.061)  ( 0.04,  0.02,  0.03)
166:     angle   ( -3.458,   7.005,  -0.620)  ( -3.456,   7.007,  -0.619)  ( 0.06,  0.03,  0.09)
166:     strbnd  (  0.022,   0.227,   0.010)  (  0.021,   0.226,   0.009)  ( 0.00,  0.02,  0.00)
166:     torsion (  2.428,   1.397,   5.331)  (  2.428,   1.397,   5.331)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,   0.001,   0.069)  ( -0.000,   0.001,   0.058)  ( 0.00,  0.00,  0.07)
166:     vdw     ( -4.679,   7.355,  -0.008)  ( -4.679,   7.355,  -0.008)  ( 0.00,  0.00,  0.00)
166:     electro (  4.091,  -6.495,   0.019)  (  4.091,  -6.495,   0.019)  ( 0.00,  0.00,  0.00)
166: 15       ( -0.465,   5.538,   0.483)  ( -0.465,   5.543,   0.432)  ( 0.04,  0.09,  2.45)
166:     bond    ( -0.036,   7.926,   0.175)  ( -0.036,   7.930,   0.175)  ( 0.00,  0.05,  0.00)
166:     angle   ( -5.802,  -0.026,  -0.014)  ( -5.802,  -0.026,  -0.014)  ( 0.01,  0.00,  0.00)
166:     strbnd  (  3.604,  -0.129,  -0.013)  (  3.604,  -0.129,  -0.013)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.001,  -0.003,   0.136)  (  0.001,  -0.003,   0.136)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.000,  -0.005,   0.223)  (  0.000,  -0.004,   0.172)  ( 0.00,  0.00,  1.13)
166:     vdw     (  1.248,  -1.217,  -0.011)  (  1.248,  -1.217,  -0.011)  ( 0.00,  0.00,  0.00)
166:     electro (  0.520,  -1.008,  -0.012)  (  0.520,  -1.008,  -0.012)  ( 0.00,  0.00,  0.00)
166: 16       (  3.795,  -2.075,  -0.170)  (  3.796,  -2.072,  -0.169)  ( 0.02,  0.17,  0.01)
166:     bond    ( -0.033,  -1.994,  -0.084)  ( -0.033,  -1.991,  -0.084)  ( 0.00,  0.17,  0.00)
166:     angle   (  5.569,  -0.090,  -0.056)  (  5.570,  -0.090,  -0.056)  ( 0.01,  0.00,  0.00)
166:     strbnd  (  2.049,   1.116,   0.067)  (  2.049,   1.116,   0.067)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.000,   0.000,  -0.009)  (  0.000,   0.000,  -0.009)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.791,  -1.108,  -0.087)  ( -3.791,  -1.108,  -0.087)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 17       (  3.734,   1.697,   3.317)  (  3.735,   1.697,   3.320)  ( 0.03,  0.05,  0.08)
166:     bond    ( -0.653,   0.424,   1.150)  ( -0.653,   0.424,   1.152)  ( 0.05,  0.01,  0.21)
166:     angle   (  4.116,   2.173,   1.530)  (  4.116,   2.174,   1.530)  ( 0.01,  0.02,  0.01)
166:     strbnd  (  2.185,   0.599,  -0.219)  (  2.185,   0.599,  -0.219)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.003,  -0.008,   0.004)  (  0.003,  -0.008,   0.004)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.916,  -1.492,   0.852)  ( -1.916,  -1.492,   0.852)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 18       (  3.357,   1.877,  -3.735)  (  3.358,   1.877,  -3.733)  ( 0.04,  0.05,  0.07)
166:     bond    ( -0.951,   0.766,  -1.640)  ( -0.950,   0.766,  -1.638)  ( 0.07,  0.04,  0.14)
166:     angle   (  4.217,   2.283,  -1.378)  (  4.217,   2.284,  -1.377)  ( 0.01,  0.02,  0.01)
166:     strbnd  (  2.195,   0.574,   0.319)  (  2.195,   0.574,   0.319)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.003,   0.007,   0.005)  ( -0.003,   0.007,   0.005)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.102,  -1.754,  -1.042)  ( -2.101,  -1.754,  -1.042)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 19       ( -0.949,   1.850,  -2.966)  ( -0.948,   1.851,  -2.963)  ( 0.08,  0.03,  0.10)
166:     bond    (  0.687,   0.547,  -1.969)  (  0.688,   0.547,  -1.967)  ( 0.02,  0.01,  0.15)
166:     angle   ( -2.117,   0.190,  -0.687)  ( -2.116,   0.190,  -0.687)  ( 0.02,  0.01,  0.01)
166:     strbnd  ( -1.351,  -0.031,   0.069)  ( -1.351,  -0.031,   0.069)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.009,   1.445,   0.399)  ( -0.009,   1.445,   0.399)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.840,  -0.300,  -0.777)  (  1.840,  -0.300,  -0.777)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 20       (  3.215,  -1.417,   1.360)  (  3.216,  -1.414,   1.361)  ( 0.03,  0.21,  0.04)
166:     bond    (  0.757,  -1.956,   0.504)  (  0.757,  -1.953,   0.504)  ( 0.03,  0.15,  0.01)
166:     angle   ( -2.944,  -1.085,   0.217)  ( -2.943,  -1.085,   0.218)  ( 0.02,  0.01,  0.01)
166:     strbnd  ( -1.362,   0.055,  -0.006)  ( -1.362,   0.055,  -0.006)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.012,  -0.046)  ( -0.000,  -0.012,  -0.046)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  6.765,   1.580,   0.691)  (  6.765,   1.580,   0.691)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 21       (  1.306,   2.523,   1.573)  (  1.307,   2.525,   1.575)  ( 0.07,  0.07,  0.12)
166:     bond    (  0.773,   1.536,   1.536)  (  0.773,   1.538,   1.538)  ( 0.03,  0.10,  0.10)
166:     angle   ( -2.380,   0.642,   0.554)  ( -2.380,   0.642,   0.554)  ( 0.02,  0.02,  0.01)
166:     strbnd  ( -1.349,  -0.045,  -0.017)  ( -1.349,  -0.045,  -0.017)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.038,   1.895,  -1.876)  ( -0.038,   1.895,  -1.876)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.301,  -1.506,   1.375)  (  4.301,  -1.506,   1.375)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 22       ( -3.084,   0.782,   1.224)  ( -3.081,   0.783,   1.225)  ( 0.08,  0.05,  0.13)
166:     bond    ( -1.870,  -0.110,   1.417)  ( -1.868,  -0.110,   1.418)  ( 0.12,  0.00,  0.09)
166:     angle   (  0.520,  -2.593,   0.484)  (  0.520,  -2.593,   0.484)  ( 0.01,  0.02,  0.01)
166:     strbnd  (  0.654,  -1.205,   0.011)  (  0.654,  -1.205,   0.011)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.641,  -0.927,  -2.234)  ( -1.641,  -0.927,  -2.234)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.746,   5.617,   1.547)  ( -0.746,   5.617,   1.547)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 23       ( -2.117,   4.656,   0.658)  ( -2.116,   4.658,   0.658)  ( 0.09,  0.05,  0.05)
166:     bond    (  1.483,   1.776,   0.765)  (  1.485,   1.778,   0.766)  ( 0.09,  0.10,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z2w_770.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z3h_blo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z3i_bls.sdf
163:     vdw     (  0.309,   2.550,  -1.323)  (  0.309,   2.550,  -1.323)  ( 0.00,  0.00,  0.00)
163:     electro ( -1.443,  -1.778,   0.516)  ( -1.443,  -1.778,   0.516)  ( 0.00,  0.00,  0.00)
163: 16       (109.581, 246.406, -35.465)  (109.607, 246.412, -35.461)  ( 0.02,  0.00,  0.01)
163:     bond    ( 69.487, -11.705,  -1.559)  ( 69.514, -11.704,  -1.559)  ( 0.04,  0.01,  0.02)
163:     angle   ( 43.423, 262.571, -35.069)  ( 43.423, 262.575, -35.066)  ( 0.00,  0.00,  0.01)
163:     torsion (  0.063,   0.120,   1.925)  (  0.063,   0.120,   1.925)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -3.393,  -4.580,  -0.761)  ( -3.393,  -4.579,  -0.761)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 17       (174.960, 176.025, -89.335)  (174.964, 176.039, -89.318)  ( 0.00,  0.01,  0.02)
163:     bond    (  0.067,  39.118,  41.485)  (  0.067,  39.131,  41.500)  ( 0.00,  0.03,  0.04)
163:     angle   (176.327, 138.802, -131.168)  (176.330, 138.803, -131.165)  ( 0.00,  0.00,  0.00)
163:     torsion ( -0.772,   0.580,  -0.545)  ( -0.772,   0.580,  -0.545)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -0.661,  -2.475,   0.894)  ( -0.661,  -2.474,   0.894)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 18       (251.139, 191.328, 100.736)  (251.143, 191.342, 100.754)  ( 0.00,  0.01,  0.02)
163:     bond    (  2.181,  42.689, -46.478)  (  2.182,  42.701, -46.463)  ( 0.01,  0.03,  0.03)
163:     angle   (253.610, 151.426, 151.075)  (253.614, 151.427, 151.078)  ( 0.00,  0.00,  0.00)
163:     torsion (  1.057,  -0.932,  -0.807)  (  1.057,  -0.932,  -0.807)  ( 0.01,  0.01,  0.00)
163:     vdw     ( -5.709,  -1.855,  -3.054)  ( -5.709,  -1.855,  -3.054)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 19       ( 33.317,  57.884,  90.759)  ( 33.324,  57.892,  90.779)  ( 0.02,  0.01,  0.02)
163:     bond    ( 24.015, -31.052,  60.780)  ( 24.018, -31.047,  60.800)  ( 0.01,  0.02,  0.03)
163:     angle   ( 17.910,  79.100,  33.317)  ( 17.912,  79.103,  33.317)  ( 0.01,  0.00,  0.00)
163:     torsion (  2.826,  -0.063,  -1.148)  (  2.826,  -0.063,  -1.148)  ( 0.01,  0.00,  0.01)
163:     vdw     (-11.433,   9.899,  -2.189)  (-11.432,   9.899,  -2.189)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 20       (112.100,  65.862,  54.803)  (112.104,  65.873,  54.824)  ( 0.00,  0.02,  0.04)
163:     bond    (  1.245,  49.479,  76.160)  (  1.245,  49.487,  76.180)  ( 0.03,  0.02,  0.03)
163:     angle   (100.726,  19.307, -14.190)  (100.729,  19.309, -14.189)  ( 0.00,  0.01,  0.01)
163:     torsion (  1.154,   1.529,  -1.012)  (  1.154,   1.529,  -1.012)  ( 0.00,  0.01,  0.00)
163:     vdw     (  8.974,  -4.452,  -6.155)  (  8.975,  -4.452,  -6.155)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 21       (-71.223, -54.362, -54.764)  (-71.217, -54.338, -54.760)  ( 0.01,  0.04,  0.01)
163:     bond    (-26.461, -65.057,  11.205)  (-26.457, -65.034,  11.206)  ( 0.02,  0.04,  0.01)
163:     angle   (-46.537,   7.124, -68.522)  (-46.535,   7.124, -68.519)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.326,   0.906,   4.487)  ( -0.326,   0.906,   4.487)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.100,   2.666,  -1.934)  (  2.101,   2.666,  -1.934)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 22       (-68.853, -136.453, -261.776)  (-68.828, -136.448, -261.770)  ( 0.04,  0.00,  0.00)
163:     bond    ( 54.419, -15.692, -19.606)  ( 54.442, -15.690, -19.603)  ( 0.04,  0.01,  0.02)
163:     angle   (-123.941, -124.844, -244.293)  (-123.939, -124.841, -244.290)  ( 0.00,  0.00,  0.00)
163:     torsion (  0.075,   0.834,  -0.459)  (  0.075,   0.834,  -0.459)  ( 0.00,  0.01,  0.00)
163:     vdw     (  0.594,   3.249,   2.581)  (  0.594,   3.249,   2.582)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 23       ( 75.683, -117.846, -173.470)  ( 75.689, -117.836, -173.450)  ( 0.01,  0.01,  0.01)
163:     bond    (-20.746,  33.175, -62.178)  (-20.744,  33.181, -62.158)  ( 0.01,  0.02,  0.03)
163:     angle   ( 97.257, -154.243, -114.792)  ( 97.260, -154.239, -114.792)  ( 0.00,  0.00,  0.00)
163:     torsion ( -0.481,  -0.245,   0.030)  ( -0.481,  -0.245,   0.030)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -0.346,   3.467,   3.470)  ( -0.346,   3.467,   3.470)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 24       (105.149, -66.430, -206.326)  (105.157, -66.407, -206.322)  ( 0.01,  0.03,  0.00)
163:     bond    (-19.670, -43.647,  -7.176)  (-19.665, -43.624,  -7.175)  ( 0.02,  0.05,  0.01)
163:     angle   (126.570, -23.893, -201.648)  (126.573, -23.893, -201.644)  ( 0.00,  0.00,  0.00)
163:     torsion (  0.145,  -0.078,   0.078)  (  0.145,  -0.078,   0.078)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -1.896,   1.189,   2.419)  ( -1.896,   1.189,   2.419)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 25       (-44.220,  12.148,  -7.731)  (-44.210,  12.167,  -7.724)  ( 0.02,  0.16,  0.08)
163:     bond    ( -3.943,  -6.899,   3.822)  ( -3.937,  -6.881,   3.827)  ( 0.15,  0.26,  0.14)
163:     angle   (-38.340,  11.268, -19.179)  (-38.337,  11.269, -19.179)  ( 0.01,  0.01,  0.00)
163:     torsion ( -2.978,   6.930,   9.397)  ( -2.978,   6.930,   9.397)  ( 0.00,  0.00,  0.00)
163:     vdw     (  1.663,   0.445,  -1.262)  (  1.663,   0.445,  -1.262)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.622,   0.404,  -0.508)  ( -0.622,   0.404,  -0.508)  ( 0.00,  0.00,  0.00)
163: 26       ( 18.457, -48.202,   0.427)  ( 18.480, -48.196,   0.433)  ( 0.12,  0.01,  0.25)
163:     bond    (  3.862,   0.983,   1.869)  (  3.884,   0.985,   1.875)  ( 0.58,  0.14,  0.28)
163:     angle   ( -7.815, -37.552,  35.916)  ( -7.815, -37.548,  35.917)  ( 0.00,  0.01,  0.00)
163:     torsion ( 20.997,  -8.192, -39.206)  ( 20.997,  -8.192, -39.206)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.854,  -2.630,   1.421)  (  0.854,  -2.630,   1.421)  ( 0.00,  0.00,  0.00)
163:     electro (  0.559,  -0.810,   0.426)  (  0.559,  -0.810,   0.426)  ( 0.00,  0.00,  0.00)
163: 27       (-29.738,  40.590,   5.549)  (-29.733,  40.591,   5.577)  ( 0.02,  0.00,  0.50)
163:     bond    ( -1.957,   0.297,  -8.240)  ( -1.955,   0.297,  -8.213)  ( 0.08,  0.00,  0.33)
163:     angle   (-21.621,  52.996,   7.064)  (-21.618,  52.998,   7.064)  ( 0.01,  0.00,  0.00)
163:     torsion (-11.269, -11.104,   2.280)  (-11.269, -11.104,   2.281)  ( 0.00,  0.00,  0.00)
163:     vdw     (  3.798,  -0.733,   3.981)  (  3.798,  -0.733,   3.981)  ( 0.00,  0.00,  0.00)
163:     electro (  1.311,  -0.867,   0.464)  (  1.311,  -0.867,   0.464)  ( 0.00,  0.00,  0.00)
163: 28       (-136.891, 245.087, -127.495)  (-136.870, 245.092, -127.486)  ( 0.02,  0.00,  0.01)
163:     bond    ( -4.603,  -0.834,   3.102)  ( -4.584,  -0.834,   3.111)  ( 0.42,  0.05,  0.29)
163:     angle   (-130.627, 233.442, -129.868)  (-130.626, 233.446, -129.868)  ( 0.00,  0.00,  0.00)
163:     torsion ( -3.357,  13.709,  -1.271)  ( -3.357,  13.709,  -1.271)  ( 0.00,  0.00,  0.01)
163:     vdw     (  2.285,  -1.520,   1.199)  (  2.285,  -1.520,   1.199)  ( 0.01,  0.01,  0.01)
163:     electro ( -0.589,   0.290,  -0.657)  ( -0.589,   0.290,  -0.657)  ( 0.00,  0.00,  0.00)
163: 29       ( 62.680,  48.907,  79.728)  ( 62.701,  48.917,  79.731)  ( 0.03,  0.02,  0.00)
163:     bond    ( 82.859,  48.522,  11.969)  ( 82.880,  48.529,  11.970)  ( 0.02,  0.02,  0.01)
163:     angle   (-15.838,   8.500,  75.187)  (-15.837,   8.502,  75.190)  ( 0.01,  0.03,  0.00)
163:     torsion (  1.056,  -1.007,  -3.232)  (  1.056,  -1.007,  -3.232)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -5.397,  -7.108,  -4.197)  ( -5.397,  -7.108,  -4.197)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 30       (-75.889,  12.904, 204.837)  (-75.885,  12.931, 204.841)  ( 0.01,  0.21,  0.00)
163:     bond    ( -7.796,  60.835,  11.399)  ( -7.795,  60.862,  11.401)  ( 0.01,  0.04,  0.01)
163:     angle   (-73.100, -46.077, 195.991)  (-73.097, -46.076, 195.995)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z3y_f2n.sdf
164:  1       ( -0.009,   0.002,  -0.005)  ( -0.001,   0.005,   0.001)  ( 0.01,  0.00,  0.00)
164:     bond    (  9.838,  -1.834,   0.007)  (  9.844,  -1.832,   0.011)  ( 0.07,  0.10,  0.00)
164:     angle   (  6.646,  -1.255,  -0.018)  (  6.648,  -1.254,  -0.017)  ( 0.03,  0.05,  0.00)
164:     strbnd  ( -3.095,   0.579,   0.001)  ( -3.095,   0.579,   0.001)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.001,   0.001,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     (-12.705,   2.379,   0.009)  (-12.705,   2.379,   0.009)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.694,   0.130,   0.001)  ( -0.694,   0.130,   0.001)  ( 0.00,  0.00,  0.00)
164:  2       ( -0.094,  -0.071,  -0.108)  ( -0.084,  -0.054,  -0.110)  ( 0.09,  0.12,  0.02)
164:     bond    ( 15.243,  -7.110,  -6.312)  ( 15.248,  -7.108,  -6.308)  ( 0.04,  0.03,  0.07)
164:     angle   ( -4.881,  -0.262,  -1.754)  ( -4.879,  -0.261,  -1.753)  ( 0.04,  0.02,  0.09)
164:     strbnd  ( -1.609,   1.725,   2.154)  ( -1.609,   1.725,   2.154)  ( 0.01,  0.00,  0.01)
164:     torsion (  0.015,   0.078,  -0.054)  (  0.015,   0.079,  -0.054)  ( 0.00,  0.01,  0.00)
164:     oop     ( -0.015,  -0.078,   0.052)  ( -0.012,  -0.066,   0.044)  ( 0.00,  0.10,  0.04)
164:     vdw     ( -8.822,   6.095,   6.582)  ( -8.822,   6.095,   6.582)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.025,  -0.518,  -0.776)  ( -0.025,  -0.518,  -0.776)  ( 0.00,  0.00,  0.00)
164:  3       (  0.182,  -0.012,  -0.057)  (  0.183,  -0.039,  -0.032)  ( 0.02,  0.03,  0.15)
164:     bond    (  0.609,  -8.879, -13.408)  (  0.614,  -8.877, -13.405)  ( 0.30,  0.02,  0.03)
164:     angle   ( -7.772,   3.135,   2.969)  ( -7.770,   3.136,   2.970)  ( 0.02,  0.03,  0.05)
164:     strbnd  (  2.453,  -0.620,  -0.234)  (  2.453,  -0.620,  -0.235)  ( 0.01,  0.01,  0.01)
164:     torsion ( -0.243,   0.162,   0.098)  ( -0.243,   0.163,   0.098)  ( 0.00,  0.01,  0.00)
164:     oop     (  0.034,   0.181,  -0.121)  (  0.028,   0.151,  -0.101)  ( 0.02,  0.55,  0.25)
164:     vdw     (  4.751,   6.373,  11.116)  (  4.751,   6.373,  11.116)  ( 0.00,  0.00,  0.00)
164:     electro (  0.350,  -0.364,  -0.476)  (  0.350,  -0.364,  -0.476)  ( 0.00,  0.00,  0.00)
164:  4       ( -0.195,   0.032,   0.015)  ( -0.188,   0.037,   0.020)  ( 0.13,  0.02,  0.01)
164:     bond    ( -7.919,   1.496,   0.029)  ( -7.915,   1.498,   0.032)  ( 0.06,  0.11,  0.01)
164:     angle   (  7.321,  -1.377,  -0.013)  (  7.323,  -1.376,  -0.012)  ( 0.03,  0.07,  0.00)
164:     strbnd  ( -7.154,   1.339,   0.000)  ( -7.155,   1.339,   0.000)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.002,  -0.005,   0.001)  ( -0.002,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.001,  -0.007,   0.004)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
164:     vdw     (  7.561,  -1.415,  -0.006)  (  7.562,  -1.415,  -0.006)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  5       (  0.098,  -0.057,  -0.028)  (  0.109,  -0.026,  -0.041)  ( 0.11,  0.18,  0.04)
164:     bond    (  3.740,   8.034,  13.340)  (  3.745,   8.036,  13.343)  ( 0.13,  0.02,  0.03)
164:     angle   ( -8.410,  -0.116,  -2.962)  ( -8.408,  -0.115,  -2.960)  ( 0.02,  0.01,  0.05)
164:     strbnd  (  2.516,  -0.308,   0.233)  (  2.515,  -0.309,   0.233)  ( 0.01,  0.00,  0.01)
164:     torsion ( -0.284,  -0.056,  -0.104)  ( -0.284,  -0.055,  -0.103)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.031,  -0.165,   0.109)  ( -0.025,  -0.137,   0.091)  ( 0.02,  0.46,  0.20)
164:     vdw     (  2.108,  -7.659, -11.120)  (  2.108,  -7.659, -11.120)  ( 0.00,  0.00,  0.00)
164:     electro (  0.459,   0.213,   0.476)  (  0.459,   0.213,   0.476)  ( 0.00,  0.00,  0.00)
164:  6       ( -0.017,   0.039,   0.055)  ( -0.012,   0.031,   0.069)  ( 0.01,  0.03,  0.08)
164:     bond    ( 16.822,   1.066,   6.232)  ( 16.827,   1.068,   6.236)  ( 0.03,  0.19,  0.07)
164:     angle   ( -4.438,   2.007,   1.762)  ( -4.436,   2.007,   1.763)  ( 0.05,  0.03,  0.09)
164:     strbnd  ( -2.127,  -1.024,  -2.150)  ( -2.127,  -1.024,  -2.150)  ( 0.01,  0.00,  0.01)
164:     torsion ( -0.016,  -0.084,   0.056)  ( -0.016,  -0.083,   0.056)  ( 0.00,  0.01,  0.00)
164:     oop     (  0.013,   0.071,  -0.048)  (  0.011,   0.060,  -0.040)  ( 0.00,  0.08,  0.04)
164:     vdw     (-10.436,  -2.488,  -6.572)  (-10.436,  -2.488,  -6.572)  ( 0.00,  0.00,  0.00)
164:     electro (  0.165,   0.492,   0.776)  (  0.165,   0.492,   0.776)  ( 0.00,  0.00,  0.00)
164:  7       (  0.083,   0.029,  -0.027)  (  0.090,   0.034,  -0.024)  ( 0.06,  0.02,  0.01)
164:     bond    ( -5.715,   1.120,  -0.030)  ( -5.710,   1.124,  -0.028)  ( 0.08,  0.35,  0.00)
164:     angle   ( -3.925,   0.733,   0.006)  ( -3.923,   0.734,   0.007)  ( 0.05,  0.10,  0.00)
164:     strbnd  ( 10.212,  -1.917,  -0.002)  ( 10.212,  -1.917,  -0.002)  ( 0.00,  0.01,  0.00)
164:     torsion ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.489,   0.094,  -0.002)  ( -0.488,   0.094,  -0.002)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:  8       ( -0.096,   0.024,  -0.020)  ( -0.089,   0.030,  -0.017)  ( 0.07,  0.01,  0.01)
164:     bond    ( -3.483, -12.638,   7.907)  ( -3.478, -12.633,   7.908)  ( 0.16,  0.03,  0.02)
164:     angle   (  3.798,   0.832,  -0.921)  (  3.800,   0.834,  -0.921)  ( 0.04,  0.11,  0.04)
164:     strbnd  (  1.060,  -1.300,   0.656)  (  1.060,  -1.300,   0.656)  ( 0.02,  0.01,  0.00)
164:     torsion (  0.019,   0.099,   0.166)  (  0.019,   0.099,   0.167)  ( 0.00,  0.00,  0.02)
164:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.505,  14.542,  -8.739)  ( -1.505,  14.542,  -8.739)  ( 0.01,  0.00,  0.00)
164:     electro (  0.016,  -1.510,   0.914)  (  0.016,  -1.510,   0.914)  ( 0.00,  0.00,  0.00)
164:  9       ( -0.010,  -0.087,   0.031)  ( -0.003,  -0.081,   0.034)  ( 0.01,  0.05,  0.01)
164:     bond    ( -2.492,  -7.482,   4.725)  ( -2.486,  -7.478,   4.727)  ( 0.23,  0.05,  0.03)
164:     angle   ( -4.105,  -3.933,   2.798)  ( -4.103,  -3.931,   2.798)  ( 0.04,  0.03,  0.02)
164:     strbnd  ( -4.222,   0.031,   0.453)  ( -4.222,   0.031,   0.453)  ( 0.01,  0.00,  0.00)
164:     torsion ( -0.000,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 10.835,  10.954,  -7.728)  ( 10.835,  10.954,  -7.728)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.025,   0.347,  -0.209)  ( -0.025,   0.347,  -0.209)  ( 0.00,  0.00,  0.00)
164: 10       ( -0.018,  -0.003,   0.005)  ( -0.014,   0.002,   0.008)  ( 0.01,  0.00,  0.00)
164:     bond    (-13.181,   2.472,   0.003)  (-13.178,   2.476,   0.004)  ( 0.02,  0.16,  0.00)
164:     angle   (  8.282,  -1.555,  -0.003)  (  8.284,  -1.555,  -0.003)  ( 0.02,  0.02,  0.00)
164:     strbnd  (  0.147,  -0.037,   0.005)  (  0.147,  -0.037,   0.006)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     (  8.264,  -1.546,  -0.006)  (  8.265,  -1.546,  -0.006)  ( 0.00,  0.00,  0.00)
164:     electro ( -3.532,   0.661,   0.003)  ( -3.532,   0.661,   0.003)  ( 0.00,  0.00,  0.00)
164: 11       ( -0.084,   0.070,  -0.048)  ( -0.077,   0.076,  -0.045)  ( 0.06,  0.04,  0.02)
164:     bond    (  0.276,   7.851,  -4.706)  (  0.282,   7.855,  -4.705)  ( 0.16,  0.05,  0.03)
164:     angle   ( -2.425,   5.161,  -2.800)  ( -2.424,   5.163,  -2.800)  ( 0.07,  0.03,  0.02)
164:     strbnd  ( -3.937,   1.510,  -0.456)  ( -3.938,   1.510,  -0.456)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
164:     vdw     (  6.153, -14.132,   7.716)  (  6.153, -14.132,   7.716)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.149,  -0.315,   0.209)  ( -0.149,  -0.315,   0.209)  ( 0.00,  0.00,  0.00)
164: 12       (  0.047,  -0.083,   0.059)  (  0.054,  -0.077,   0.061)  ( 0.03,  0.04,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z4b_dc8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z4w_749.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z4x_252.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z4z_sc0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z50_028.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z52_h23.sdf
164:     bond    (  1.440,  12.965,  -7.881)  (  1.446,  12.969,  -7.880)  ( 0.38,  0.03,  0.02)
164:     angle   (  3.262,  -2.172,   0.925)  (  3.264,  -2.171,   0.925)  ( 0.05,  0.06,  0.04)
164:     strbnd  (  1.447,   0.834,  -0.660)  (  1.447,   0.834,  -0.660)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.018,  -0.096,  -0.161)  ( -0.018,  -0.095,  -0.160)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -6.645, -13.018,   8.747)  ( -6.645, -13.018,   8.747)  ( 0.00,  0.00,  0.00)
164:     electro (  0.560,   1.403,  -0.914)  (  0.560,   1.402,  -0.914)  ( 0.00,  0.00,  0.00)
164: 13       (  0.014,   0.029,  -0.012)  (  0.016,   0.031,  -0.010)  ( 0.00,  0.01,  0.00)
164:     bond    (  0.532,   0.585,  -0.410)  (  0.533,   0.587,  -0.409)  ( 0.07,  0.10,  0.03)
164:     angle   ( -1.375,   0.959,  -0.417)  ( -1.375,   0.959,  -0.417)  ( 0.03,  0.02,  0.00)
164:     strbnd  ( -0.291,   0.302,  -0.147)  ( -0.291,   0.302,  -0.147)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.002,  -0.013,  -0.021)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.001,  -0.001)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.782,  -2.146,   1.210)  (  0.782,  -2.146,   1.210)  ( 0.00,  0.00,  0.00)
164:     electro (  0.369,   0.342,  -0.225)  (  0.369,   0.342,  -0.225)  ( 0.00,  0.00,  0.00)
164: 14       (  0.014,  -0.025,   0.027)  (  0.015,  -0.022,   0.028)  ( 0.00,  0.01,  0.00)
164:     bond    ( -0.713,   1.410,  -0.761)  ( -0.713,   1.412,  -0.760)  ( 0.04,  0.17,  0.05)
164:     angle   ( -1.054,  -0.355,   0.329)  ( -1.053,  -0.355,   0.329)  ( 0.06,  0.00,  0.00)
164:     strbnd  (  0.385,   0.200,  -0.162)  (  0.385,   0.200,  -0.162)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.001,   0.005,   0.009)  (  0.001,   0.006,   0.009)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.575,  -0.404,   0.175)  (  0.575,  -0.404,   0.175)  ( 0.00,  0.00,  0.00)
164:     electro (  0.821,  -0.881,   0.436)  (  0.821,  -0.881,   0.436)  ( 0.00,  0.00,  0.00)
164: 15       ( -0.046,  -0.018,   0.011)  ( -0.038,  -0.002,   0.010)  ( 0.03,  0.03,  0.00)
164:     bond    ( -7.125,  -4.896,  -9.263)  ( -7.121,  -4.892,  -9.259)  ( 0.06,  0.09,  0.05)
164:     angle   (  6.393,   2.270,   5.666)  (  6.394,   2.272,   5.667)  ( 0.03,  0.07,  0.03)
164:     strbnd  (  0.273,  -0.725,  -1.181)  (  0.272,  -0.726,  -1.182)  ( 0.02,  0.04,  0.08)
164:     torsion (  1.289,  -0.354,  -0.774)  (  1.289,  -0.353,  -0.774)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.010,  -0.056,   0.038)  ( -0.009,  -0.047,   0.031)  ( 0.00,  0.05,  0.02)
164:     vdw     ( -0.361,   3.610,   5.432)  ( -0.361,   3.610,   5.432)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.503,   0.134,   0.095)  ( -0.503,   0.134,   0.095)  ( 0.00,  0.00,  0.00)
164: 16       (  0.036,  -0.004,   0.009)  (  0.041,  -0.003,   0.010)  ( 0.02,  0.00,  0.00)
164:     bond    ( -1.105,   0.206,   0.001)  ( -1.100,   0.206,   0.001)  ( 0.41,  0.00,  0.00)
164:     angle   (  0.001,   0.005,   0.007)  (  0.001,   0.005,   0.007)  ( 0.00,  0.00,  0.00)
164:     strbnd  (  3.048,  -0.570,  -0.001)  (  3.048,  -0.570,  -0.001)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.498,   0.093,   0.000)  ( -0.498,   0.093,   0.001)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.410,   0.264,   0.001)  ( -1.410,   0.264,   0.001)  ( 0.00,  0.00,  0.00)
164: 17       ( -0.037,   0.047,   0.071)  ( -0.035,   0.047,   0.074)  ( 0.01,  0.00,  0.02)
164:     bond    ( -0.132,   0.174,   0.223)  ( -0.131,   0.175,   0.225)  ( 0.01,  0.03,  0.05)
164:     angle   (  1.479,   0.192,   0.711)  (  1.480,   0.192,   0.711)  ( 0.05,  0.00,  0.01)
164:     strbnd  (  1.315,  -1.062,  -1.217)  (  1.315,  -1.062,  -1.217)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.011,  -0.057,   0.038)  ( -0.011,  -0.057,   0.038)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.001,   0.006,  -0.004)  (  0.001,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -4.211,   0.450,  -0.614)  ( -4.210,   0.450,  -0.614)  ( 0.00,  0.00,  0.00)
164:     electro (  1.521,   0.344,   0.934)  (  1.521,   0.344,   0.934)  ( 0.00,  0.00,  0.00)
164: 18       ( -0.041,   0.022,   0.048)  ( -0.037,   0.019,   0.060)  ( 0.02,  0.01,  0.05)
164:     bond    ( -4.885,   7.159,   9.319)  ( -4.880,   7.163,   9.323)  ( 0.09,  0.06,  0.05)
164:     angle   (  5.152,  -4.463,  -5.651)  (  5.154,  -4.462,  -5.649)  ( 0.04,  0.03,  0.03)
164:     strbnd  (  0.516,   0.583,   1.171)  (  0.515,   0.582,   1.170)  ( 0.03,  0.04,  0.08)
164:     torsion (  1.334,  -0.130,   0.768)  (  1.334,  -0.130,   0.768)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.010,   0.051,  -0.034)  (  0.008,   0.042,  -0.028)  ( 0.00,  0.04,  0.02)
164:     vdw     ( -1.650,  -3.234,  -5.431)  ( -1.650,  -3.234,  -5.431)  ( 0.01,  0.00,  0.00)
164:     electro ( -0.518,   0.057,  -0.094)  ( -0.518,   0.057,  -0.094)  ( 0.00,  0.00,  0.00)
164: 19       ( -0.026,  -0.013,  -0.044)  ( -0.024,  -0.011,  -0.042)  ( 0.01,  0.00,  0.01)
164:     bond    ( -0.161,  -0.100,  -0.195)  ( -0.159,  -0.099,  -0.193)  ( 0.03,  0.01,  0.05)
164:     angle   (  1.304,  -0.712,  -0.711)  (  1.305,  -0.712,  -0.711)  ( 0.04,  0.01,  0.01)
164:     strbnd  (  1.615,   0.513,   1.214)  (  1.615,   0.513,   1.214)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.011,   0.057,  -0.038)  (  0.011,   0.058,  -0.038)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.001,  -0.006,   0.004)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -4.086,   1.106,   0.619)  ( -4.086,   1.106,   0.619)  ( 0.00,  0.00,  0.00)
164:     electro (  1.292,  -0.870,  -0.936)  (  1.292,  -0.870,  -0.936)  ( 0.00,  0.00,  0.00)
164: 20       (  0.018,  -0.043,   0.008)  (  0.019,  -0.041,   0.009)  ( 0.00,  0.01,  0.00)
164:     bond    (  0.288,  -0.750,   0.412)  (  0.289,  -0.747,   0.413)  ( 0.01,  0.20,  0.03)
164:     angle   ( -1.609,  -0.393,   0.414)  ( -1.608,  -0.393,   0.414)  ( 0.04,  0.00,  0.00)
164:     strbnd  ( -0.388,  -0.178,   0.149)  ( -0.388,  -0.178,   0.149)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.002,   0.011,   0.019)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.503,   1.719,  -1.212)  (  1.503,   1.719,  -1.212)  ( 0.00,  0.00,  0.00)
164:     electro (  0.221,  -0.453,   0.225)  (  0.221,  -0.453,   0.225)  ( 0.00,  0.00,  0.00)
164: 21       (  0.039,   0.039,  -0.040)  (  0.041,   0.040,  -0.039)  ( 0.01,  0.01,  0.00)
164:     bond    ( -1.156,  -1.042,   0.748)  ( -1.154,  -1.041,   0.749)  ( 0.15,  0.13,  0.05)
164:     angle   ( -0.862,   0.717,  -0.330)  ( -0.861,   0.717,  -0.330)  ( 0.04,  0.02,  0.00)
164:     strbnd  (  0.292,  -0.327,   0.162)  (  0.292,  -0.327,   0.162)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.007)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.682,   0.169,  -0.176)  (  0.682,   0.169,  -0.176)  ( 0.00,  0.00,  0.00)
164:     electro (  1.083,   0.525,  -0.437)  (  1.083,   0.525,  -0.437)  ( 0.00,  0.00,  0.00)
164: 22       ( -0.002,  -0.011,   0.010)  ( -0.001,  -0.009,   0.011)  ( 0.00,  0.00,  0.00)
164:     bond    ( -0.526,   0.784,  -0.542)  ( -0.525,   0.786,  -0.541)  ( 0.04,  0.14,  0.05)
164:     angle   (  1.195,  -1.233,  -2.949)  (  1.195,  -1.233,  -2.949)  ( 0.03,  0.02,  0.01)
164:     strbnd  ( -0.255,  -0.588,  -0.393)  ( -0.255,  -0.588,  -0.393)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.565,  -0.064,   0.455)  ( -0.565,  -0.064,   0.455)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.149,   1.091,   3.440)  (  0.149,   1.091,   3.440)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 23       ( -0.002,  -0.011,   0.000)  ( -0.001,  -0.010,   0.001)  ( 0.00,  0.00,  0.00)
164:     bond    ( -0.710,  -0.703,   0.394)  ( -0.709,  -0.701,   0.395)  ( 0.11,  0.10,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z5u_faj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z60_p3y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z68_til.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 13 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z6q_dcz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z71_pnv.sdf
166:     angle   (  2.624,  -2.307,   0.268)  (  2.625,  -2.307,   0.268)  ( 0.01,  0.01,  0.01)
166:     strbnd  (  0.634,  -1.241,  -0.006)  (  0.634,  -1.242,  -0.006)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.579,   0.295,  -1.806)  (  0.579,   0.295,  -1.806)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -7.437,   6.134,   1.436)  ( -7.437,   6.134,   1.436)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 24       ( -0.478,  -1.559,  -3.030)  ( -0.478,  -1.559,  -3.027)  ( 0.03,  0.04,  0.10)
166:     bond    ( -0.615,   0.404,  -1.895)  ( -0.615,   0.404,  -1.892)  ( 0.02,  0.01,  0.16)
166:     angle   (  0.873,  -1.806,  -0.669)  (  0.873,  -1.806,  -0.669)  ( 0.04,  0.03,  0.01)
166:     strbnd  (  0.665,  -1.206,   0.041)  (  0.665,  -1.206,   0.041)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.889,  -0.485,   0.185)  ( -0.890,  -0.485,   0.185)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.512,   1.534,  -0.692)  ( -0.512,   1.534,  -0.692)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: ok 20 # gradients 
166: ok 21 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z78_h86.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z7h_gg3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z7i_742.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z7k_bgu.sdf
163:     torsion (  2.398,   0.066,   1.288)  (  2.398,   0.066,   1.288)  ( 0.01,  0.00,  0.00)
163:     vdw     (  2.608,  -1.920,  -3.842)  (  2.609,  -1.920,  -3.842)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 31       (-117.716,  90.678, 152.303)  (-117.707,  90.684, 152.325)  ( 0.01,  0.01,  0.01)
163:     bond    ( 27.141, -14.457,  53.610)  ( 27.147, -14.455,  53.631)  ( 0.02,  0.01,  0.04)
163:     angle   (-146.486, 105.766, 102.653)  (-146.482, 105.769, 102.653)  ( 0.00,  0.00,  0.00)
163:     torsion ( -0.366,  -0.637,   0.013)  ( -0.366,  -0.637,   0.013)  ( 0.00,  0.01,  0.00)
163:     vdw     (  1.994,   0.006,  -3.973)  (  1.994,   0.006,  -3.973)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 32       (-50.224,  82.100, 196.063)  (-50.199,  82.107, 196.068)  ( 0.05,  0.01,  0.00)
163:     bond    (-55.346, -19.687,  12.099)  (-55.323, -19.684,  12.101)  ( 0.04,  0.02,  0.01)
163:     angle   (  4.679, 101.096, 185.844)  (  4.679, 101.100, 185.848)  ( 0.01,  0.00,  0.00)
163:     torsion ( -0.331,   0.679,  -0.408)  ( -0.331,   0.679,  -0.408)  ( 0.00,  0.01,  0.00)
163:     vdw     (  0.775,   0.012,  -1.473)  (  0.775,   0.012,  -1.473)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 33       (408.847, -165.313, -419.480)  (408.832, -165.278, -419.494)  ( 0.00,  0.02,  0.00)
163:     bond    ( 49.599, 130.501, -58.048)  ( 49.604, 130.533, -58.041)  ( 0.01,  0.02,  0.01)
163:     angle   (371.322, -295.799, -347.892)  (371.314, -295.795, -347.900)  ( 0.00,  0.00,  0.00)
163:     torsion (-12.248,  -0.841, -12.358)  (-12.260,  -0.841, -12.370)  ( 0.10,  0.00,  0.10)
163:     vdw     ( -1.245,  -1.183,  -0.414)  ( -1.245,  -1.183,  -0.414)  ( 0.00,  0.00,  0.00)
163:     electro (  1.420,   2.008,  -0.769)  (  1.420,   2.008,  -0.769)  ( 0.00,  0.00,  0.00)
163: ok 30 # gradients 
163: ok 31 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       ( 46.073, -53.603,   1.779)  ( 46.121, -53.554,   1.827)  ( 0.11,  0.09,  2.70)
163:     bond    ( 56.033,   2.173,  18.600)  ( 56.070,   2.210,  18.636)  ( 0.06,  1.67,  0.20)
163:     angle   ( -7.353, -49.796,  -8.847)  ( -7.340, -49.783,  -8.836)  ( 0.17,  0.03,  0.13)
163:     torsion (  0.938,   1.611,  -3.622)  (  0.938,   1.611,  -3.621)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -3.546,  -7.591,  -4.351)  ( -3.546,  -7.591,  -4.351)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       (141.043, 179.752, 117.469)  (141.110, 179.826, 117.486)  ( 0.05,  0.04,  0.01)
163:     bond    ( 77.454, 158.423,  80.136)  ( 77.508, 158.488,  80.147)  ( 0.07,  0.04,  0.01)
163:     angle   ( 65.044,  21.210,  39.213)  ( 65.057,  21.218,  39.216)  ( 0.02,  0.04,  0.01)
163:     torsion (  0.130,   0.532,  -2.605)  (  0.131,   0.533,  -2.601)  ( 0.00,  0.02,  0.13)
163:     vdw     ( -1.646,  -0.358,   0.422)  ( -1.646,  -0.358,   0.422)  ( 0.01,  0.00,  0.00)
163:     electro (  0.060,  -0.055,   0.302)  (  0.060,  -0.055,   0.302)  ( 0.00,  0.00,  0.00)
163:  3       ( -8.226, -36.206,  -9.656)  ( -8.220, -36.181,  -9.652)  ( 0.07,  0.07,  0.04)
163:     bond    (-11.345, -33.468,   2.727)  (-11.342, -33.443,   2.727)  ( 0.02,  0.07,  0.00)
163:     angle   (  5.420,  -2.848, -12.376)  (  5.423,  -2.848, -12.372)  ( 0.06,  0.01,  0.03)
163:     torsion (  0.012,  -0.008,  -0.042)  (  0.012,  -0.008,  -0.042)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.313,   0.117,   0.035)  ( -2.313,   0.117,   0.035)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       (-33.035,  14.265,  14.129)  (-33.023,  14.277,  14.141)  ( 0.04,  0.08,  0.09)
163:     bond    (-20.220,  20.248,  21.069)  (-20.211,  20.257,  21.079)  ( 0.04,  0.04,  0.05)
163:     angle   ( 14.957,  14.055,   0.831)  ( 14.959,  14.057,   0.834)  ( 0.01,  0.02,  0.20)
163:     torsion ( -0.004,  -0.021,   0.016)  ( -0.004,  -0.021,   0.016)  ( 0.00,  0.00,  0.00)
163:     vdw     (-27.768, -20.017,  -7.788)  (-27.767, -20.016,  -7.788)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       ( -9.060,   9.846, -36.923)  ( -9.057,   9.853, -36.898)  ( 0.04,  0.06,  0.07)
163:     bond    ( -3.550,  11.947, -36.602)  ( -3.550,  11.950, -36.577)  ( 0.00,  0.02,  0.07)
163:     angle   ( -5.400,  -2.196,  -0.193)  ( -5.397,  -2.193,  -0.193)  ( 0.06,  0.17,  0.01)
163:     torsion ( -0.006,   0.045,   0.015)  ( -0.006,   0.045,   0.015)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.104,   0.051,  -0.143)  ( -0.104,   0.051,  -0.143)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       (-51.563,  32.405,   2.018)  (-51.534,  32.444,   2.022)  ( 0.06,  0.12,  0.19)
163:     bond    (-36.513,  43.141,   9.825)  (-36.486,  43.178,   9.827)  ( 0.07,  0.09,  0.02)
163:     angle   ( -8.815,  -6.178,  -5.581)  ( -8.812,  -6.177,  -5.580)  ( 0.03,  0.02,  0.01)
163:     torsion (  1.264,   1.990,  -4.052)  (  1.264,   1.990,  -4.051)  ( 0.00,  0.01,  0.02)
163:     vdw     ( -7.339,  -7.843,   1.278)  ( -7.339,  -7.842,   1.278)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.160,   1.295,   0.548)  ( -0.160,   1.295,   0.548)  ( 0.00,  0.00,  0.00)
163:  7       ( 18.571, -115.444,  31.887)  ( 18.626, -115.390,  31.906)  ( 0.30,  0.05,  0.06)
163:     bond    (103.923, -105.456,  11.336)  (103.966, -105.413,  11.349)  ( 0.04,  0.04,  0.11)
163:     angle   (-80.727,   4.516, -18.236)  (-80.715,   4.528, -18.234)  ( 0.01,  0.25,  0.01)
163:     torsion ( -7.906, -15.760,  38.484)  ( -7.906, -15.760,  38.488)  ( 0.00,  0.00,  0.01)
163:     vdw     (  3.828,   0.979,   1.088)  (  3.829,   0.979,   1.088)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.547,   0.276,  -0.785)  ( -0.547,   0.276,  -0.785)  ( 0.00,  0.00,  0.00)
163:  8       ( 98.492,  -8.381,  -8.747)  ( 98.510,  -8.365,  -8.743)  ( 0.02,  0.18,  0.04)
163:     bond    ( 57.396, -52.111, -14.395)  ( 57.412, -52.098, -14.394)  ( 0.03,  0.02,  0.01)
163:     angle   ( 15.918,  14.631,  10.536)  ( 15.920,  14.633,  10.537)  ( 0.01,  0.01,  0.01)
163:     torsion (  1.353,   5.680, -15.166)  (  1.353,   5.681, -15.165)  ( 0.00,  0.00,  0.01)
163:     vdw     ( 23.274,  24.518,  10.059)  ( 23.275,  24.518,  10.059)  ( 0.00,  0.00,  0.00)
163:     electro (  0.550,  -1.099,   0.220)  (  0.550,  -1.099,   0.220)  ( 0.00,  0.00,  0.00)
163:  9       (-196.889, -140.673, 168.386)  (-196.834, -140.622, 168.422)  ( 0.03,  0.04,  0.02)
163:     bond    (-117.027, -220.319,  72.628)  (-116.983, -220.279,  72.656)  ( 0.04,  0.02,  0.04)
163:     angle   (-63.685,  98.264, 121.297)  (-63.675,  98.275, 121.304)  ( 0.02,  0.01,  0.01)
163:     torsion (-17.120, -19.452, -26.178)  (-17.120, -19.452, -26.178)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.943,   0.833,   0.640)  (  0.943,   0.833,   0.640)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 10       (232.993, -84.406,   3.415)  (233.034, -84.370,   3.466)  ( 0.02,  0.04,  1.50)
163:     bond    ( 65.211,   0.399, 148.702)  ( 65.240,   0.426, 148.746)  ( 0.04,  1.07,  0.03)
163:     angle   (177.340, -80.008, -125.110)  (177.352, -79.999, -125.103)  ( 0.01,  0.01,  0.01)
163:     torsion (-11.166,  -6.616, -21.328)  (-11.166,  -6.616, -21.328)  ( 0.00,  0.00,  0.00)
163:     vdw     (  1.608,   1.819,   1.151)  (  1.608,   1.819,   1.151)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       (-254.765, 436.986, -67.608)  (-254.707, 437.012, -67.559)  ( 0.02,  0.01,  0.07)
163:     bond    (-120.639, 134.169,  15.514)  (-120.591, 134.184,  15.547)  ( 0.04,  0.01,  0.21)
163:     angle   (-167.688, 157.180, -45.457)  (-167.679, 157.192, -45.442)  ( 0.01,  0.01,  0.03)
163:     torsion ( 33.886, 145.372, -37.446)  ( 33.886, 145.371, -37.446)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.324,   0.265,  -0.218)  ( -0.324,   0.265,  -0.218)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z7l_s91.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z94_tld.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z9k_doz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z9l_daz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z9v_pxm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2z9z_ddr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2za0_mgi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2za5_2ff.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zas_1oh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zaz_gk1.sdf
164:     angle   (  0.978,  -1.990,  -1.779)  (  0.979,  -1.990,  -1.778)  ( 0.03,  0.01,  0.03)
164:     strbnd  ( -0.228,  -0.099,  -0.703)  ( -0.228,  -0.099,  -0.703)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.442,   0.487,   0.072)  ( -0.442,   0.487,   0.072)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.399,   2.293,   2.016)  (  0.399,   2.293,   2.016)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 24       (  0.016,   0.004,  -0.000)  (  0.017,   0.005,   0.001)  ( 0.00,  0.00,  0.00)
164:     bond    (  0.712,  -0.619,  -0.845)  (  0.713,  -0.618,  -0.844)  ( 0.08,  0.05,  0.13)
164:     angle   ( -4.410,  -0.925,  -3.048)  ( -4.410,  -0.925,  -3.048)  ( 0.01,  0.03,  0.01)
164:     strbnd  ( -0.899,   0.082,  -0.052)  ( -0.899,   0.082,  -0.052)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.011,  -0.086,   0.054)  ( -0.011,  -0.086,   0.054)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.624,   1.552,   3.891)  (  4.624,   1.552,   3.891)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 25       (  0.015,   0.029,  -0.030)  (  0.017,   0.030,  -0.029)  ( 0.00,  0.00,  0.00)
164:     bond    ( -0.752,  -0.529,   0.528)  ( -0.750,  -0.529,   0.529)  ( 0.13,  0.05,  0.04)
164:     angle   (  1.555,   0.717,   2.924)  (  1.555,   0.718,   2.924)  ( 0.02,  0.03,  0.01)
164:     strbnd  ( -0.027,   0.641,   0.396)  ( -0.027,   0.641,   0.396)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.505,   0.263,  -0.453)  ( -0.505,   0.263,  -0.453)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.257,  -1.063,  -3.425)  ( -0.257,  -1.063,  -3.425)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 26       ( -0.016,  -0.001,  -0.020)  ( -0.014,  -0.000,  -0.018)  ( 0.00,  0.00,  0.00)
164:     bond    (  0.867,   0.313,   0.819)  (  0.869,   0.313,   0.821)  ( 0.15,  0.01,  0.12)
164:     angle   ( -3.775,   2.481,   3.047)  ( -3.775,   2.482,   3.047)  ( 0.01,  0.02,  0.01)
164:     strbnd  ( -0.869,   0.249,   0.057)  ( -0.869,   0.249,   0.057)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.019,   0.079,  -0.051)  (  0.019,   0.079,  -0.051)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.742,  -3.123,  -3.893)  (  3.742,  -3.123,  -3.893)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 27       (  0.012,  -0.017,   0.007)  (  0.013,  -0.015,   0.008)  ( 0.00,  0.00,  0.00)
164:     bond    ( -0.401,   0.886,  -0.386)  ( -0.401,   0.889,  -0.385)  ( 0.02,  0.22,  0.02)
164:     angle   (  1.642,   1.513,   1.782)  (  1.642,   1.513,   1.783)  ( 0.02,  0.01,  0.03)
164:     strbnd  ( -0.174,   0.171,   0.708)  ( -0.174,   0.170,   0.708)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.590,  -0.296,  -0.070)  ( -0.590,  -0.296,  -0.070)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.465,  -2.291,  -2.028)  ( -0.465,  -2.291,  -2.028)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: ok 34 # gradients 
164: ok 35 # energy 
164: ----------------------------------------------------------------------------------------
164:                                                                                         
164:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
164:                                                                                         
164:                                                                                         
164: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
164: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zb0_gk3.sdf
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163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 26       (-35.365,  12.544,   1.991)  (-35.358,  12.557,   2.007)  ( 0.02,  0.10,  0.80)
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163:     angle   (-36.168,  -7.559, -11.915)  (-36.165,  -7.556, -11.913)  ( 0.01,  0.03,  0.02)
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zec_11n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zeu_b71.sdf
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166:     torsion ( -3.658,  -1.057,   2.616)  ( -3.658,  -1.057,   2.616)  ( 0.00,  0.00,  0.00)
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166:     electro ( -0.625,  -0.501,  -0.156)  ( -0.625,  -0.501,  -0.156)  ( 0.00,  0.00,  0.00)
166:  2       (  0.736,   0.034,   0.004)  (  0.742,   0.039,   0.010)  ( 0.41,  0.02,  0.00)
166:     bond    ( 11.123,  -1.351,  -2.048)  ( 11.127,  -1.347,  -2.044)  ( 0.04,  0.29,  0.21)
166:     angle   ( -8.045,   1.278,   9.737)  ( -8.043,   1.280,   9.739)  ( 0.03,  0.16,  0.02)
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166:     torsion (  4.294,   0.736,  -3.479)  (  4.294,   0.736,  -3.478)  ( 0.00,  0.00,  0.00)
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166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  3       (  0.562,   0.076,  -0.092)  (  0.566,   0.081,  -0.087)  ( 0.27,  0.04,  0.05)
166:     bond    (  6.097,  -9.677,  17.390)  (  6.101,  -9.673,  17.394)  ( 0.06,  0.04,  0.02)
166:     angle   ( -1.378,   4.252, -13.110)  ( -1.376,   4.254, -13.108)  ( 0.15,  0.05,  0.02)
166:     strbnd  (  0.257,   0.181,  -0.552)  (  0.256,   0.180,  -0.552)  ( 0.03,  0.01,  0.03)
166:     torsion ( -0.355,   2.764,   0.802)  ( -0.355,   2.764,   0.802)  ( 0.00,  0.00,  0.01)
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166:     vdw     ( -4.059,   2.557,  -4.623)  ( -4.059,   2.557,  -4.623)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  4       (  1.701,   0.453,   0.308)  (  1.706,   0.472,   0.382)  ( 0.30,  0.89,  2.27)
166:     bond    (  8.642,  10.885,  -8.146)  (  8.646,  10.889,  -8.142)  ( 0.04,  0.04,  0.05)
166:     angle   ( -7.598,  -8.113,  12.883)  ( -7.596,  -8.111,  12.884)  ( 0.03,  0.02,  0.01)
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166:     torsion (  3.685,   2.177,  -4.847)  (  3.685,   2.177,  -4.846)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.002,  -0.088,  -0.446)  ( -0.002,  -0.075,  -0.377)  ( 0.00,  0.12,  3.03)
166:     vdw     ( -1.895,  -6.707,   1.430)  ( -1.894,  -6.706,   1.430)  ( 0.00,  0.00,  0.00)
166:     electro (  0.253,   0.395,   0.484)  (  0.253,   0.395,   0.484)  ( 0.00,  0.00,  0.00)
166:  5       ( -7.881,   4.561,  -0.394)  ( -7.870,   4.527,  -0.600)  ( 0.14,  0.76,  8.12)
166:     bond    (-12.705,  14.137,  -1.636)  (-12.697,  14.141,  -1.636)  ( 0.06,  0.03,  0.02)
166:     angle   (  1.253,   3.126,  -9.477)  (  1.254,   3.128,  -9.476)  ( 0.12,  0.05,  0.01)
166:     strbnd  (  1.419,  -3.117,   0.027)  (  1.419,  -3.117,   0.027)  ( 0.04,  0.02,  0.00)
166:     torsion ( -0.255,   1.581,   7.797)  ( -0.255,   1.581,   7.798)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.011,   0.244,   1.272)  ( -0.008,   0.203,   1.063)  ( 0.00,  0.98, 16.38)
166:     vdw     (  0.999, -11.742,   1.783)  (  0.999, -11.742,   1.783)  ( 0.02,  0.00,  0.00)
166:     electro (  1.419,   0.332,  -0.159)  (  1.419,   0.332,  -0.159)  ( 0.00,  0.00,  0.00)
166:  6       (  8.807,  -4.640,   1.194)  (  8.816,  -4.626,   1.216)  ( 0.11,  0.29,  1.77)
166:     bond    (  3.884,   4.853,  -0.204)  (  3.892,   4.858,  -0.204)  ( 0.19,  0.11,  0.01)
166:     angle   (  1.621,  -0.921,   2.154)  (  1.622,  -0.919,   2.155)  ( 0.08,  0.16,  0.02)
166:     strbnd  ( -1.690,   1.656,  -0.349)  ( -1.691,   1.655,  -0.349)  ( 0.04,  0.03,  0.00)
166:     torsion ( -0.062,  -0.722,  -2.668)  ( -0.062,  -0.722,  -2.667)  ( 0.00,  0.00,  0.04)
166:     oop     ( -0.011,  -0.030,  -0.074)  ( -0.010,  -0.023,  -0.055)  ( 0.00,  0.02,  0.14)
166:     vdw     (  4.938,  -9.590,   2.718)  (  4.938,  -9.589,   2.718)  ( 0.00,  0.00,  0.00)
166:     electro (  0.127,   0.114,  -0.383)  (  0.127,   0.114,  -0.383)  ( 0.00,  0.00,  0.00)
166:  7       ( -0.810,   0.444,  -0.283)  ( -0.806,   0.452,  -0.254)  ( 0.32,  0.37,  0.83)
166:     bond    (-11.282,  11.208,   0.541)  (-11.278,  11.212,   0.545)  ( 0.04,  0.03,  0.24)
166:     angle   (  9.286,  -4.053,  -3.402)  (  9.288,  -4.051,  -3.400)  ( 0.02,  0.05,  0.04)
166:     strbnd  (  0.811,  -0.072,  -0.853)  (  0.810,  -0.073,  -0.854)  ( 0.06,  0.01,  0.03)
166:     torsion ( -1.331,  -0.869,   0.696)  ( -1.331,  -0.869,   0.696)  ( 0.00,  0.00,  0.02)
166:     oop     (  0.009,  -0.020,  -0.131)  (  0.007,  -0.017,  -0.108)  ( 0.00,  0.01,  0.31)
166:     vdw     (  0.881,  -5.592,   2.703)  (  0.881,  -5.592,   2.703)  ( 0.01,  0.00,  0.00)
166:     electro (  0.815,  -0.158,   0.163)  (  0.815,  -0.158,   0.163)  ( 0.00,  0.00,  0.00)
166:  8       (  0.736,   0.178,   0.067)  (  0.740,   0.183,   0.072)  ( 0.35,  0.09,  0.04)
166:     bond    ( -1.261,  -2.729, -19.147)  ( -1.258,  -2.725, -19.143)  ( 0.27,  0.13,  0.02)
166:     angle   ( -9.942,   7.503,  26.405)  ( -9.940,   7.505,  26.407)  ( 0.02,  0.03,  0.01)
166:     strbnd  (  4.138,   2.113,   0.872)  (  4.137,   2.112,   0.871)  ( 0.02,  0.04,  0.03)
166:     torsion (  2.267,  -2.809,  -7.166)  (  2.267,  -2.809,  -7.166)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  5.533,  -3.900,  -0.897)  (  5.533,  -3.899,  -0.897)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  9       (  0.364,   0.232,  -0.008)  (  0.369,   0.237,  -0.002)  ( 0.20,  0.11,  0.00)
166:     bond    ( -6.983,  11.163,   5.799)  ( -6.980,  11.166,   5.803)  ( 0.06,  0.03,  0.07)
166:     angle   (  6.589,   0.564, -10.864)  (  6.592,   0.566, -10.862)  ( 0.04,  0.12,  0.02)
166:     strbnd  ( -4.331,  -9.696,   0.323)  ( -4.332,  -9.697,   0.323)  ( 0.02,  0.01,  0.01)
166:     torsion (  0.192,   1.536,   1.287)  (  0.192,   1.536,   1.287)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.897,  -3.334,   3.446)  (  4.897,  -3.334,   3.447)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 10       (  0.279,   0.320,   0.215)  (  0.284,   0.326,   0.221)  ( 0.13,  0.18,  0.13)
166:     bond    (  3.926,  16.947,  -8.842)  (  3.929,  16.951,  -8.838)  ( 0.09,  0.02,  0.05)
166:     angle   ( -6.642,  -8.727,   8.491)  ( -6.640,  -8.725,   8.493)  ( 0.03,  0.02,  0.02)
166:     strbnd  ( -1.913,  -4.925,   2.830)  ( -1.914,  -4.925,   2.830)  ( 0.05,  0.01,  0.02)
166:     torsion ( -1.013,  -0.173,  -1.195)  ( -1.013,  -0.173,  -1.195)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  5.922,  -2.802,  -1.070)  (  5.922,  -2.802,  -1.070)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 11       (  0.045,   0.535,   0.496)  (  0.051,   0.539,   0.502)  ( 0.03,  0.24,  0.29)
166:     bond    (-22.008,  -2.471,  -8.891)  (-22.004,  -2.468,  -8.886)  ( 0.02,  0.14,  0.05)
166:     angle   ( 15.128,   5.024,   5.636)  ( 15.130,   5.026,   5.638)  ( 0.01,  0.04,  0.03)
166:     strbnd  (  6.334,   1.549,   3.089)  (  6.333,   1.548,   3.089)  ( 0.01,  0.06,  0.02)
166:     torsion ( -1.616,   1.448,   1.166)  ( -1.616,   1.448,   1.166)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.209,  -5.015,  -0.504)  (  2.209,  -5.015,  -0.504)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 12       (  0.018,  -0.028,  -0.133)  (  0.022,  -0.023,  -0.128)  ( 0.01,  0.01,  0.07)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zfs_12u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zfx_yr3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zga_ydp.sdf
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 27       (  4.763,  -9.346,  37.404)  (  4.777,  -9.332,  37.411)  ( 0.31,  0.15,  0.02)
163:     bond    ( 14.702, -14.220,   7.906)  ( 14.714, -14.208,   7.909)  ( 0.08,  0.08,  0.04)
163:     angle   (-10.743,   9.005,  36.160)  (-10.741,   9.007,  36.163)  ( 0.02,  0.02,  0.01)
163:     torsion ( -1.890,  -1.759,   0.357)  ( -1.890,  -1.759,   0.357)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.694,  -2.372,  -7.018)  (  2.694,  -2.372,  -7.018)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 28       (-42.977,   6.178,   6.639)  (-42.962,   6.188,   6.648)  ( 0.04,  0.17,  0.14)
163:     bond    (-16.447, -12.459, -11.230)  (-16.434, -12.451, -11.224)  ( 0.08,  0.06,  0.06)
163:     angle   (-29.289,  19.160,  21.622)  (-29.287,  19.162,  21.625)  ( 0.01,  0.01,  0.01)
163:     torsion ( -0.328,   1.908,  -1.636)  ( -0.328,   1.908,  -1.636)  ( 0.00,  0.00,  0.00)
163:     vdw     (  3.087,  -2.431,  -2.117)  (  3.087,  -2.431,  -2.117)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 29       ( -7.405,  39.134,  -1.182)  ( -7.395,  39.145,  -1.167)  ( 0.13,  0.03,  1.25)
163:     bond    (  8.732,  10.230, -12.436)  (  8.739,  10.238, -12.423)  ( 0.07,  0.08,  0.10)
163:     angle   (-18.082,  33.209,  14.652)  (-18.079,  33.212,  14.654)  ( 0.02,  0.01,  0.01)
163:     torsion (  1.576,  -0.176,   0.963)  (  1.576,  -0.176,   0.963)  ( 0.01,  0.00,  0.00)
163:     vdw     (  0.370,  -4.129,  -4.362)  (  0.370,  -4.129,  -4.361)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 30       ( -0.063, 275.793,  24.986)  ( -0.057, 275.833,  24.991)  ( 0.04,  0.01,  0.02)
163:     bond    (-61.451, 258.293, -33.425)  (-61.448, 258.332, -33.423)  ( 0.01,  0.02,  0.01)
163:     angle   ( 35.883,  14.142,  43.329)  ( 35.884,  14.142,  43.330)  ( 0.00,  0.00,  0.00)
163:     torsion (  8.079,   1.013,  -7.023)  (  8.080,   1.013,  -7.022)  ( 0.01,  0.00,  0.01)
163:     vdw     ( 20.022,   2.547,  24.873)  ( 20.022,   2.547,  24.873)  ( 0.00,  0.00,  0.00)
163:     electro ( -2.595,  -0.201,  -2.767)  ( -2.595,  -0.201,  -2.767)  ( 0.00,  0.00,  0.00)
163: 31       (-77.921,  40.028, -66.070)  (-77.916,  40.077, -66.053)  ( 0.01,  0.12,  0.03)
163:     bond    (  0.512,   2.123,   1.160)  (  0.515,   2.172,   1.174)  ( 0.14,  2.27,  1.22)
163:     angle   (-49.362,  40.654, -53.541)  (-49.360,  40.655, -53.539)  ( 0.00,  0.00,  0.00)
163:     torsion (-10.996,  -2.287,   9.050)  (-10.996,  -2.287,   9.050)  ( 0.00,  0.00,  0.00)
163:     vdw     (-20.501,  -0.752, -25.565)  (-20.501,  -0.752, -25.565)  ( 0.00,  0.00,  0.00)
163:     electro (  2.426,   0.290,   2.826)  (  2.426,   0.290,   2.826)  ( 0.00,  0.00,  0.00)
163: ok 32 # gradients 
163: ok 33 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (-115.635,  21.736,   0.189)  (-115.570,  21.769,   0.261)  ( 0.06,  0.15,  1.36)
163:     bond    (-155.155,  29.198,   0.313)  (-155.106,  29.225,   0.374)  ( 0.03,  0.09,  1.92)
163:     angle   ( 44.402,  -8.380,  -0.123)  ( 44.417,  -8.375,  -0.113)  ( 0.03,  0.06,  0.12)
163:     torsion (  0.002,   0.003,  -0.004)  (  0.002,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -4.883,   0.914,   0.003)  ( -4.883,   0.914,   0.003)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       ( 89.152,  70.487, 132.498)  ( 89.246,  70.510, 132.551)  ( 0.11,  0.03,  0.04)
163:     bond    (124.343,  54.798, 117.293)  (124.423,  54.815, 117.335)  ( 0.06,  0.03,  0.04)
163:     angle   (-29.725,  15.057,  14.214)  (-29.711,  15.062,  14.224)  ( 0.05,  0.03,  0.07)
163:     torsion ( -0.151,  -0.795,   0.529)  ( -0.151,  -0.793,   0.530)  ( 0.00,  0.15,  0.05)
163:     vdw     ( -5.315,   1.427,   0.461)  ( -5.315,   1.427,   0.461)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       (-39.154, -178.592, -284.443)  (-39.068, -178.560, -284.388)  ( 0.22,  0.02,  0.02)
163:     bond    (-12.756, -187.831, -286.760)  (-12.680, -187.806, -286.714)  ( 0.59,  0.01,  0.02)
163:     angle   (-31.273,   4.375,   0.135)  (-31.263,   4.379,   0.144)  ( 0.03,  0.11,  0.12)
163:     torsion (  0.549,   2.943,  -1.961)  (  0.549,   2.945,  -1.961)  ( 0.00,  0.06,  0.04)
163:     vdw     (  4.325,   1.921,   4.143)  (  4.325,   1.921,   4.143)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       (-335.251,  62.938,   0.691)  (-335.166,  62.974,   0.761)  ( 0.03,  0.06,  4.83)
163:     bond    (-352.029,  66.166,   0.717)  (-351.957,  66.195,   0.779)  ( 0.02,  0.04,  4.44)
163:     angle   ( 14.375,  -2.725,  -0.053)  ( 14.387,  -2.720,  -0.046)  ( 0.08,  0.18,  0.04)
163:     torsion ( -0.006,  -0.053,   0.030)  ( -0.006,  -0.051,   0.031)  ( 0.00,  0.01,  0.00)
163:     vdw     (  2.409,  -0.450,  -0.003)  (  2.409,  -0.450,  -0.003)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       ( 27.195, 180.390, 283.496)  ( 27.286, 180.416, 283.552)  ( 0.33,  0.01,  0.02)
163:     bond    ( 55.263, 179.325, 285.907)  ( 55.344, 179.345, 285.953)  ( 0.15,  0.01,  0.02)
163:     angle   (-30.880,   7.204,  -0.115)  (-30.869,   7.209,  -0.105)  ( 0.03,  0.07,  0.11)
163:     torsion ( -0.520,  -2.785,   1.852)  ( -0.520,  -2.783,   1.852)  ( 0.00,  0.06,  0.04)
163:     vdw     (  3.332,  -3.355,  -4.148)  (  3.332,  -3.355,  -4.148)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       ( 58.413, -98.539, -133.073)  ( 58.501, -98.509, -133.020)  ( 0.15,  0.03,  0.04)
163:     bond    ( 96.824, -96.564, -117.957)  ( 96.897, -96.541, -117.916)  ( 0.08,  0.02,  0.04)
163:     angle   (-33.075,  -3.298, -14.167)  (-33.061,  -3.294, -14.157)  ( 0.04,  0.14,  0.07)
163:     torsion (  0.134,   0.729,  -0.489)  (  0.134,   0.731,  -0.488)  ( 0.00,  0.14,  0.04)
163:     vdw     ( -5.469,   0.595,  -0.460)  ( -5.469,   0.595,  -0.460)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  7       (101.790, -18.208,  -0.641)  (101.875, -18.136,  -0.611)  ( 0.08,  0.40,  1.91)
163:     bond    (101.062, -18.055,  -0.655)  (101.135, -17.991,  -0.631)  ( 0.07,  0.35,  1.52)
163:     angle   (  0.148,  -0.048,   0.023)  (  0.161,  -0.040,   0.028)  ( 0.18,  0.04,  0.01)
163:     torsion ( -0.000,  -0.002,   0.001)  ( -0.000,  -0.002,   0.002)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.581,  -0.104,  -0.010)  (  0.581,  -0.103,  -0.010)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       (-138.785, -13.091,  23.815)  (-138.689, -13.035,  23.838)  ( 0.07,  0.42,  0.10)
163:     bond    (-140.778,   3.720,  13.499)  (-140.696,   3.765,  13.516)  ( 0.06,  1.22,  0.13)
163:     angle   (  6.594, -24.351,  13.745)  (  6.606, -24.342,  13.748)  ( 0.19,  0.04,  0.02)
163:     torsion (  0.047,   0.249,   0.418)  (  0.047,   0.250,   0.420)  ( 0.00,  0.02,  0.09)
163:     vdw     ( -4.485,   7.790,  -4.162)  ( -4.485,   7.790,  -4.162)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.162,  -0.498,   0.315)  ( -0.162,  -0.498,   0.315)  ( 0.00,  0.00,  0.00)
163:  9       (299.960, -16.422, -23.891)  (300.048, -16.362, -23.869)  ( 0.03,  0.36,  0.09)
163:     bond    (133.911, -45.712,  12.147)  (133.988, -45.663,  12.163)  ( 0.06,  0.11,  0.13)
163:     angle   (160.936,  23.671, -32.124)  (160.948,  23.681, -32.121)  ( 0.01,  0.04,  0.01)
163:     torsion ( -0.001,  -0.006,  -0.011)  ( -0.001,  -0.006,  -0.009)  ( 0.00,  0.00,  0.00)
163:     vdw     (  5.102,   6.209,  -4.249)  (  5.102,   6.209,  -4.249)  ( 0.00,  0.00,  0.00)
163:     electro (  0.012,  -0.584,   0.346)  (  0.012,  -0.584,   0.346)  ( 0.00,  0.00,  0.00)
163: 10       (-233.469,  43.737,   0.095)  (-233.425,  43.797,   0.119)  ( 0.02,  0.14,  0.23)
164:  1       ( 40.017,  -0.918,  27.693)  ( 40.022,  -0.916,  27.698)  ( 0.01,  0.21,  0.02)
164:     bond    ( 17.093,   4.746,  20.403)  ( 17.097,   4.747,  20.407)  ( 0.02,  0.02,  0.02)
164:     angle   ( 10.823,  -6.670,  -7.661)  ( 10.824,  -6.668,  -7.659)  ( 0.02,  0.03,  0.02)
164:     strbnd  ( -1.302,  -1.496,  -3.384)  ( -1.303,  -1.496,  -3.384)  ( 0.04,  0.04,  0.02)
164:     torsion ( -0.752,  -0.481,  -0.404)  ( -0.752,  -0.481,  -0.404)  ( 0.01,  0.01,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.697,   3.940,   6.118)  (  2.697,   3.940,   6.118)  ( 0.00,  0.00,  0.00)
164:     electro ( 11.458,  -0.958,  12.621)  ( 11.458,  -0.958,  12.621)  ( 0.00,  0.00,  0.00)
164:  2       (-31.059,   8.802,  24.651)  (-31.053,   8.807,  24.657)  ( 0.02,  0.06,  0.02)
164:     bond    (-27.113,  -0.560,   3.022)  (-27.109,  -0.556,   3.026)  ( 0.02,  0.22,  0.12)
164:     angle   (-10.986,   1.327,   1.389)  (-10.984,   1.329,   1.391)  ( 0.02,  0.14,  0.17)
164:     strbnd  (  6.026,   1.292,   2.785)  (  6.025,   1.291,   2.784)  ( 0.02,  0.04,  0.03)
164:     torsion (  0.387,   2.102,   1.063)  (  0.387,   2.103,   1.063)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.974,  -1.076,   6.259)  ( -5.974,  -1.076,   6.260)  ( 0.00,  0.00,  0.00)
164:     electro (  6.602,   5.716,  10.133)  (  6.602,   5.716,  10.133)  ( 0.00,  0.00,  0.00)
164:  3       (-13.765, -13.920,  11.801)  (-13.759, -13.915,  11.806)  ( 0.04,  0.04,  0.04)
164:     bond    ( -2.739,  -3.315,  12.969)  ( -2.735,  -3.311,  12.974)  ( 0.14,  0.12,  0.03)
164:     angle   (  0.437, -11.359,  -0.705)  (  0.439, -11.357,  -0.703)  ( 0.09,  0.02,  0.14)
164:     strbnd  (  1.387,   2.155,  -8.533)  (  1.387,   2.154,  -8.535)  ( 0.02,  0.03,  0.02)
164:     torsion ( -2.416,   1.078,   0.854)  ( -2.416,   1.078,   0.855)  ( 0.00,  0.01,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -6.807,  -1.527,   6.510)  ( -6.807,  -1.527,   6.510)  ( 0.00,  0.00,  0.00)
164:     electro ( -3.627,  -0.951,   0.706)  ( -3.627,  -0.951,   0.706)  ( 0.00,  0.00,  0.00)
164:  4       (-10.095,   5.283, -11.576)  (-10.089,   5.286, -11.570)  ( 0.05,  0.05,  0.05)
164:     bond    (  0.949,  -2.282,   0.268)  (  0.953,  -2.280,   0.273)  ( 0.43,  0.06,  0.13)
164:     angle   (  0.591,  21.684,   6.844)  (  0.593,  21.686,   6.845)  ( 0.09,  0.01,  0.02)
164:     strbnd  (  1.406,  -5.851,  -0.013)  (  1.406,  -5.852,  -0.014)  ( 0.04,  0.01,  0.00)
164:     torsion (  0.184,  -1.989,  -0.339)  (  0.185,  -1.989,  -0.339)  ( 0.00,  0.01,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -5.463,  -3.294,  -7.182)  ( -5.463,  -3.294,  -7.182)  ( 0.00,  0.00,  0.00)
164:     electro ( -7.762,  -2.986, -11.154)  ( -7.762,  -2.986, -11.154)  ( 0.00,  0.00,  0.00)
164:  5       ( 15.784,  -6.823, -14.411)  ( 15.790,  -6.817, -14.405)  ( 0.03,  0.08,  0.04)
164:     bond    ( 13.334,   0.629,  -1.309)  ( 13.339,   0.633,  -1.305)  ( 0.04,  0.25,  0.29)
164:     angle   (  2.816, -10.985,  -2.204)  (  2.818, -10.983,  -2.202)  ( 0.07,  0.02,  0.10)
164:     strbnd  ( -8.882,  -0.451,   0.327)  ( -8.883,  -0.452,   0.326)  ( 0.02,  0.02,  0.01)
164:     torsion (  0.798,   1.843,  -1.911)  (  0.798,   1.843,  -1.911)  ( 0.00,  0.01,  0.01)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  7.392,   1.990,  -5.711)  (  7.392,   1.990,  -5.711)  ( 0.00,  0.00,  0.00)
164:     electro (  0.327,   0.152,  -3.602)  (  0.327,   0.152,  -3.602)  ( 0.00,  0.00,  0.00)
164:  6       ( 23.240,  20.461, -25.217)  ( 23.246,  20.467, -25.212)  ( 0.03,  0.03,  0.02)
164:     bond    (  5.775,   7.666, -25.091)  (  5.778,   7.670, -25.086)  ( 0.07,  0.05,  0.02)
164:     angle   (  1.263,   4.370, -10.670)  (  1.265,   4.372, -10.668)  ( 0.18,  0.05,  0.02)
164:     strbnd  (  1.829,   0.313,   6.376)  (  1.828,   0.312,   6.375)  ( 0.03,  0.02,  0.02)
164:     torsion (  2.320,   0.305,   0.903)  (  2.321,   0.305,   0.903)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  7.013,   1.540,  -5.601)  (  7.013,   1.540,  -5.601)  ( 0.00,  0.00,  0.00)
164:     electro (  5.041,   6.267,   8.866)  (  5.041,   6.267,   8.865)  ( 0.00,  0.00,  0.00)
164:  7       ( -5.321,  -8.169,  -8.288)  ( -5.316,  -8.164,  -8.283)  ( 0.11,  0.07,  0.07)
164:     bond    ( -5.766,  -6.148,  -8.390)  ( -5.762,  -6.144,  -8.385)  ( 0.07,  0.07,  0.05)
164:     angle   ( -0.655,  -5.211,  -2.282)  ( -0.653,  -5.209,  -2.280)  ( 0.12,  0.03,  0.08)
164:     strbnd  (  5.025,   4.822,   7.145)  (  5.024,   4.821,   7.144)  ( 0.01,  0.02,  0.01)
164:     torsion (  0.524,  -0.894,   0.352)  (  0.524,  -0.894,   0.352)  ( 0.00,  0.01,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -4.384,  -0.621,  -5.255)  ( -4.383,  -0.621,  -5.255)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.066,  -0.117,   0.141)  ( -0.066,  -0.117,   0.141)  ( 0.00,  0.00,  0.00)
164:  8       ( -6.827,  14.475,  22.925)  ( -6.821,  14.475,  22.975)  ( 0.08,  0.00,  0.22)
164:     bond    ( 11.385, -12.341, -10.198)  ( 11.388, -12.332, -10.191)  ( 0.03,  0.07,  0.07)
164:     angle   (-32.172,  28.633,  36.543)  (-32.169,  28.635,  36.546)  ( 0.01,  0.01,  0.01)
164:     strbnd  ( 23.556,  -6.610,  -5.451)  ( 23.555,  -6.611,  -5.452)  ( 0.00,  0.02,  0.02)
164:     torsion (  0.338,  -1.851,   0.344)  (  0.338,  -1.851,   0.344)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.005,   0.056,  -0.231)  ( -0.004,   0.046,  -0.190)  ( 0.00,  0.06,  0.96)
164:     vdw     (  1.478,   1.254,   4.534)  (  1.478,   1.254,   4.535)  ( 0.01,  0.00,  0.00)
164:     electro (-11.406,   5.334,  -2.617)  (-11.406,   5.334,  -2.617)  ( 0.00,  0.00,  0.00)
164:  9       (  5.719, -19.054, -11.028)  (  5.721, -19.052, -11.021)  ( 0.03,  0.01,  0.06)
164:     bond    (  1.485,   1.600,  -4.386)  (  1.486,   1.600,  -4.380)  ( 0.05,  0.05,  0.14)
164:     angle   (  5.763, -17.078,  -4.285)  (  5.764, -17.078,  -4.285)  ( 0.01,  0.00,  0.00)
164:     strbnd  ( -0.447,  -2.536,   3.420)  ( -0.447,  -2.536,   3.420)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.480,   0.079,   0.191)  (  0.480,   0.079,   0.191)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.856,   0.959,   2.952)  (  1.856,   0.959,   2.952)  ( 0.00,  0.00,  0.00)
164:     electro ( -3.417,  -2.078,  -8.920)  ( -3.417,  -2.078,  -8.920)  ( 0.00,  0.00,  0.00)
164: 10       ( 10.482,  -6.063, -18.767)  ( 10.483,  -6.056, -18.766)  ( 0.01,  0.12,  0.01)
164:     bond    (  0.309,  -3.128,   0.485)  (  0.309,  -3.121,   0.485)  ( 0.00,  0.24,  0.01)
164:     angle   ( 15.756,  -0.811, -15.260)  ( 15.757,  -0.811, -15.259)  ( 0.00,  0.00,  0.01)
164:     strbnd  (  0.664,   2.939,  -1.490)  (  0.664,   2.939,  -1.490)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.106,  -0.157,  -0.307)  ( -1.106,  -0.157,  -0.307)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.387,   3.365,   2.847)  ( -2.387,   3.365,   2.847)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.755,  -8.271,  -5.043)  ( -2.755,  -8.271,  -5.043)  ( 0.00,  0.00,  0.00)
164: 11       (-10.638,  -8.900,  -5.709)  (-10.635,  -8.866,  -5.820)  ( 0.03,  0.38,  1.94)
164:     bond    ( -6.709,   1.922,   1.059)  ( -6.705,   1.927,   1.060)  ( 0.06,  0.26,  0.04)
164:     angle   ( 24.355, -15.184, -15.338)  ( 24.357, -15.182, -15.338)  ( 0.01,  0.01,  0.00)
164:     strbnd  (-18.936,   1.986,   0.297)  (-18.936,   1.986,   0.297)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.305,  -0.296,   4.647)  (  0.305,  -0.296,   4.648)  ( 0.00,  0.00,  0.02)
164:     oop     (  0.009,  -0.160,   0.679)  (  0.007,  -0.133,   0.566)  ( 0.00,  0.43,  7.65)
164:     vdw     ( -9.578,   2.904,   3.010)  ( -9.577,   2.904,   3.010)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.085,  -0.071,  -0.064)  ( -0.085,  -0.071,  -0.064)  ( 0.00,  0.00,  0.00)
164: 12       (-21.260,  -0.793,  -2.235)  (-21.252,  -0.800,  -2.173)  ( 0.04,  0.56,  2.79)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zi5_3l1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zi6_3d1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zi8_sdt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zia_cl9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zir_nh7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zis_nh8.sdf
168: ok 1 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : 
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ziz_ad3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zjf_bsu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zjv_ct4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zjw_ref.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zk6_c08.sdf
163:     bond    (-36.748,   6.966,  -0.083)  (-36.717,   7.023,  -0.062)  ( 0.08,  0.82,  0.18)
163:     angle   (-198.893,  37.174,   0.174)  (-198.881,  37.176,   0.175)  ( 0.01,  0.01,  0.02)
163:     torsion (  0.001,   0.004,   0.006)  (  0.001,   0.004,   0.007)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.172,  -0.406,  -0.002)  (  2.172,  -0.406,  -0.002)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 11       (283.908, -93.274,  23.554)  (284.004, -93.222,  23.576)  ( 0.03,  0.06,  0.09)
163:     bond    (139.738,  -5.983, -12.161)  (139.823,  -5.943, -12.145)  ( 0.06,  0.68,  0.13)
163:     angle   (141.433, -80.187,  31.834)  (141.444, -80.176,  31.838)  ( 0.01,  0.01,  0.01)
163:     torsion ( -0.002,  -0.009,  -0.016)  ( -0.002,  -0.009,  -0.014)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.517,  -7.635,   4.243)  (  2.517,  -7.635,   4.243)  ( 0.00,  0.00,  0.00)
163:     electro (  0.221,   0.540,  -0.346)  (  0.221,   0.540,  -0.346)  ( 0.00,  0.00,  0.00)
163: 12       (-122.480,  60.874, -23.086)  (-122.391,  60.937, -23.063)  ( 0.07,  0.10,  0.10)
163:     bond    (-130.580,  46.096, -12.840)  (-130.504,  46.148, -12.823)  ( 0.06,  0.11,  0.14)
163:     angle   ( 15.105,  20.142, -13.695)  ( 15.117,  20.151, -13.692)  ( 0.08,  0.05,  0.02)
163:     torsion ( -0.045,  -0.242,  -0.407)  ( -0.045,  -0.241,  -0.405)  ( 0.00,  0.02,  0.09)
163:     vdw     ( -6.987,  -5.645,   4.172)  ( -6.987,  -5.645,   4.172)  ( 0.00,  0.00,  0.00)
163:     electro (  0.029,   0.523,  -0.315)  (  0.029,   0.523,  -0.315)  ( 0.00,  0.00,  0.00)
163: 13       ( -9.925,  12.224,  -6.238)  ( -9.911,  12.239,  -6.231)  ( 0.14,  0.12,  0.11)
163:     bond    (  4.051,   4.454,  -3.122)  (  4.061,   4.467,  -3.116)  ( 0.26,  0.28,  0.20)
163:     angle   (-11.210,   7.819,  -3.395)  (-11.207,   7.821,  -3.395)  ( 0.03,  0.02,  0.01)
163:     torsion ( -0.006,  -0.030,  -0.051)  ( -0.006,  -0.030,  -0.050)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -1.943,  -0.290,   0.399)  ( -1.943,  -0.290,   0.399)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.817,   0.271,  -0.069)  ( -0.817,   0.271,  -0.069)  ( 0.00,  0.00,  0.00)
163: 14       (-58.101,  -7.908,  11.227)  (-58.092,  -7.888,  11.233)  ( 0.02,  0.25,  0.06)
163:     bond    ( -5.451,  10.771,  -5.813)  ( -5.446,  10.790,  -5.808)  ( 0.09,  0.17,  0.09)
163:     angle   (-55.786, -18.776,  17.425)  (-55.782, -18.776,  17.426)  ( 0.01,  0.00,  0.00)
163:     torsion (  0.002,   0.013,   0.021)  (  0.002,   0.013,   0.022)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.316,   0.076,  -0.310)  (  2.316,   0.076,  -0.310)  ( 0.00,  0.00,  0.00)
163:     electro (  0.817,   0.009,  -0.097)  (  0.817,   0.009,  -0.097)  ( 0.00,  0.00,  0.00)
163: 15       ( 76.256,  52.092, 107.712)  ( 76.305,  52.140, 107.761)  ( 0.06,  0.09,  0.05)
163:     bond    ( 35.609,  26.240,  49.457)  ( 35.644,  26.277,  49.494)  ( 0.10,  0.14,  0.07)
163:     angle   ( 39.337,  26.345,  57.041)  ( 39.351,  26.356,  57.052)  ( 0.03,  0.04,  0.02)
163:     torsion ( -0.132,  -0.717,   0.478)  ( -0.132,  -0.716,   0.478)  ( 0.00,  0.02,  0.01)
163:     vdw     (  1.442,   0.223,   0.737)  (  1.442,   0.223,   0.737)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 16       ( 44.286,  -8.269,   0.021)  ( 44.306,  -8.267,   0.025)  ( 0.05,  0.03,  0.01)
163:     bond    ( 44.465,  -8.332,  -0.027)  ( 44.486,  -8.331,  -0.027)  ( 0.05,  0.01,  0.00)
163:     angle   (  0.006,   0.030,   0.046)  (  0.006,   0.032,   0.049)  ( 0.00,  0.00,  0.02)
163:     torsion ( -0.001,  -0.003,   0.002)  ( -0.000,  -0.003,   0.002)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.185,   0.035,   0.000)  ( -0.185,   0.035,   0.001)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 17       ( 11.070, -26.992, -37.858)  ( 11.079, -26.985, -37.845)  ( 0.08,  0.03,  0.03)
163:     bond    ( 20.382, -27.254, -35.045)  ( 20.386, -27.248, -35.034)  ( 0.02,  0.02,  0.03)
163:     angle   (  9.567,   1.260,   4.588)  (  9.572,   1.261,   4.589)  ( 0.05,  0.01,  0.02)
163:     torsion ( -0.026,  -0.136,   0.091)  ( -0.026,  -0.136,   0.091)  ( 0.00,  0.00,  0.00)
163:     vdw     (-18.853,  -0.862,  -7.491)  (-18.852,  -0.862,  -7.491)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 18       ( 51.986, -76.293, -107.219)  ( 52.034, -76.245, -107.170)  ( 0.09,  0.06,  0.05)
163:     bond    ( 23.428, -37.115, -49.146)  ( 23.463, -37.078, -49.109)  ( 0.15,  0.10,  0.08)
163:     angle   ( 27.171, -39.113, -56.891)  ( 27.184, -39.102, -56.879)  ( 0.05,  0.03,  0.02)
163:     torsion (  0.125,   0.664,  -0.443)  (  0.125,   0.664,  -0.443)  ( 0.00,  0.02,  0.01)
163:     vdw     (  1.262,  -0.729,  -0.739)  (  1.262,  -0.729,  -0.739)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 19       ( 20.224,  21.241,  37.963)  ( 20.235,  21.245,  37.975)  ( 0.06,  0.02,  0.03)
163:     bond    ( 29.019,  18.087,  35.138)  ( 29.026,  18.090,  35.149)  ( 0.03,  0.02,  0.03)
163:     angle   (  8.429,  -4.622,  -4.586)  (  8.432,  -4.621,  -4.585)  ( 0.04,  0.02,  0.02)
163:     torsion (  0.025,   0.137,  -0.092)  (  0.025,   0.138,  -0.092)  ( 0.00,  0.00,  0.00)
163:     vdw     (-17.249,   7.639,   7.504)  (-17.249,   7.639,   7.504)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 20       (-13.482,  -7.871,   6.229)  (-13.474,  -7.850,   6.236)  ( 0.06,  0.26,  0.11)
163:     bond    (  2.196,  -5.711,   3.136)  (  2.199,  -5.691,   3.142)  ( 0.14,  0.35,  0.19)
163:     angle   (-13.116,  -3.204,   3.373)  (-13.111,  -3.203,   3.373)  ( 0.04,  0.01,  0.01)
163:     torsion (  0.005,   0.027,   0.046)  (  0.005,   0.027,   0.046)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -1.707,   0.973,  -0.396)  ( -1.707,   0.973,  -0.396)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.859,   0.043,   0.071)  ( -0.859,   0.043,   0.071)  ( 0.00,  0.00,  0.00)
163: 21       (-51.233,  28.537, -11.269)  (-51.218,  28.550, -11.263)  ( 0.03,  0.05,  0.06)
163:     bond    ( -8.828,  -7.962,   5.713)  ( -8.815,  -7.951,   5.718)  ( 0.15,  0.13,  0.10)
163:     angle   (-45.295,  37.720, -17.368)  (-45.293,  37.722, -17.368)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.002,  -0.009,  -0.016)  ( -0.002,  -0.009,  -0.015)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.132,  -0.908,   0.306)  (  2.132,  -0.908,   0.306)  ( 0.00,  0.00,  0.00)
163:     electro (  0.759,  -0.304,   0.096)  (  0.759,  -0.304,   0.096)  ( 0.00,  0.00,  0.00)
163: 22       ( 24.108, -32.847,  -9.947)  ( 24.118, -32.831,  -9.938)  ( 0.04,  0.05,  0.10)
163:     bond    ( 14.454, -21.636,  14.894)  ( 14.460, -21.622,  14.901)  ( 0.04,  0.07,  0.05)
163:     angle   (  9.873, -11.881, -26.823)  (  9.876, -11.879, -26.820)  ( 0.03,  0.01,  0.01)
163:     torsion ( -0.023,  -0.003,   0.019)  ( -0.023,  -0.003,   0.019)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.195,   0.672,   1.962)  ( -0.195,   0.672,   1.962)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 23       ( 27.579,   2.612, -28.301)  ( 27.594,   2.626, -28.294)  ( 0.05,  0.53,  0.02)
163:     bond    ( 19.888,  19.685, -11.092)  ( 19.900,  19.697, -11.088)  ( 0.06,  0.06,  0.03)
163:     angle   (  7.749, -17.983, -18.033)  (  7.752, -17.981, -18.030)  ( 0.03,  0.01,  0.02)
163:     torsion (  0.020,  -0.022,  -0.003)  (  0.020,  -0.022,  -0.003)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.078,   0.933,   0.827)  ( -0.078,   0.933,   0.827)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 24       (-28.691,   9.540,   6.093)  (-28.680,   9.549,   6.107)  ( 0.04,  0.10,  0.23)
163:     bond    (-16.080,  13.930,  19.010)  (-16.071,  13.937,  19.022)  ( 0.05,  0.05,  0.06)
163:     angle   (-34.103,  -6.913, -23.751)  (-34.101,  -6.910, -23.749)  ( 0.01,  0.04,  0.01)
163:     torsion (  0.003,   0.026,  -0.016)  (  0.003,   0.026,  -0.016)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 21.489,   2.497,  10.850)  ( 21.489,   2.497,  10.850)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 25       ( 34.410,  22.071,   9.571)  ( 34.426,  22.081,   9.580)  ( 0.05,  0.04,  0.10)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zkc_bpz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zl9_vda.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zla_vdb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zlg_mrt.sdf
168:  1       ( -2.053,   0.415,  -0.337)  ( -2.105,   0.368,  -0.075)  ( 2.53,  1.96,  8.81)
168:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
168:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
168:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
168:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
168:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
168:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
168:     electro (  0.486,   0.087,   0.038)  (  0.486,   0.087,   0.038)  ( 0.00,  0.00,  0.00)
168:  2       (  0.088,   0.178,   0.659)  (  0.225,   0.295,   0.137)  ( 1.20,  2.08, 34.38)
168:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
168:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
168:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
168:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
168:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
168:     electro (  0.052,  -0.254,  -0.057)  (  0.052,  -0.254,  -0.057)  ( 0.00,  0.00,  0.00)
168:  3       (  0.944,   1.074,   0.464)  (  0.859,   1.006,   0.824)  ( 8.03,  6.34, 16.68)
168:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
168:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
168:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
168:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
168:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
168:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.569,   0.038,  -0.166)  ( -0.569,   0.038,  -0.166)  ( 0.00,  0.00,  0.00)
168:  4       (  0.427,  -1.622,  -0.238)  (  0.436,  -1.613,  -0.247)  ( 0.36,  0.57,  0.21)
168:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
168:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
168:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
168:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
168:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
168:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
168:     electro (  0.349,   0.071,  -0.029)  (  0.349,   0.071,  -0.029)  ( 0.00,  0.00,  0.00)
168:  5       ( -6.203,   2.397,   1.174)  ( -6.193,   2.403,   1.165)  ( 0.15,  0.28,  0.83)
168:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
168:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
168:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
168:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
168:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
168:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.343,   0.567,  -0.136)  ( -0.343,   0.567,  -0.136)  ( 0.00,  0.00,  0.00)
168:  6       (  1.625,  -1.131,  -0.206)  (  1.645,  -1.109,  -0.266)  ( 1.28,  1.91,  1.23)
168:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
168:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
168:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
168:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
168:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
168:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.144,   0.140,   0.062)  ( -0.144,   0.140,   0.062)  ( 0.00,  0.00,  0.00)
168:  7       ( -1.018,  -0.292,  -0.300)  ( -1.008,  -0.282,  -0.315)  ( 0.96,  0.31,  0.44)
168:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
168:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
168:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
168:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
168:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
168:     electro (  0.448,  -0.945,  -0.018)  (  0.448,  -0.945,  -0.018)  ( 0.00,  0.00,  0.00)
168:  8       ( -1.004,   2.236,   0.069)  ( -1.034,   2.210,   0.203)  ( 3.05,  1.13,  0.92)
168:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
168:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
168:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
168:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
168:     electro (  0.013,  -0.285,   0.000)  (  0.013,  -0.285,   0.000)  ( 0.00,  0.00,  0.00)
168:  9       (  0.351,  -0.939,   0.203)  (  0.357,  -0.933,   0.209)  ( 0.20,  0.53,  0.11)
168:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
168:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
168:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
168:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
168:     electro (  0.040,  -0.039,  -0.079)  (  0.040,  -0.039,  -0.079)  ( 0.00,  0.00,  0.00)
168: 10       (  0.625,  -1.053,  -0.035)  (  0.652,  -1.028,  -0.117)  ( 1.68,  2.30,  0.29)
168:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
168:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
168:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
168:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
168:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.080,  -0.003,  -0.041)  ( -0.080,  -0.003,  -0.041)  ( 0.00,  0.00,  0.00)
168: 11       ( -0.026,  -0.445,  -0.490)  ( -0.012,  -0.431,  -0.525)  ( 0.04,  0.66,  1.67)
168:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
168:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
168:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
168:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
168:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
168:     electro (  0.189,   0.026,   0.145)  (  0.189,   0.026,   0.145)  ( 0.00,  0.00,  0.00)
168: 12       (  0.717,  -9.657,   1.652)  (  0.730,  -9.654,   1.624)  ( 0.90,  0.03,  1.69)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zm1_ksf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zm3_575.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zm4_ksm.sdf
164:     bond    (  1.922,   0.917,   0.032)  (  1.927,   0.922,   0.032)  ( 0.28,  0.47,  0.00)
164:     angle   ( -9.984,   2.922,   1.064)  ( -9.983,   2.923,   1.065)  ( 0.02,  0.05,  0.01)
164:     strbnd  (-10.267,   7.335,   1.838)  (-10.267,   7.335,   1.838)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.034,   0.453,  -2.054)  ( -0.034,   0.453,  -2.053)  ( 0.00,  0.00,  0.06)
164:     oop     ( -0.004,   0.086,  -0.378)  ( -0.003,   0.072,  -0.317)  ( 0.00,  0.12,  2.29)
164:     vdw     ( -6.756, -10.594,  -1.657)  ( -6.755, -10.594,  -1.657)  ( 0.00,  0.00,  0.00)
164:     electro (  3.862,  -1.910,  -1.080)  (  3.862,  -1.910,  -1.080)  ( 0.00,  0.00,  0.00)
164: 13       ( 11.035, -18.539,  -9.258)  ( 11.043, -18.545,  -9.206)  ( 0.07,  0.03,  0.56)
164:     bond    (  3.557,   7.206,   1.481)  (  3.562,   7.211,   1.482)  ( 0.15,  0.07,  0.03)
164:     angle   (  3.498, -21.802,  -5.738)  (  3.500, -21.801,  -5.738)  ( 0.04,  0.01,  0.00)
164:     strbnd  ( 11.124,   5.598,   1.224)  ( 11.124,   5.598,   1.224)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.010,   0.214,  -0.783)  ( -0.010,   0.214,  -0.782)  ( 0.00,  0.00,  0.10)
164:     oop     ( -0.007,   0.075,  -0.292)  ( -0.006,   0.062,  -0.242)  ( 0.00,  0.09,  1.46)
164:     vdw     ( -8.946,  -9.231,  -4.972)  ( -8.946,  -9.231,  -4.972)  ( 0.00,  0.00,  0.00)
164:     electro (  1.819,  -0.598,  -0.177)  (  1.819,  -0.598,  -0.177)  ( 0.00,  0.00,  0.00)
164: 14       (-13.572,  -2.062,   4.766)  (-13.566,  -2.037,   4.696)  ( 0.04,  1.21,  1.46)
164:     bond    (-26.978,  13.126,   4.300)  (-26.972,  13.131,   4.300)  ( 0.02,  0.03,  0.01)
164:     angle   (-18.118,  -9.493,   4.254)  (-18.116,  -9.491,   4.254)  ( 0.01,  0.02,  0.00)
164:     strbnd  ( 29.827,  -3.579,  -1.396)  ( 29.826,  -3.579,  -1.395)  ( 0.00,  0.00,  0.01)
164:     torsion ( -0.134,  -1.037,   2.744)  ( -0.134,  -1.037,   2.746)  ( 0.00,  0.01,  0.04)
164:     oop     (  0.011,  -0.106,   0.410)  (  0.009,  -0.087,   0.339)  ( 0.00,  0.20,  2.94)
164:     vdw     (  1.699,  -1.418,  -5.301)  (  1.699,  -1.418,  -5.301)  ( 0.01,  0.01,  0.00)
164:     electro (  0.121,   0.445,  -0.246)  (  0.121,   0.445,  -0.246)  ( 0.00,  0.00,  0.00)
164: 15       ( 12.500, -13.787,  -4.766)  ( 12.462, -13.787,  -4.588)  ( 0.30,  0.01,  3.74)
164:     bond    ( -5.136, -10.558,  -3.032)  ( -5.131, -10.553,  -3.032)  ( 0.09,  0.04,  0.02)
164:     angle   (  2.758, -11.175,   3.017)  (  2.760, -11.174,   3.017)  ( 0.07,  0.02,  0.00)
164:     strbnd  (  9.858,  -2.806,  -1.156)  (  9.859,  -2.806,  -1.156)  ( 0.00,  0.00,  0.01)
164:     torsion ( -0.006,   0.855,  -3.398)  ( -0.006,   0.855,  -3.397)  ( 0.00,  0.01,  0.04)
164:     oop     (  0.274,   0.043,  -1.066)  (  0.229,   0.036,  -0.889)  ( 1.23,  0.03, 16.55)
164:     vdw     (  6.480,   9.337,   1.077)  (  6.480,   9.337,   1.077)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.729,   0.517,  -0.209)  ( -1.729,   0.517,  -0.209)  ( 0.00,  0.00,  0.00)
164: 16       (-16.865,  18.909,   6.325)  (-16.857,  18.931,   6.271)  ( 0.04,  0.12,  0.85)
164:     bond    (  8.237,  -4.438,  -0.410)  (  8.242,  -4.433,  -0.410)  ( 0.06,  0.11,  0.02)
164:     angle   (-15.113,  19.214,   5.231)  (-15.111,  19.215,   5.231)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -4.665,  -2.331,  -0.554)  ( -4.666,  -2.331,  -0.554)  ( 0.00,  0.01,  0.00)
164:     torsion (  0.007,   0.399,  -1.363)  (  0.007,   0.399,  -1.362)  ( 0.00,  0.00,  0.09)
164:     oop     ( -0.002,  -0.093,   0.333)  ( -0.001,  -0.078,   0.278)  ( 0.00,  0.14,  1.84)
164:     vdw     ( -7.680,   8.051,   3.527)  ( -7.680,   8.051,   3.527)  ( 0.00,  0.00,  0.00)
164:     electro (  2.351,  -1.893,  -0.439)  (  2.351,  -1.893,  -0.439)  ( 0.00,  0.00,  0.00)
164: 17       ( -6.733,  21.609,   7.933)  ( -6.728,  21.608,   7.955)  ( 0.08,  0.00,  0.28)
164:     bond    (  2.115,   1.161,  -0.091)  (  2.119,   1.164,  -0.091)  ( 0.20,  0.31,  0.00)
164:     angle   ( 25.721,  28.686,   2.043)  ( 25.721,  28.687,   2.043)  ( 0.00,  0.00,  0.01)
164:     strbnd  (-34.795,  -0.918,   2.926)  (-34.795,  -0.918,   2.926)  ( 0.00,  0.00,  0.01)
164:     torsion (  0.088,  -0.609,   5.097)  (  0.088,  -0.609,   5.098)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.003,   0.029,  -0.113)  ( -0.002,   0.024,  -0.092)  ( 0.00,  0.02,  0.25)
164:     vdw     (  0.333,  -8.190,  -5.814)  (  0.333,  -8.190,  -5.813)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.192,   1.450,   3.884)  ( -0.192,   1.450,   3.884)  ( 0.00,  0.00,  0.00)
164: 18       (  5.790, -10.626,  -8.101)  (  5.796, -10.620,  -8.095)  ( 0.10,  0.05,  0.07)
164:     bond    (  8.725, -11.934,  -3.140)  (  8.729, -11.929,  -3.136)  ( 0.04,  0.04,  0.13)
164:     angle   ( -9.764,  -7.159,  -6.067)  ( -9.762,  -7.157,  -6.065)  ( 0.02,  0.03,  0.03)
164:     strbnd  ( -5.015,  10.337,   3.735)  ( -5.015,  10.336,   3.735)  ( 0.00,  0.02,  0.02)
164:     torsion ( -0.197,   1.065,  -2.228)  ( -0.197,   1.065,  -2.228)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( 10.854,  -1.808,   0.220)  ( 10.854,  -1.808,   0.220)  ( 0.00,  0.00,  0.00)
164:     electro (  1.186,  -1.127,  -0.621)  (  1.186,  -1.127,  -0.621)  ( 0.00,  0.00,  0.00)
164: 19       (  3.262, -11.126,   7.782)  (  3.268, -11.121,   7.787)  ( 0.17,  0.05,  0.06)
164:     bond    (  1.121,  -2.081,   3.281)  (  1.125,  -2.077,   3.285)  ( 0.37,  0.19,  0.12)
164:     angle   ( -4.420,  -2.772,   7.469)  ( -4.418,  -2.771,   7.471)  ( 0.04,  0.06,  0.02)
164:     strbnd  (  0.275,   1.768,  -3.446)  (  0.274,   1.768,  -3.447)  ( 0.01,  0.03,  0.03)
164:     torsion (  2.173,  -4.215,  -2.094)  (  2.173,  -4.215,  -2.094)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.113,  -3.826,   2.573)  (  4.113,  -3.826,   2.573)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 20       ( -7.022,  36.733,  -5.283)  ( -6.843,  36.719,  -5.733)  ( 2.56,  0.04,  8.53)
164:     bond    (-25.048,  -5.303,  -9.231)  (-25.043,  -5.295,  -9.230)  ( 0.02,  0.16,  0.01)
164:     angle   ( 27.154,  45.020,   3.962)  ( 27.157,  45.022,   3.962)  ( 0.01,  0.01,  0.00)
164:     strbnd  ( -8.325,   2.343,  -3.287)  ( -8.326,   2.342,  -3.287)  ( 0.01,  0.03,  0.00)
164:     torsion ( -0.784,   0.421,   0.853)  ( -0.784,   0.421,   0.855)  ( 0.01,  0.00,  0.10)
164:     oop     ( -1.005,   0.148,   2.652)  ( -0.833,   0.123,   2.200)  (17.14,  0.37, 17.06)
164:     vdw     ( -7.531,  -5.686,  -2.010)  ( -7.531,  -5.686,  -2.010)  ( 0.00,  0.00,  0.00)
164:     electro (  8.518,  -0.209,   1.778)  (  8.518,  -0.209,   1.778)  ( 0.00,  0.00,  0.00)
164: 21       (-22.969,  25.239, -11.051)  (-22.997,  25.251, -10.962)  ( 0.12,  0.05,  0.80)
164:     bond    (  1.411,  -0.192,   0.529)  (  1.413,  -0.184,   0.530)  ( 0.16,  0.16,  0.02)
164:     angle   (-46.884,  20.267, -18.839)  (-46.882,  20.268, -18.839)  ( 0.00,  0.00,  0.00)
164:     strbnd  ( 12.752,   3.510,   4.513)  ( 12.751,   3.510,   4.513)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.598,   0.098,   1.696)  ( -0.597,   0.098,   1.697)  ( 0.01,  0.00,  0.05)
164:     oop     (  0.246,  -0.028,  -0.654)  (  0.213,  -0.025,  -0.567)  ( 0.80,  0.01,  5.70)
164:     vdw     (  4.514,   7.067,  -1.941)  (  4.514,   7.067,  -1.941)  ( 0.00,  0.00,  0.00)
164:     electro (  5.590,  -5.484,   3.645)  (  5.590,  -5.484,   3.645)  ( 0.00,  0.00,  0.00)
164: 22       ( 25.973,  -4.939,  11.390)  ( 25.954,  -4.927,  11.463)  ( 0.08,  0.25,  0.64)
164:     bond    (  5.877,  -7.278,   2.737)  (  5.883,  -7.273,   2.738)  ( 0.10,  0.07,  0.03)
164:     angle   ( 43.794,  -7.031,  17.104)  ( 43.796,  -7.028,  17.104)  ( 0.00,  0.03,  0.00)
164:     strbnd  (-22.680,  -3.722,  -8.477)  (-22.681,  -3.722,  -8.477)  ( 0.00,  0.01,  0.00)
164:     torsion (  0.130,  -0.036,  -0.336)  (  0.130,  -0.036,  -0.335)  ( 0.00,  0.00,  0.04)
164:     oop     (  0.109,  -0.020,  -0.288)  (  0.082,  -0.015,  -0.218)  ( 0.29,  0.01,  2.03)
164:     vdw     ( -2.056,  15.026,   0.263)  ( -2.056,  15.026,   0.263)  ( 0.00,  0.00,  0.00)
164:     electro (  0.800,  -1.878,   0.388)  (  0.800,  -1.878,   0.388)  ( 0.00,  0.00,  0.00)
164: 23       (-28.137, -37.839,  -8.334)  (-28.148, -37.828,  -8.283)  ( 0.04,  0.03,  0.61)
164:     bond    ( -0.604, -30.983,   1.773)  ( -0.599, -30.977,   1.774)  ( 0.32,  0.02,  0.05)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zmb_pxb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zmh_nya.sdf
166:     bond    (-12.958,  14.537,  15.529)  (-12.956,  14.540,  15.533)  ( 0.02,  0.02,  0.03)
166:     angle   (  5.486, -21.711, -16.528)  (  5.488, -21.709, -16.526)  ( 0.04,  0.01,  0.01)
166:     strbnd  (  4.156,   8.341,  -1.058)  (  4.155,   8.340,  -1.059)  ( 0.02,  0.01,  0.04)
166:     torsion (  0.521,  -0.105,  -0.116)  (  0.521,  -0.105,  -0.116)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.814,  -1.090,   2.040)  (  2.814,  -1.090,   2.040)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 13       ( -0.345,  -0.098,  -0.425)  ( -0.340,  -0.093,  -0.420)  ( 0.16,  0.05,  0.21)
166:     bond    ( 19.196, -25.927,  -5.472)  ( 19.199, -25.923,  -5.468)  ( 0.02,  0.01,  0.07)
166:     angle   (-20.973,  31.110,   6.384)  (-20.971,  31.112,   6.386)  ( 0.01,  0.01,  0.03)
166:     strbnd  ( -1.801,  -4.659,   1.967)  ( -1.802,  -4.660,   1.966)  ( 0.04,  0.02,  0.03)
166:     torsion (  2.190,  -1.303,  -1.287)  (  2.190,  -1.303,  -1.287)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.043,   0.681,  -2.017)  (  1.043,   0.681,  -2.017)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 14       ( -0.307,  -0.668,  -1.189)  ( -0.302,  -0.663,  -1.183)  ( 0.14,  0.32,  0.49)
166:     bond    (-22.467,  22.959, -11.970)  (-22.463,  22.963, -11.965)  ( 0.01,  0.02,  0.04)
166:     angle   ( 20.677, -26.111,   8.252)  ( 20.679, -26.109,   8.254)  ( 0.01,  0.01,  0.02)
166:     strbnd  (  1.372,  -1.663,  -0.432)  (  1.371,  -1.664,  -0.432)  ( 0.07,  0.05,  0.02)
166:     torsion ( -0.738,   1.381,   1.027)  ( -0.738,   1.381,   1.027)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.849,   2.766,   1.934)  (  0.849,   2.766,   1.934)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 15       ( -0.779,  -0.703,  -0.742)  ( -0.774,  -0.698,  -0.735)  ( 0.36,  0.34,  0.45)
166:     bond    ( 11.046, -27.491,   7.813)  ( 11.049, -27.488,   7.817)  ( 0.03,  0.01,  0.06)
166:     angle   (-13.695,  29.364,  -9.854)  (-13.693,  29.366,  -9.852)  ( 0.01,  0.01,  0.02)
166:     strbnd  ( -1.160,   1.909,  -1.027)  ( -1.161,   1.909,  -1.027)  ( 0.08,  0.04,  0.03)
166:     torsion (  0.502,  -0.879,  -1.143)  (  0.502,  -0.879,  -1.143)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.527,  -3.606,   3.470)  (  2.528,  -3.606,   3.470)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 16       ( -1.065,  -0.614,   1.036)  ( -1.061,  -0.609,   1.042)  ( 0.45,  0.30,  0.57)
166:     bond    ( -9.763,  20.766,  -9.836)  ( -9.759,  20.769,  -9.832)  ( 0.04,  0.02,  0.05)
166:     angle   (  9.857, -21.778,   9.882)  (  9.859, -21.776,   9.884)  ( 0.02,  0.01,  0.02)
166:     strbnd  (  0.357,   0.332,   0.998)  (  0.356,   0.331,   0.998)  ( 0.03,  0.03,  0.03)
166:     torsion ( -0.978,   0.700,   0.353)  ( -0.978,   0.700,   0.353)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.539,  -0.634,  -0.360)  ( -0.539,  -0.634,  -0.360)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 17       ( -1.087,  -1.069,   0.177)  ( -1.083,  -1.064,   0.183)  ( 0.43,  0.46,  0.10)
166:     bond    ( -1.901, -13.454,  13.464)  ( -1.897, -13.450,  13.468)  ( 0.18,  0.03,  0.03)
166:     angle   (  1.193,   9.826, -16.679)  (  1.195,   9.828, -16.677)  ( 0.18,  0.02,  0.01)
166:     strbnd  ( -3.337,   0.795,   1.409)  ( -3.338,   0.794,   1.408)  ( 0.03,  0.08,  0.02)
166:     torsion (  0.974,   1.005,   1.909)  (  0.974,   1.005,   1.909)  ( 0.00,  0.01,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.983,   0.759,   0.074)  (  1.983,   0.759,   0.074)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 18       ( -0.972,  -1.131,   0.537)  ( -0.966,  -1.126,   0.543)  ( 0.57,  0.45,  0.31)
166:     bond    (  8.970,  -7.168,  -3.472)  (  8.974,  -7.164,  -3.467)  ( 0.05,  0.06,  0.13)
166:     angle   ( -7.660,   2.779,   4.648)  ( -7.658,   2.781,   4.650)  ( 0.02,  0.07,  0.04)
166:     strbnd  ( -0.534,  -1.586,   1.106)  ( -0.535,  -1.587,   1.106)  ( 0.03,  0.05,  0.04)
166:     torsion ( -0.534,  -0.161,  -0.695)  ( -0.534,  -0.161,  -0.695)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.214,   5.005,  -1.050)  ( -1.214,   5.005,  -1.050)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 19       ( -0.892,  -1.390,  -0.413)  ( -0.887,  -1.384,  -0.407)  ( 0.44,  0.43,  0.23)
166:     bond    (-14.431,   0.239,  -5.354)  (-14.427,   0.243,  -5.350)  ( 0.03,  0.11,  0.08)
166:     angle   (  5.190,  -0.465,   6.381)  (  5.192,  -0.463,   6.382)  ( 0.04,  0.09,  0.03)
166:     strbnd  (  2.347,  -0.745,   1.442)  (  2.346,  -0.746,   1.441)  ( 0.04,  0.03,  0.03)
166:     torsion (  0.871,  -0.786,  -1.907)  (  0.871,  -0.786,  -1.907)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  5.131,   0.367,  -0.974)  (  5.131,   0.367,  -0.974)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 20       ( -1.255,   0.127,  -0.110)  ( -1.249,   0.133,  -0.106)  ( 0.48,  0.08,  0.05)
166:     bond    (  4.252,  -7.565,  15.329)  (  4.256,  -7.560,  15.333)  ( 0.11,  0.06,  0.03)
166:     angle   (  1.408,   3.130,  -7.552)  (  1.409,   3.132,  -7.550)  ( 0.13,  0.06,  0.03)
166:     strbnd  (  0.392,   0.525,  -4.232)  (  0.392,   0.524,  -4.233)  ( 0.02,  0.03,  0.02)
166:     torsion ( -2.747,   1.008,   0.725)  ( -2.747,   1.008,   0.725)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -4.560,   3.029,  -4.380)  ( -4.560,   3.029,  -4.380)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 21       (  0.264,   0.125,  -0.017)  (  0.269,   0.129,  -0.012)  ( 0.13,  0.06,  0.01)
166:     bond    ( 20.008,  -3.510,  -2.218)  ( 20.012,  -3.507,  -2.215)  ( 0.02,  0.09,  0.15)
166:     angle   (-15.231,  -7.030,   0.649)  (-15.229,  -7.028,   0.651)  ( 0.01,  0.03,  0.15)
166:     strbnd  ( -8.351,  11.149,   4.002)  ( -8.352,  11.148,   4.001)  ( 0.01,  0.01,  0.02)
166:     torsion (  1.984,  -2.010,  -1.712)  (  1.984,  -2.010,  -1.712)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.854,   1.526,  -0.737)  (  1.854,   1.526,  -0.737)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 22       (  0.427,   0.342,  -0.042)  (  0.433,   0.348,  -0.037)  ( 0.25,  0.20,  0.02)
166:     bond    (  4.959,  -8.811, -19.046)  (  4.964,  -8.806, -19.042)  ( 0.09,  0.05,  0.02)
166:     angle   ( -3.781,   3.630,  13.839)  ( -3.779,   3.632,  13.841)  ( 0.05,  0.05,  0.01)
166:     strbnd  (  1.990,  -1.284,  -2.382)  (  1.989,  -1.285,  -2.383)  ( 0.02,  0.04,  0.04)
166:     torsion ( -0.424,  -0.578,   0.131)  ( -0.424,  -0.578,   0.131)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.317,   7.386,   7.417)  ( -2.317,   7.386,   7.417)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 23       (  0.262,   0.237,   0.013)  (  0.267,   0.243,   0.019)  ( 0.12,  0.14,  0.01)
166:     bond    ( -9.101, -14.027,  14.486)  ( -9.097, -14.023,  14.490)  ( 0.04,  0.03,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zmi_tt2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zmj_mi4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zmm_35b.sdf
168:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
168:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
168:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
168:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
168:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
168:     electro (  0.012,  -0.260,   0.065)  (  0.012,  -0.260,   0.065)  ( 0.00,  0.00,  0.00)
168: 13       (  2.460,  -6.087,   1.095)  (  2.467,  -6.080,   1.098)  ( 0.27,  0.12,  0.31)
168:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
168:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
168:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
168:     electro (  0.099,   0.153,  -0.002)  (  0.099,   0.153,  -0.002)  ( 0.00,  0.00,  0.00)
168: 14       ( -0.730,  -2.358,   0.160)  ( -0.723,  -2.352,   0.165)  ( 0.49,  0.28,  0.07)
168:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
168:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
168:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
168:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.202,   0.073,  -0.025)  ( -0.202,   0.073,  -0.025)  ( 0.00,  0.00,  0.00)
168: 15       (  2.261,  -0.162,   0.226)  (  2.268,  -0.156,   0.225)  ( 0.30,  0.10,  0.02)
168:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
168:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
168:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
168:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
168:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
168:     electro (  0.256,  -0.023,   0.038)  (  0.256,  -0.023,   0.038)  ( 0.00,  0.00,  0.00)
168: 16       ( 12.486,   1.008,   1.043)  ( 12.490,   1.019,   1.066)  ( 0.04,  1.05,  2.16)
168:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
168:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
168:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
168:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
168:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.038,   0.307,  -0.033)  ( -0.038,   0.307,  -0.033)  ( 0.00,  0.00,  0.00)
168: 17       (-13.149,  41.872,  -7.596)  (-13.137,  41.873,  -7.641)  ( 0.08,  0.00,  0.59)
168:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
168:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
168:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
168:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
168:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.100,  -0.286,  -0.023)  ( -0.100,  -0.286,  -0.023)  ( 0.00,  0.00,  0.00)
168: 18       ( 44.495,  -1.551,   2.301)  ( 44.490,  -1.525,   2.423)  ( 0.01,  1.69,  5.31)
168:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
168:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
168:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
168:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
168:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
168:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.078,   0.101,  -0.023)  ( -0.078,   0.101,  -0.023)  ( 0.00,  0.00,  0.00)
168: 19       ( 69.047,  18.195,  -0.422)  ( 69.073,  18.159,  -0.719)  ( 0.04,  0.20, 12.52)
168:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
168:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
168:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
168:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
168:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
168:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.186,  -0.044,   0.051)  ( -0.186,  -0.044,   0.051)  ( 0.00,  0.00,  0.00)
168: 20       (-66.666,   1.027,  -3.814)  (-66.673,   1.059,  -3.645)  ( 0.01,  3.11,  4.42)
168:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
168:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
168:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
168:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
168:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
168:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
168:     electro (  0.371,  -0.228,   0.325)  (  0.371,  -0.228,   0.325)  ( 0.00,  0.00,  0.00)
168: 21       (-41.992, -33.111,   1.581)  (-41.994, -33.087,   1.701)  ( 0.00,  0.07,  7.60)
168:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
168:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
168:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
168:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
168:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
168:     electro ( -1.339,  -0.127,   0.128)  ( -1.339,  -0.127,   0.128)  ( 0.00,  0.00,  0.00)
168: 22       (-10.516,   3.652,  -0.202)  (-10.513,   3.656,  -0.202)  ( 0.02,  0.11,  0.01)
168:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
168:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
168:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
168:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
168:     electro (  2.494,  -0.076,  -0.023)  (  2.494,  -0.076,  -0.023)  ( 0.00,  0.00,  0.00)
168: 23       (  1.691,   0.137,   0.101)  (  1.691,   0.137,   0.111)  ( 0.01,  0.00,  0.10)
168:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zn7_410.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zno_s44.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2znp_k55.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2znq_401.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zoq_5id.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zox_png.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zp0_pi0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zp1_iyr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zq2_13u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zsi_ga4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zt5_b4p.sdf
168:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
168:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
168:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.200,  -0.165,  -0.054)  ( -0.200,  -0.165,  -0.054)  ( 0.00,  0.00,  0.00)
168: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
168:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
168:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
168:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
168:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
168:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
168:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
168:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
168:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
168:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
168:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
168:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
168:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
168:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
168:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
168:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
168:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
168:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
168:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
168:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
168:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
168:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
168:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
168:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
168:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
168:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
168:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
168:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
168:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
168:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
168:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
168:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
168:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
168:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zt8_drv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2ztx_dtz.sdf
164:     angle   (-36.863, -14.117, -12.692)  (-36.861, -14.115, -12.691)  ( 0.01,  0.01,  0.00)
164:     strbnd  (  7.549,   3.290,   2.655)  (  7.548,   3.290,   2.655)  ( 0.01,  0.03,  0.01)
164:     torsion (  0.142,  -0.020,  -0.374)  (  0.142,  -0.020,  -0.373)  ( 0.00,  0.00,  0.04)
164:     oop     (  0.061,  -0.009,  -0.157)  (  0.042,  -0.006,  -0.109)  ( 0.11,  0.00,  0.76)
164:     vdw     (  4.758,   7.545,   1.424)  (  4.758,   7.546,   1.424)  ( 0.00,  0.00,  0.00)
164:     electro ( -3.179,  -3.546,  -0.964)  ( -3.179,  -3.546,  -0.964)  ( 0.00,  0.00,  0.00)
164: 24       (-10.794,  46.348,  -6.929)  (-10.714,  46.344,  -7.100)  ( 0.74,  0.01,  2.47)
164:     bond    ( -7.128,  36.476,  -5.032)  ( -7.118,  36.481,  -5.030)  ( 0.14,  0.02,  0.03)
164:     angle   (  3.045,   5.260,   0.441)  (  3.047,   5.262,   0.441)  ( 0.07,  0.05,  0.02)
164:     strbnd  (  3.284,   4.936,   0.917)  (  3.283,   4.934,   0.917)  ( 0.03,  0.02,  0.03)
164:     torsion ( -0.021,  -0.004,   0.079)  ( -0.021,  -0.004,   0.080)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.326,   0.056,   0.831)  ( -0.258,   0.044,   0.657)  ( 2.23,  0.06, 14.42)
164:     vdw     (  3.476,  -4.869,   1.621)  (  3.476,  -4.869,   1.621)  ( 0.00,  0.00,  0.00)
164:     electro (-13.123,   4.494,  -5.786)  (-13.123,   4.494,  -5.786)  ( 0.00,  0.00,  0.00)
164: 25       (  3.373, -52.861,   6.703)  (  3.261, -52.831,   7.013)  ( 3.32,  0.06,  4.61)
164:     bond    (  8.283,   2.133,   2.726)  (  8.290,   2.140,   2.727)  ( 0.08,  0.31,  0.03)
164:     angle   ( -6.422, -45.385,   1.001)  ( -6.420, -45.383,   1.001)  ( 0.02,  0.01,  0.03)
164:     strbnd  (-10.186,  -7.939,  -3.501)  (-10.187,  -7.938,  -3.501)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.679,  -0.052,  -1.804)  (  0.679,  -0.052,  -1.802)  ( 0.01,  0.00,  0.06)
164:     oop     (  0.701,  -0.126,  -1.797)  (  0.581,  -0.105,  -1.490)  ( 8.39,  0.25, 17.08)
164:     vdw     (  8.959,  -7.735,   8.017)  (  8.959,  -7.735,   8.017)  ( 0.00,  0.01,  0.00)
164:     electro (  1.360,   6.242,   2.061)  (  1.360,   6.242,   2.061)  ( 0.00,  0.00,  0.00)
164: 26       (-24.717, -18.946,  -4.036)  (-24.728, -18.935,  -3.986)  ( 0.04,  0.06,  1.24)
164:     bond    (-24.696,   9.518, -10.388)  (-24.690,   9.523, -10.387)  ( 0.03,  0.05,  0.01)
164:     angle   ( -7.991, -22.014,  -4.231)  ( -7.989, -22.012,  -4.230)  ( 0.02,  0.01,  0.01)
164:     strbnd  (  7.348,  -6.906,   2.805)  (  7.348,  -6.906,   2.805)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.081,  -0.067,  -0.270)  (  0.081,  -0.067,  -0.270)  ( 0.00,  0.00,  0.02)
164:     oop     (  0.110,  -0.023,  -0.279)  (  0.091,  -0.019,  -0.231)  ( 0.20,  0.01,  1.33)
164:     vdw     (  0.759,  -0.386,   8.493)  (  0.759,  -0.386,   8.493)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.328,   0.932,  -0.167)  ( -0.328,   0.932,  -0.167)  ( 0.00,  0.00,  0.00)
164: 27       ( 43.032,  25.104,  14.730)  ( 43.049,  25.107,  14.703)  ( 0.04,  0.01,  0.19)
164:     bond    ( 18.803,  -4.833,   7.511)  ( 18.809,  -4.830,   7.512)  ( 0.03,  0.06,  0.01)
164:     angle   ( 18.124,  40.689,   3.688)  ( 18.124,  40.692,   3.688)  ( 0.00,  0.01,  0.00)
164:     strbnd  (  3.463, -10.759,   2.073)  (  3.463, -10.760,   2.073)  ( 0.01,  0.01,  0.00)
164:     torsion (  0.026,  -0.003,  -0.071)  (  0.026,  -0.003,  -0.071)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.076,   0.016,   0.200)  ( -0.065,   0.014,   0.171)  ( 0.09,  0.00,  0.58)
164:     vdw     (  0.932,  -1.439,   0.904)  (  0.932,  -1.439,   0.904)  ( 0.01,  0.00,  0.00)
164:     electro (  1.760,   1.432,   0.427)  (  1.760,   1.432,   0.427)  ( 0.00,  0.00,  0.00)
164: 28       ( 11.894, -38.621,   7.172)  ( 11.897, -38.613,   7.186)  ( 0.02,  0.02,  0.20)
164:     bond    ( 10.457,  12.301,   2.949)  ( 10.462,  12.307,   2.950)  ( 0.05,  0.05,  0.03)
164:     angle   ( -9.168, -55.992,   0.592)  ( -9.166, -55.990,   0.592)  ( 0.03,  0.00,  0.03)
164:     strbnd  ( 10.254,   8.892,   3.121)  ( 10.253,   8.891,   3.121)  ( 0.01,  0.01,  0.00)
164:     torsion ( -0.078,   0.016,   0.208)  ( -0.078,   0.016,   0.209)  ( 0.00,  0.00,  0.01)
164:     oop     (  0.033,  -0.007,  -0.088)  (  0.029,  -0.006,  -0.076)  ( 0.02,  0.00,  0.11)
164:     vdw     (  0.152,   1.397,  -0.108)  (  0.152,   1.397,  -0.108)  ( 0.00,  0.00,  0.00)
164:     electro (  0.245,  -5.228,   0.497)  (  0.245,  -5.228,   0.497)  ( 0.00,  0.00,  0.00)
164: 29       ( 12.404,   3.421,   4.782)  ( 12.393,   3.426,   4.831)  ( 0.09,  0.14,  1.01)
164:     bond    (  4.738,  -2.006,   1.986)  (  4.745,  -2.005,   1.987)  ( 0.15,  0.06,  0.06)
164:     angle   (  4.344,  11.246,   0.976)  (  4.344,  11.247,   0.976)  ( 0.00,  0.01,  0.00)
164:     strbnd  (  8.204,  -1.157,   3.293)  (  8.204,  -1.157,   3.293)  ( 0.00,  0.02,  0.00)
164:     torsion ( -0.055,   0.010,   0.143)  ( -0.055,   0.010,   0.143)  ( 0.00,  0.00,  0.00)
164:     oop     (  0.076,  -0.012,  -0.195)  (  0.058,  -0.009,  -0.148)  ( 0.14,  0.00,  0.91)
164:     vdw     ( -0.237,  -3.506,   0.148)  ( -0.237,  -3.506,   0.148)  ( 0.00,  0.00,  0.00)
164:     electro ( -4.665,  -1.154,  -1.568)  ( -4.665,  -1.154,  -1.568)  ( 0.00,  0.00,  0.00)
164: 30       ( -0.901,  29.900,  -2.380)  ( -0.892,  29.905,  -2.388)  ( 0.85,  0.02,  0.32)
164:     bond    ( -4.277,   0.277,  -1.598)  ( -4.272,   0.282,  -1.594)  ( 0.12,  0.12,  0.27)
164:     angle   ( 12.189,  27.647,   2.441)  ( 12.190,  27.649,   2.443)  ( 0.02,  0.01,  0.06)
164:     strbnd  (-12.899,  -0.004,  -4.802)  (-12.901,  -0.005,  -4.803)  ( 0.02,  0.00,  0.01)
164:     torsion ( -0.029,  -0.010,   0.078)  ( -0.029,  -0.010,   0.078)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.021,   0.004,   0.055)  ( -0.016,   0.003,   0.042)  ( 0.01,  0.00,  0.07)
164:     vdw     (  2.572,   3.686,   0.693)  (  2.572,   3.686,   0.693)  ( 0.00,  0.00,  0.00)
164:     electro (  1.563,  -1.700,   0.754)  (  1.563,  -1.700,   0.754)  ( 0.00,  0.00,  0.00)
164: 31       ( -2.541,  -1.390,   5.410)  ( -2.521,  -1.388,   5.379)  ( 0.76,  0.19,  0.57)
164:     bond    (  2.316,  -1.013,   0.462)  (  2.320,  -1.009,   0.466)  ( 0.17,  0.39,  0.18)
164:     angle   ( -1.033,  -3.283,   3.719)  ( -1.030,  -3.281,   3.721)  ( 0.20,  0.06,  0.05)
164:     strbnd  ( -1.912,   0.920,  -0.790)  ( -1.913,   0.919,  -0.791)  ( 0.04,  0.06,  0.08)
164:     torsion ( -0.089,   0.197,   0.525)  ( -0.089,   0.197,   0.525)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.059,   0.012,   0.150)  ( -0.045,   0.010,   0.114)  ( 0.08,  0.00,  0.53)
164:     vdw     ( -0.575,   2.524,   1.662)  ( -0.575,   2.524,   1.662)  ( 0.00,  0.00,  0.00)
164:     electro ( -1.188,  -0.749,  -0.319)  ( -1.188,  -0.749,  -0.319)  ( 0.00,  0.00,  0.00)
164: 32       ( -0.533,   9.885,  -5.279)  ( -0.528,   9.891,  -5.275)  ( 0.30,  0.05,  0.09)
164:     bond    ( -0.397,   0.967,   0.156)  ( -0.393,   0.971,   0.160)  ( 0.16,  0.37,  0.06)
164:     angle   (  1.310,   8.321,  -3.491)  (  1.312,   8.323,  -3.489)  ( 0.14,  0.02,  0.06)
164:     strbnd  (  0.932,  -1.664,  -0.673)  (  0.932,  -1.665,  -0.674)  ( 0.03,  0.04,  0.07)
164:     torsion ( -1.283,   1.507,   0.186)  ( -1.282,   1.508,   0.186)  ( 0.01,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.096,   0.754,  -1.457)  ( -1.096,   0.754,  -1.457)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 33       ( -0.762,  -6.186,  -6.819)  ( -0.756,  -6.181,  -6.814)  ( 0.42,  0.08,  0.08)
164:     bond    ( -0.257,   0.740,  -0.064)  ( -0.253,   0.744,  -0.060)  ( 0.11,  0.30,  0.03)
164:     angle   ( -0.057,  -7.999,  -0.743)  ( -0.055,  -7.998,  -0.742)  ( 0.01,  0.02,  0.13)
164:     strbnd  ( -0.135,   0.372,   0.957)  ( -0.135,   0.371,   0.957)  ( 0.01,  0.03,  0.07)
164:     torsion (  0.594,   0.454,  -0.563)  (  0.594,   0.454,  -0.563)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.907,   0.247,  -6.406)  ( -0.907,   0.247,  -6.406)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 34       (  3.845, -11.220,   1.372)  (  3.846, -11.218,   1.373)  ( 0.03,  0.02,  0.05)
164:     bond    (  5.169, -14.116,   0.695)  (  5.169, -14.113,   0.695)  ( 0.01,  0.02,  0.01)
164:     angle   (  3.342,   1.196,  -0.586)  (  3.343,   1.196,  -0.585)  ( 0.02,  0.01,  0.03)
164:     strbnd  ( -1.346,  -0.265,  -0.102)  ( -1.346,  -0.265,  -0.102)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zv2_609.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zvj_kom.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zwl_567.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zxc_2ed.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zxg_s23.sdf
168:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 35       (  1.245,  -1.321,   0.243)  (  1.246,  -1.318,   0.245)  ( 0.14,  0.22,  0.04)
168:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
168:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
168:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
168:     electro (  0.168,   0.031,   0.005)  (  0.168,   0.031,   0.005)  ( 0.00,  0.00,  0.00)
168: 36       ( -2.391,   0.421,  -0.415)  ( -2.388,   0.421,  -0.415)  ( 0.15,  0.03,  0.01)
168:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
168:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
168:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
168:     electro (  0.194,  -0.038,   0.022)  (  0.194,  -0.038,   0.022)  ( 0.00,  0.00,  0.00)
168: 37       ( -1.434,   2.065,  -0.475)  ( -1.433,   2.068,  -0.473)  ( 0.07,  0.16,  0.09)
168:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
168:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
168:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.004,  -0.149,   0.017)  ( -0.004,  -0.149,   0.017)  ( 0.00,  0.00,  0.00)
168: 38       (  1.261,  -0.145,   0.322)  (  1.263,  -0.142,   0.326)  ( 0.13,  0.04,  0.10)
168:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
168:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
168:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.324,   0.454,  -0.114)  ( -0.324,   0.454,  -0.114)  ( 0.00,  0.00,  0.00)
168: 39       (  8.893, -15.193,   1.966)  (  8.900, -15.196,   1.907)  ( 0.09,  0.02,  2.99)
168:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
168:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
168:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
168:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.565,   0.871,  -0.073)  ( -1.565,   0.871,  -0.073)  ( 0.00,  0.00,  0.00)
168: ok 2 # gradients 
168: ok 3 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zxm_jb1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zxn_jc1.sdf
168:  1       (  1.985,   1.075,   0.562)  (  1.994,   1.082,   0.564)  ( 0.43,  0.62,  0.10)
168:     bond    (  5.237,   0.172,   1.390)  (  5.245,   0.178,   1.391)  ( 0.15,  0.09,  0.04)
168:     angle   ( -3.469,   1.277,  -0.875)  ( -3.468,   1.279,  -0.875)  ( 0.03,  0.14,  0.01)
168:     strbnd  (  1.478,   0.534,   0.407)  (  1.477,   0.533,   0.407)  ( 0.04,  0.03,  0.00)
168:     torsion ( -0.001,  -0.000,   0.002)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.604,  -0.435,  -0.173)  ( -0.604,  -0.435,  -0.173)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.656,  -0.472,  -0.188)  ( -0.656,  -0.472,  -0.188)  ( 0.00,  0.00,  0.00)
168:  2       ( -0.035,   0.614,  -0.000)  ( -0.026,   0.621,   0.002)  ( 0.03,  0.42,  0.00)
168:     bond    ( -4.097,   4.193,  -0.946)  ( -4.089,   4.199,  -0.946)  ( 0.20,  0.13,  0.06)
168:     angle   (  6.070,  -3.235,   1.494)  (  6.071,  -3.233,   1.494)  ( 0.02,  0.06,  0.02)
168:     strbnd  ( -2.009,  -0.344,  -0.542)  ( -2.010,  -0.344,  -0.542)  ( 0.03,  0.02,  0.00)
168:     torsion (  0.001,   0.000,  -0.005)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,   0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  3       (  0.889,   0.122,   0.242)  (  0.890,   0.124,   0.242)  ( 0.13,  0.03,  0.01)
168:     bond    (  1.119,   1.704,   0.350)  (  1.120,   1.706,   0.350)  ( 0.10,  0.15,  0.00)
168:     angle   (  1.146,  -0.809,   0.277)  (  1.146,  -0.809,   0.277)  ( 0.03,  0.02,  0.00)
168:     strbnd  ( -0.382,  -0.759,  -0.125)  ( -0.382,  -0.759,  -0.125)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.001,  -0.000,   0.003)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.717,  -0.020,  -0.190)  ( -0.717,  -0.020,  -0.190)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.275,   0.006,  -0.072)  ( -0.275,   0.006,  -0.072)  ( 0.00,  0.00,  0.00)
168:  4       (  0.533,  -0.554,   0.119)  (  0.534,  -0.551,   0.119)  ( 0.07,  0.16,  0.00)
168:     bond    (  1.259,  -2.407,   0.256)  (  1.260,  -2.404,   0.256)  ( 0.06,  0.12,  0.00)
168:     angle   (  2.423,   1.342,   0.683)  (  2.423,   1.343,   0.683)  ( 0.02,  0.01,  0.00)
168:     strbnd  ( -0.083,   0.405,  -0.009)  ( -0.083,   0.405,  -0.009)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.868,  -0.122,  -0.761)  ( -2.868,  -0.122,  -0.761)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.198,   0.228,  -0.045)  ( -0.198,   0.228,  -0.045)  ( 0.00,  0.00,  0.00)
168:  5       ( -1.377,  -1.164,  -0.402)  ( -1.376,  -1.161,  -0.402)  ( 0.09,  0.26,  0.01)
168:     bond    ( -0.396,   0.799,  -0.079)  ( -0.395,   0.802,  -0.079)  ( 0.03,  0.24,  0.00)
168:     angle   ( -2.535,  -1.318,  -0.711)  ( -2.535,  -1.318,  -0.711)  ( 0.02,  0.01,  0.00)
168:     strbnd  (  0.514,  -0.809,   0.110)  (  0.514,  -0.809,   0.110)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.000,   0.000,  -0.002)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.567,  -0.187,   0.144)  (  0.567,  -0.187,   0.144)  ( 0.00,  0.00,  0.00)
168:     electro (  0.472,   0.351,   0.136)  (  0.472,   0.351,   0.136)  ( 0.00,  0.00,  0.00)
168:  6       ( -2.292,  -0.999,  -0.620)  ( -2.286,  -0.988,  -0.619)  ( 0.27,  1.07,  0.09)
168:     bond    ( -3.396,  -4.839,  -1.050)  ( -3.390,  -4.829,  -1.049)  ( 0.15,  0.21,  0.05)
168:     angle   ( -3.250,   2.439,  -0.769)  ( -3.249,   2.440,  -0.768)  ( 0.03,  0.02,  0.06)
168:     strbnd  (  0.484,   0.974,   0.159)  (  0.484,   0.974,   0.159)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.001,  -0.000,   0.004)  ( -0.001,  -0.000,   0.004)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.977,   0.183,   0.792)  (  2.977,   0.183,   0.792)  ( 0.00,  0.00,  0.00)
168:     electro (  0.894,   0.243,   0.244)  (  0.894,   0.243,   0.244)  ( 0.00,  0.00,  0.00)
168:  7       (  0.265,   0.865,   0.092)  (  0.269,   0.873,   0.093)  ( 0.11,  0.67,  0.01)
168:     bond    (  0.245,   0.341,   0.076)  (  0.249,   0.348,   0.077)  ( 0.10,  0.26,  0.00)
168:     angle   ( -0.389,   0.299,  -0.100)  ( -0.389,   0.299,  -0.099)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.646,   0.581,   0.189)  (  0.646,   0.581,   0.189)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.237,  -0.356,  -0.074)  ( -0.237,  -0.356,  -0.074)  ( 0.00,  0.00,  0.00)
168: ok 4 # gradients 
168: ok 5 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zxz_p26.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zy0_21p.sdf
168:  1       (  0.639,   0.075,  -0.164)  (  0.645,   0.078,  -0.160)  ( 0.33,  0.02,  0.07)
168:     bond    (  4.786,   0.643,  -1.120)  (  4.790,   0.648,  -1.116)  ( 0.08,  0.30,  0.40)
168:     angle   ( -4.248,  -1.205,   2.065)  ( -4.246,  -1.204,   2.067)  ( 0.04,  0.13,  0.09)
168:     strbnd  (  1.309,   0.175,  -0.296)  (  1.308,   0.175,  -0.297)  ( 0.05,  0.01,  0.02)
168:     torsion (  0.038,  -0.180,   0.270)  (  0.038,  -0.180,   0.270)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,   0.019,   0.011)  ( -0.000,   0.016,   0.009)  ( 0.00,  0.01,  0.00)
168:     vdw     ( -0.992,   0.534,  -0.937)  ( -0.992,   0.534,  -0.937)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.255,   0.090,  -0.157)  ( -0.255,   0.090,  -0.157)  ( 0.00,  0.00,  0.00)
168:  2       (  0.112,  -0.042,   0.049)  (  0.120,  -0.042,   0.054)  ( 0.08,  0.00,  0.03)
168:     bond    ( -6.313,   3.829,  -6.633)  ( -6.307,   3.832,  -6.625)  ( 0.09,  0.07,  0.12)
168:     angle   ( 14.795,   1.490,  -2.461)  ( 14.798,   1.491,  -2.460)  ( 0.02,  0.05,  0.06)
168:     strbnd  ( -8.362,  -5.365,   9.214)  ( -8.362,  -5.366,   9.212)  ( 0.01,  0.01,  0.02)
168:     torsion ( -0.008,  -0.021,  -0.086)  ( -0.008,  -0.021,  -0.086)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,   0.026,   0.015)  (  0.000,   0.022,   0.012)  ( 0.00,  0.01,  0.00)
168:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  3       ( -2.634,   4.586,  -7.960)  ( -2.632,   4.583,  -7.958)  ( 0.10,  0.07,  0.03)
168:     bond    ( -1.795,  -1.762,   3.022)  ( -1.793,  -1.760,   3.028)  ( 0.11,  0.11,  0.18)
168:     angle   ( -8.883,   2.272,  -3.938)  ( -8.882,   2.272,  -3.938)  ( 0.01,  0.00,  0.00)
168:     strbnd  (  5.080,   5.487,  -9.440)  (  5.080,   5.487,  -9.440)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.000,  -0.052,  -0.030)  (  0.000,  -0.052,  -0.030)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,   0.025,   0.014)  ( -0.000,   0.020,   0.012)  ( 0.00,  0.01,  0.00)
168:     vdw     (  2.113,   0.148,  -0.250)  (  2.113,   0.148,  -0.250)  ( 0.00,  0.00,  0.00)
168:     electro (  0.850,  -1.532,   2.661)  (  0.850,  -1.532,   2.661)  ( 0.00,  0.00,  0.00)
168:  4       ( -0.053,  -0.027,   0.018)  ( -0.044,   0.028,   0.054)  ( 0.05,  0.15,  0.06)
168:     bond    (  1.797,  -0.285,   0.335)  (  1.804,  -0.284,   0.341)  ( 0.39,  0.05,  0.18)
168:     angle   ( -6.314,   1.453,  -2.828)  ( -6.313,   1.453,  -2.827)  ( 0.03,  0.02,  0.04)
168:     strbnd  (  0.607,  -1.012,   1.791)  (  0.607,  -1.012,   1.791)  ( 0.01,  0.01,  0.02)
168:     torsion (  0.002,   0.484,   0.279)  (  0.002,   0.484,   0.279)  ( 0.00,  0.02,  0.00)
168:     oop     (  0.001,  -0.313,  -0.179)  (  0.001,  -0.260,  -0.148)  ( 0.00,  1.66,  0.54)
168:     vdw     (  3.855,  -0.353,   0.619)  (  3.855,  -0.353,   0.619)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  5       ( -0.729,  -1.632,   2.845)  ( -0.727,  -1.654,   2.835)  ( 0.10,  1.35,  0.35)
168:     bond    ( -2.157,  -2.229,   3.948)  ( -2.156,  -2.228,   3.951)  ( 0.04,  0.04,  0.08)
168:     angle   ( -0.484,   0.182,  -0.161)  ( -0.483,   0.182,  -0.161)  ( 0.03,  0.00,  0.00)
168:     strbnd  (  0.577,   0.505,  -0.902)  (  0.577,   0.505,  -0.902)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.003,  -0.213,  -0.121)  ( -0.003,  -0.213,  -0.121)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,   0.125,   0.071)  (  0.000,   0.102,   0.058)  ( 0.00,  0.29,  0.09)
168:     vdw     (  1.088,  -0.556,   0.972)  (  1.088,  -0.556,   0.972)  ( 0.00,  0.00,  0.00)
168:     electro (  0.249,   0.553,  -0.960)  (  0.249,   0.553,  -0.960)  ( 0.00,  0.00,  0.00)
168:  6       (  2.555,  -2.666,   4.624)  (  2.560,  -2.683,   4.614)  ( 0.20,  0.63,  0.20)
168:     bond    (  3.250,   0.122,  -0.167)  (  3.255,   0.122,  -0.167)  ( 0.15,  0.00,  0.00)
168:     angle   (  0.458,  -3.605,   6.307)  (  0.458,  -3.605,   6.308)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( -0.266,  -0.042,   0.065)  ( -0.266,  -0.042,   0.065)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.001,  -0.156,  -0.091)  (  0.001,  -0.156,  -0.091)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.001,   0.118,   0.067)  ( -0.001,   0.101,   0.058)  ( 0.00,  0.20,  0.07)
168:     vdw     ( -0.044,   0.008,  -0.015)  ( -0.044,   0.008,  -0.015)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.845,   0.890,  -1.543)  ( -0.845,   0.890,  -1.543)  ( 0.00,  0.00,  0.00)
168:  7       ( -0.050,  -0.182,   0.030)  ( -0.049,  -0.179,   0.030)  ( 0.00,  0.06,  0.00)
168:     bond    (  0.021,   0.069,  -0.002)  (  0.021,   0.073,  -0.002)  ( 0.00,  0.02,  0.00)
168:     angle   (  1.553,  -0.437,   0.860)  (  1.553,  -0.437,   0.860)  ( 0.03,  0.00,  0.04)
168:     strbnd  (  0.368,   0.645,  -0.047)  (  0.368,   0.645,  -0.047)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.015,   0.001,  -0.149)  ( -0.015,   0.001,  -0.149)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.977,  -0.460,  -0.633)  ( -1.977,  -0.460,  -0.633)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  8       ( -0.053,   0.067,   0.183)  ( -0.052,   0.068,   0.186)  ( 0.00,  0.01,  0.05)
168:     bond    (  0.017,  -0.029,  -0.055)  (  0.018,  -0.028,  -0.053)  ( 0.00,  0.00,  0.01)
168:     angle   (  1.567,  -0.533,   0.815)  (  1.568,  -0.532,   0.815)  ( 0.03,  0.02,  0.01)
168:     strbnd  (  0.370,  -0.276,  -0.582)  (  0.370,  -0.276,  -0.582)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.016,   0.130,  -0.075)  ( -0.016,   0.130,  -0.075)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.992,   0.775,   0.081)  ( -1.992,   0.775,   0.081)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  9       (  0.179,  -0.202,   0.342)  (  0.180,  -0.201,   0.344)  ( 0.02,  0.02,  0.08)
168:     bond    (  0.367,  -0.375,   0.641)  (  0.368,  -0.374,   0.643)  ( 0.02,  0.03,  0.13)
168:     angle   (  1.546,   0.380,  -0.664)  (  1.547,   0.380,  -0.664)  ( 0.03,  0.01,  0.01)
168:     strbnd  (  0.317,  -0.116,   0.199)  (  0.317,  -0.116,   0.199)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.052,  -0.097,   0.162)  ( -2.052,  -0.097,   0.162)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: ok 6 # gradients 
168: ok 7 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zy1_830.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zyb_ksl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zyu_pps.sdf
168:  1       (  2.140,  -0.166,   0.754)  (  2.145,  -0.160,   0.760)  ( 0.24,  0.10,  0.43)
168:     bond    ( -4.893,   2.856,  -3.005)  ( -4.889,   2.861,  -3.000)  ( 0.09,  0.16,  0.15)
168:     angle   (  1.859,  -4.639,   2.751)  (  1.861,  -4.637,   2.752)  ( 0.10,  0.04,  0.06)
168:     strbnd  (  0.352,  -0.450,   0.642)  (  0.351,  -0.450,   0.641)  ( 0.05,  0.03,  0.04)
168:     torsion ( -0.296,  -0.439,   0.009)  ( -0.296,  -0.439,   0.009)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  5.689,   2.322,   0.608)  (  5.689,   2.322,   0.608)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.570,   0.183,  -0.250)  ( -0.570,   0.183,  -0.250)  ( 0.00,  0.00,  0.00)
168:  2       ( -0.776,  -0.622,  -0.218)  ( -0.780,  -0.606,  -0.189)  ( 0.23,  0.97,  0.62)
168:     bond    (  7.306,  -2.470,   3.157)  (  7.312,  -2.468,   3.158)  ( 0.07,  0.08,  0.02)
168:     angle   (  2.892,   8.647,  -4.003)  (  2.893,   8.648,  -4.002)  ( 0.01,  0.02,  0.01)
168:     strbnd  (-10.808,  -7.207,  -0.152)  (-10.809,  -7.207,  -0.152)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.221,   0.486,   0.955)  ( -0.221,   0.486,   0.955)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.054,  -0.078,  -0.175)  (  0.045,  -0.066,  -0.147)  ( 0.04,  0.09,  0.48)
168:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  3       (  0.077,  -0.215,  -0.263)  (  0.077,  -0.212,  -0.263)  ( 0.01,  0.07,  0.02)
168:     bond    (  0.045,   0.977,   0.187)  (  0.045,   0.980,   0.187)  ( 0.00,  0.32,  0.00)
168:     angle   ( -5.704,   0.511,  -1.299)  ( -5.703,   0.511,  -1.299)  ( 0.01,  0.00,  0.04)
168:     strbnd  ( -0.435,   0.449,  -0.226)  ( -0.435,   0.449,  -0.226)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.156,  -0.037,   0.231)  ( -0.156,  -0.037,   0.231)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  6.326,  -2.115,   0.844)  (  6.326,  -2.115,   0.844)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  4       ( -0.154,  -0.035,   0.283)  ( -0.151,  -0.034,   0.284)  ( 0.04,  0.00,  0.03)
168:     bond    ( -0.518,  -0.212,   0.225)  ( -0.515,  -0.211,   0.226)  ( 0.13,  0.01,  0.01)
168:     angle   (  0.309,  -0.045,   0.666)  (  0.310,  -0.044,   0.666)  ( 0.01,  0.00,  0.03)
168:     strbnd  ( -0.108,   0.417,  -0.398)  ( -0.108,   0.418,  -0.398)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.012,  -0.211,  -0.225)  ( -0.012,  -0.211,  -0.225)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.175,   0.014,   0.016)  (  0.175,   0.014,   0.016)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  5       ( -0.220,  -0.180,  -0.107)  ( -0.219,  -0.179,  -0.104)  ( 0.01,  0.01,  0.04)
168:     bond    (  0.005,  -0.076,  -0.456)  (  0.005,  -0.076,  -0.453)  ( 0.00,  0.00,  0.15)
168:     angle   ( -1.188,  -0.996,   0.154)  ( -1.187,  -0.996,   0.154)  ( 0.05,  0.05,  0.00)
168:     strbnd  ( -0.441,   0.249,  -0.473)  ( -0.441,   0.249,  -0.473)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.429,   0.568,  -0.091)  (  0.429,   0.568,  -0.091)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.975,   0.076,   0.758)  (  0.975,   0.076,   0.758)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  6       (  0.815,   1.141,  -0.215)  (  0.856,   1.101,  -0.316)  ( 3.35,  3.49,  2.17)
168:     bond    ( -0.770,  -0.798,   0.110)  ( -0.761,  -0.793,   0.112)  ( 0.74,  0.41,  0.02)
168:     angle   ( -6.533,  -4.058,  -0.587)  ( -6.531,  -4.056,  -0.587)  ( 0.02,  0.05,  0.02)
168:     strbnd  ( 13.048,   4.199,   2.149)  ( 13.046,   4.199,   2.149)  ( 0.02,  0.01,  0.01)
168:     torsion (  0.259,  -0.370,  -0.890)  (  0.259,  -0.370,  -0.889)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.183,   0.268,   0.599)  ( -0.151,   0.221,   0.495)  ( 0.59,  1.25,  6.20)
168:     vdw     ( -5.005,   1.900,  -1.595)  ( -5.005,   1.900,  -1.595)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  7       ( -2.349,   0.240,  -0.842)  ( -2.356,   0.262,  -0.794)  ( 0.32,  0.54,  4.02)
168:     bond    ( -1.232,   0.565,  -0.626)  ( -1.226,   0.566,  -0.625)  ( 0.52,  0.08,  0.10)
168:     angle   ( -0.414,  -0.699,   0.179)  ( -0.414,  -0.698,   0.179)  ( 0.01,  0.04,  0.00)
168:     strbnd  ( -1.351,   0.487,  -0.628)  ( -1.351,   0.487,  -0.628)  ( 0.01,  0.00,  0.00)
168:     torsion ( -0.063,   0.092,   0.208)  ( -0.063,   0.092,   0.208)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.065,  -0.095,  -0.213)  (  0.051,  -0.074,  -0.167)  ( 0.09,  0.19,  0.98)
168:     vdw     ( -0.079,   0.007,  -0.027)  ( -0.079,   0.007,  -0.027)  ( 0.00,  0.00,  0.00)
168:     electro (  0.727,  -0.117,   0.266)  (  0.727,  -0.117,   0.266)  ( 0.00,  0.00,  0.00)
168:  8       (  0.435,  -0.189,   0.589)  (  0.427,  -0.172,   0.621)  ( 0.38,  0.32,  1.92)
168:     bond    (  0.028,  -0.862,   0.394)  (  0.028,  -0.860,   0.395)  ( 0.00,  0.24,  0.02)
168:     angle   (  8.772,   1.272,   2.136)  (  8.772,   1.272,   2.136)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( -0.253,   1.856,  -0.912)  ( -0.253,   1.856,  -0.912)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.061,  -0.089,  -0.197)  (  0.061,  -0.089,  -0.197)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.065,  -0.096,  -0.213)  (  0.055,  -0.081,  -0.181)  ( 0.06,  0.14,  0.68)
168:     vdw     ( -8.081,  -2.204,  -0.604)  ( -8.081,  -2.204,  -0.604)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.157,  -0.066,  -0.016)  ( -0.157,  -0.066,  -0.016)  ( 0.00,  0.00,  0.00)
168: ok 8 # gradients 
168: ok 9 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zz2_6cn.sdf
168:  1       (  6.021,  -8.841,  15.336)  (  6.025,  -8.837,  15.339)  ( 0.07,  0.04,  0.02)
168:     bond    ( 13.697, -19.381,  33.622)  ( 13.700, -19.379,  33.624)  ( 0.02,  0.02,  0.01)
168:     angle   ( -4.188,   5.759,  -9.944)  ( -4.187,   5.761,  -9.942)  ( 0.03,  0.02,  0.02)
168:     strbnd  ( -3.294,   4.646,  -8.104)  ( -3.295,   4.645,  -8.105)  ( 0.02,  0.01,  0.01)
168:     torsion ( -0.194,   0.135,  -0.238)  ( -0.194,   0.135,  -0.238)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  2       ( -9.933,  -2.704,   4.639)  ( -9.929,  -2.699,   4.644)  ( 0.04,  0.19,  0.11)
168:     bond    (-13.151,   0.001,   0.002)  (-13.148,   0.005,   0.006)  ( 0.03,  0.00,  0.00)
168:     angle   ( -5.431,  -2.186,   3.739)  ( -5.429,  -2.184,   3.741)  ( 0.03,  0.08,  0.04)
168:     strbnd  (  4.098,  -2.031,   3.530)  (  4.097,  -2.031,   3.529)  ( 0.04,  0.02,  0.01)
168:     torsion ( -0.000,   0.166,  -0.285)  (  0.000,   0.166,  -0.285)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  3       (  3.813,   8.396,   5.795)  (  3.819,   8.400,   5.800)  ( 0.14,  0.05,  0.09)
168:     bond    (  4.362,  12.392,  -0.017)  (  4.366,  12.395,  -0.013)  ( 0.09,  0.03,  0.01)
168:     angle   (  3.888,   4.351,   3.744)  (  3.890,   4.353,   3.746)  ( 0.05,  0.04,  0.04)
168:     strbnd  (  0.568,  -4.531,   3.529)  (  0.568,  -4.532,   3.529)  ( 0.03,  0.03,  0.01)
168:     torsion (  0.479,  -0.170,   0.882)  (  0.479,  -0.170,   0.882)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  4       (  3.726,  -9.185,  -4.409)  (  3.731,  -9.180,  -4.405)  ( 0.14,  0.05,  0.09)
168:     bond    (  4.377,  -6.197, -10.754)  (  4.381,  -6.194, -10.751)  ( 0.09,  0.06,  0.03)
168:     angle   (  3.836,  -5.397,  -1.958)  (  3.837,  -5.396,  -1.956)  ( 0.05,  0.03,  0.09)
168:     strbnd  (  0.555,  -0.774,   5.727)  (  0.555,  -0.774,   5.725)  ( 0.03,  0.04,  0.02)
168:     torsion (  0.478,  -0.675,   0.585)  (  0.478,  -0.675,   0.585)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  5       ( -2.313,  28.066,   0.105)  ( -2.312,  28.068,   0.106)  ( 0.04,  0.01,  0.01)
168:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
168:     angle   (  1.760,   0.623,  -0.007)  (  1.760,   0.623,  -0.006)  ( 0.03,  0.00,  0.00)
168:     strbnd  ( -1.908,  -0.349,   0.000)  ( -1.908,  -0.349,   0.000)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.000,   0.152)  (  0.000,   0.000,   0.152)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  6       ( -9.233, -13.275,  23.034)  ( -9.232, -13.274,  23.036)  ( 0.01,  0.01,  0.01)
168:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
168:     angle   (  1.828,  -0.303,   0.571)  (  1.829,  -0.302,   0.572)  ( 0.02,  0.01,  0.01)
168:     strbnd  ( -1.910,   0.171,  -0.295)  ( -1.910,   0.171,  -0.295)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  7       ( -2.162, -14.129, -24.316)  ( -2.161, -14.129, -24.314)  ( 0.04,  0.01,  0.01)
168:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
168:     angle   (  1.840,  -0.299,  -0.578)  (  1.840,  -0.299,  -0.578)  ( 0.02,  0.01,  0.01)
168:     strbnd  ( -1.909,   0.172,   0.297)  ( -1.909,   0.172,   0.297)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.133,   0.077)  (  0.000,  -0.133,   0.077)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  8       ( 27.568,  -1.841,  -1.569)  ( 27.570,  -1.840,  -1.569)  ( 0.01,  0.04,  0.04)
168:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
168:     angle   ( -0.000,  -1.856,  -0.010)  (  0.000,  -1.856,  -0.009)  ( 0.00,  0.03,  0.00)
168:     strbnd  (  0.304,   1.915,  -0.000)  (  0.304,   1.915,  -0.000)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.000,  -0.469)  (  0.000,   0.000,  -0.469)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  9       (-11.584,  11.851,  21.981)  (-11.583,  11.852,  21.983)  ( 0.01,  0.01,  0.01)
168:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
168:     angle   ( -0.885,  -1.619,   0.574)  ( -0.885,  -1.619,   0.574)  ( 0.03,  0.02,  0.01)
168:     strbnd  (  0.798,   1.743,  -0.296)  (  0.798,   1.743,  -0.296)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.382,   0.135,  -0.234)  ( -0.382,   0.135,  -0.234)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 10       (-10.930,   9.420, -22.678)  (-10.929,   9.421, -22.676)  ( 0.01,  0.01,  0.01)
168:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
168:     angle   ( -0.882,  -1.631,  -0.581)  ( -0.882,  -1.630,  -0.581)  ( 0.03,  0.02,  0.01)
168:     strbnd  (  0.799,   1.742,   0.299)  (  0.799,   1.742,   0.299)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.001,  -0.000,  -0.001)  (  0.001,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 11       ( 27.570,   2.262,   0.809)  ( 27.573,   2.263,   0.809)  ( 0.01,  0.03,  0.05)
168:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
168:     angle   (  0.001,   0.926,   1.618)  (  0.001,   0.926,   1.618)  ( 0.00,  0.04,  0.03)
168:     strbnd  (  0.305,  -0.958,  -1.660)  (  0.305,  -0.958,  -1.660)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,   0.407,  -0.235)  ( -0.000,   0.407,  -0.235)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 12       (-10.972,  14.917, -19.519)  (-10.971,  14.918, -19.517)  ( 0.01,  0.01,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/2zzu_359.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a0i_aji.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a29_2t0.sdf
168:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
168:     angle   ( -0.889,   1.308,   1.118)  ( -0.889,   1.309,   1.119)  ( 0.03,  0.03,  0.02)
168:     strbnd  (  0.798,  -1.129,  -1.364)  (  0.798,  -1.129,  -1.364)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 13       (-11.601, -24.965,   0.763)  (-11.600, -24.963,   0.763)  ( 0.01,  0.01,  0.05)
168:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
168:     angle   ( -0.888,   0.315,   1.704)  ( -0.887,   0.315,   1.705)  ( 0.03,  0.00,  0.03)
168:     strbnd  (  0.799,  -0.614,  -1.659)  (  0.799,  -0.614,  -1.659)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.381,   0.135,  -0.233)  ( -0.381,   0.135,  -0.233)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: ok 10 # gradients 
168: ok 11 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a2c_pdy.sdf
163:     bond    ( 21.393,  15.082, -15.096)  ( 21.407,  15.089, -15.089)  ( 0.06,  0.05,  0.05)
163:     angle   ( 13.456,   7.526,  26.619)  ( 13.458,   7.528,  26.622)  ( 0.02,  0.04,  0.01)
163:     torsion ( -0.019,   0.010,  -0.017)  ( -0.019,   0.010,  -0.017)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.421,  -0.547,  -1.936)  ( -0.421,  -0.546,  -1.936)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 26       (-30.400,   1.530,  -6.272)  (-30.384,   1.535,  -6.258)  ( 0.05,  0.35,  0.23)
163:     bond    (-20.249,  -7.300, -19.136)  (-20.236,  -7.298, -19.124)  ( 0.07,  0.02,  0.06)
163:     angle   (-29.255,  18.971,  23.710)  (-29.253,  18.975,  23.712)  ( 0.01,  0.02,  0.01)
163:     torsion ( -0.006,  -0.023,   0.014)  ( -0.006,  -0.023,   0.014)  ( 0.00,  0.00,  0.00)
163:     vdw     ( 19.109, -10.119, -10.861)  ( 19.110, -10.119, -10.861)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 27       ( 25.004, -12.499,  28.368)  ( 25.011, -12.478,  28.375)  ( 0.03,  0.17,  0.02)
163:     bond    ( 11.583, -25.719,  11.135)  ( 11.587, -25.699,  11.138)  ( 0.03,  0.08,  0.03)
163:     angle   ( 13.816,  14.065,  18.075)  ( 13.820,  14.066,  18.078)  ( 0.02,  0.01,  0.02)
163:     torsion (  0.024,   0.012,   0.003)  (  0.024,   0.012,   0.003)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.420,  -0.856,  -0.844)  ( -0.420,  -0.856,  -0.844)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 34 # gradients 
163: ok 35 # energy 
163: 
163: V A L I D A T E   G R A D I E N T S
163: 
163: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
163: ----------------------------------------------------------------------------------------
163:  1       (1369.371, 1195.430, 1995.217)  (1369.423, 1195.454, 1995.268)  ( 0.00,  0.00,  0.00)
163:     bond    (1461.461, 1275.601, 2025.255)  (1461.505, 1275.614, 2025.297)  ( 0.00,  0.00,  0.00)
163:     angle   (-94.800, -75.151, -31.579)  (-94.792, -75.141, -31.571)  ( 0.01,  0.01,  0.03)
163:     torsion (  2.079,  -6.467,   0.470)  (  2.079,  -6.467,   0.470)  ( 0.00,  0.01,  0.00)
163:     vdw     (  0.631,   1.447,   1.072)  (  0.631,   1.447,   1.072)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  2       (-181.675, 105.621, 179.573)  (-181.622, 105.667, 179.622)  ( 0.03,  0.04,  0.03)
163:     bond    (-148.144,  60.423, 102.210)  (-148.102,  60.459, 102.246)  ( 0.03,  0.06,  0.04)
163:     angle   (-28.350,  45.228,  69.391)  (-28.340,  45.238,  69.404)  ( 0.04,  0.02,  0.02)
163:     torsion ( -1.446,   1.438,   1.670)  ( -1.446,   1.438,   1.670)  ( 0.02,  0.03,  0.02)
163:     vdw     ( -3.735,  -1.468,   6.302)  ( -3.735,  -1.468,   6.302)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  3       (-132.371, -161.041, 125.197)  (-132.323, -160.993, 125.249)  ( 0.04,  0.03,  0.04)
163:     bond    (-94.820, -119.067, 105.652)  (-94.784, -119.030, 105.693)  ( 0.04,  0.03,  0.04)
163:     angle   (-31.282, -40.683,  10.602)  (-31.271, -40.672,  10.611)  ( 0.03,  0.03,  0.09)
163:     torsion ( -1.488,  -1.816,   0.312)  ( -1.488,  -1.815,   0.312)  ( 0.03,  0.03,  0.01)
163:     vdw     ( -4.780,   0.524,   8.632)  ( -4.780,   0.524,   8.632)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  4       (-15.902, 115.758,  12.897)  (-15.857, 115.778,  12.945)  ( 0.29,  0.02,  0.38)
163:     bond    (-28.066,  85.668,  -9.634)  (-28.027,  85.679,  -9.591)  ( 0.14,  0.01,  0.44)
163:     angle   ( 14.028,  26.175,  23.400)  ( 14.034,  26.182,  23.406)  ( 0.04,  0.03,  0.03)
163:     torsion ( -1.256,   4.948,   0.115)  ( -1.256,   4.948,   0.116)  ( 0.02,  0.01,  0.00)
163:     vdw     ( -0.608,  -1.032,  -0.985)  ( -0.608,  -1.032,  -0.985)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  5       (176.944, -86.116, -142.995)  (176.997, -86.070, -142.947)  ( 0.03,  0.05,  0.03)
163:     bond    (141.110, -61.763, -102.053)  (141.152, -61.727, -102.017)  ( 0.03,  0.06,  0.04)
163:     angle   ( 26.086, -27.000, -36.336)  ( 26.097, -26.991, -36.325)  ( 0.04,  0.03,  0.03)
163:     torsion (  0.894,  -1.212,  -1.769)  (  0.894,  -1.211,  -1.768)  ( 0.03,  0.04,  0.02)
163:     vdw     (  8.855,   3.859,  -2.837)  (  8.855,   3.859,  -2.837)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  6       (157.851, 189.819, -117.633)  (157.899, 189.868, -117.581)  ( 0.03,  0.03,  0.04)
163:     bond    ( 96.212, 121.860, -105.322)  ( 96.248, 121.897, -105.281)  ( 0.04,  0.03,  0.04)
163:     angle   ( 52.701,  64.745,  -8.770)  ( 52.712,  64.757,  -8.760)  ( 0.02,  0.02,  0.11)
163:     torsion (  1.075,   2.443,  -0.727)  (  1.075,   2.444,  -0.727)  ( 0.04,  0.02,  0.02)
163:     vdw     (  7.863,   0.770,  -2.813)  (  7.863,   0.770,  -2.813)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  7       (-133.686, -119.156, -187.980)  (-133.636, -119.106, -187.928)  ( 0.04,  0.04,  0.03)
163:     bond    (-85.996, -97.284, -126.688)  (-85.958, -97.245, -126.649)  ( 0.04,  0.04,  0.03)
163:     angle   (-41.435, -21.293, -53.864)  (-41.424, -21.281, -53.852)  ( 0.03,  0.05,  0.02)
163:     torsion ( -0.017,   0.011,   0.003)  ( -0.017,   0.011,   0.003)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -6.238,  -0.590,  -7.431)  ( -6.238,  -0.590,  -7.430)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:  8       (1573.982, -2052.237, -2187.666)  (1574.030, -2052.177, -2187.611)  ( 0.00,  0.00,  0.00)
163:     bond    (1548.366, -2060.217, -2183.958)  (1548.400, -2060.170, -2183.914)  ( 0.00,  0.00,  0.00)
163:     angle   ( 19.787,   7.107,  -6.660)  ( 19.801,   7.120,  -6.649)  ( 0.07,  0.18,  0.17)
163:     torsion ( -1.000,   2.025,  -1.521)  ( -1.000,   2.025,  -1.521)  ( 0.00,  0.00,  0.02)
163:     vdw     (  2.318,   1.078,   4.865)  (  2.318,   1.078,   4.865)  ( 0.01,  0.01,  0.00)
163:     electro (  4.512,  -2.230,  -0.392)  (  4.512,  -2.230,  -0.392)  ( 0.00,  0.00,  0.00)
163:  9       ( -7.983, -41.507, -35.682)  ( -7.977, -41.500, -35.661)  ( 0.07,  0.02,  0.06)
163:     bond    (  4.870,   5.245, -14.381)  (  4.872,   5.247, -14.361)  ( 0.05,  0.05,  0.14)
163:     angle   (-15.868, -48.162, -22.980)  (-15.864, -48.158, -22.979)  ( 0.02,  0.01,  0.00)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (  3.787,   0.954,   0.884)  (  3.787,   0.954,   0.884)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.772,   0.456,   0.795)  ( -0.772,   0.456,   0.795)  ( 0.00,  0.00,  0.00)
163: 10       ( 27.594, -14.399, -46.283)  ( 27.599, -14.375, -46.279)  ( 0.02,  0.17,  0.01)
163:     bond    (  1.010, -10.223,   1.585)  (  1.011, -10.199,   1.586)  ( 0.03,  0.24,  0.04)
163:     angle   ( 30.378,  -4.575, -48.799)  ( 30.382,  -4.575, -48.795)  ( 0.01,  0.00,  0.01)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -1.850,   0.228,   1.522)  ( -1.850,   0.228,   1.522)  ( 0.01,  0.00,  0.01)
163:     electro ( -1.944,   0.171,  -0.592)  ( -1.944,   0.171,  -0.592)  ( 0.00,  0.00,  0.00)
163: 11       (-2877.194, 780.290, 282.207)  (-2877.127, 780.387, 282.225)  ( 0.00,  0.01,  0.01)
163:     bond    (-2944.764, 766.776, 249.933)  (-2944.709, 766.863, 249.945)  ( 0.00,  0.01,  0.01)
163:     angle   ( 71.107,  12.851,  27.872)  ( 71.119,  12.861,  27.874)  ( 0.02,  0.07,  0.01)
163:     torsion (  0.047,  -0.634,   2.789)  (  0.047,  -0.634,   2.791)  ( 0.00,  0.01,  0.08)
163:     vdw     ( -3.584,   1.297,   1.614)  ( -3.584,   1.297,   1.614)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 12       (-70.944, -46.432, -11.513)  (-70.859, -46.350, -11.506)  ( 0.12,  0.18,  0.07)
163:     bond    (-73.273, -87.425, -19.694)  (-73.200, -87.355, -19.690)  ( 0.10,  0.08,  0.02)
163:     angle   (  8.092,  43.087,  10.723)  (  8.105,  43.099,  10.723)  ( 0.15,  0.03,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a2i_tej.sdf
168:  1       (-94.849, 134.077, -232.261)  (-94.840, 134.085, -232.257)  ( 0.01,  0.01,  0.00)
168:     bond    (-98.615, 139.541, -241.698)  (-98.607, 139.548, -241.694)  ( 0.01,  0.01,  0.00)
168:     angle   (-17.077,  24.042, -41.606)  (-17.076,  24.043, -41.605)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( 20.845, -29.505,  51.044)  ( 20.845, -29.506,  51.044)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.002,  -0.001,  -0.002)  ( -0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  2       (267.229,   1.097,  -1.985)  (267.239,   1.101,  -1.981)  ( 0.00,  0.37,  0.20)
168:     bond    (324.092,   0.002,   0.003)  (324.102,   0.005,   0.006)  ( 0.00,  0.00,  0.00)
168:     angle   ( -7.067,  -9.049,  15.613)  ( -7.066,  -9.047,  15.614)  ( 0.02,  0.02,  0.01)
168:     strbnd  (-54.347,   8.796, -15.254)  (-54.349,   8.796, -15.255)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,   0.001,  -0.000)  (  0.000,   0.001,  -0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  3       (-92.994, -251.370,  -1.993)  (-92.989, -251.361,  -1.989)  ( 0.01,  0.00,  0.20)
168:     bond    (-108.221, -305.529,  -0.016)  (-108.218, -305.520,  -0.013)  ( 0.00,  0.00,  0.00)
168:     angle   ( 10.871,   3.619,  15.618)  ( 10.872,   3.621,  15.619)  ( 0.01,  0.04,  0.01)
168:     strbnd  (  9.840,  54.186, -15.254)  (  9.840,  54.184, -15.254)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.001,  -0.000,   0.003)  (  0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  4       (-92.879, 127.455, 216.653)  (-92.874, 127.461, 216.661)  ( 0.01,  0.00,  0.00)
168:     bond    (-107.982, 152.791, 264.561)  (-107.978, 152.795, 264.568)  ( 0.00,  0.00,  0.00)
168:     angle   ( 10.825, -15.317,   4.617)  ( 10.827, -15.315,   4.619)  ( 0.01,  0.01,  0.03)
168:     strbnd  (  9.798, -13.878, -54.515)  (  9.798, -13.878, -54.516)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  5       ( 14.020,  33.684,  -0.046)  ( 14.021,  33.686,  -0.046)  ( 0.01,  0.01,  0.00)
168:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
168:     angle   (  2.316,   0.820,  -0.007)  (  2.316,   0.820,  -0.006)  ( 0.02,  0.00,  0.00)
168:     strbnd  ( 13.869,   5.072,   0.000)  ( 13.869,   5.072,   0.000)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  6       (  7.090, -16.075,  27.884)  (  7.091, -16.074,  27.886)  ( 0.01,  0.01,  0.01)
168:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
168:     angle   (  2.371,  -0.399,   0.737)  (  2.371,  -0.398,   0.737)  ( 0.02,  0.01,  0.01)
168:     strbnd  ( 13.871,  -2.534,   4.389)  ( 13.871,  -2.534,   4.389)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  7       ( 14.159, -16.794, -29.238)  ( 14.160, -16.793, -29.236)  ( 0.01,  0.01,  0.01)
168:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
168:     angle   (  2.378,  -0.394,  -0.743)  (  2.378,  -0.394,  -0.742)  ( 0.02,  0.01,  0.01)
168:     strbnd  ( 13.873,  -2.530,  -4.384)  ( 13.873,  -2.530,  -4.384)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.001,   0.000)  (  0.000,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  8       ( 27.412, -19.113,  -1.101)  ( 27.414, -19.112,  -1.100)  ( 0.01,  0.00,  0.05)
168:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
168:     angle   ( -0.000,  -2.447,  -0.010)  (  0.000,  -2.447,  -0.009)  ( 0.00,  0.02,  0.00)
168:     strbnd  (  0.148, -14.767,  -0.000)  (  0.148, -14.767,  -0.000)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  9       (-19.291,  -2.738,  27.067)  (-19.291,  -2.737,  27.069)  ( 0.00,  0.04,  0.01)
168:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
168:     angle   ( -1.157,  -2.100,   0.740)  ( -1.157,  -2.099,   0.740)  ( 0.03,  0.02,  0.01)
168:     strbnd  ( -7.020, -12.229,   4.389)  ( -7.020, -12.229,   4.389)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 10       (-19.016,  -5.032, -27.526)  (-19.015,  -5.031, -27.524)  ( 0.00,  0.02,  0.01)
168:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
168:     angle   ( -1.152,  -2.108,  -0.747)  ( -1.152,  -2.107,  -0.746)  ( 0.03,  0.02,  0.01)
168:     strbnd  ( -7.016, -12.234,  -4.385)  ( -7.016, -12.234,  -4.385)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.001,  -0.000,  -0.000)  (  0.001,  -0.000,  -0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 11       ( 27.424,  10.493,  15.999)  ( 27.427,  10.494,  16.000)  ( 0.01,  0.01,  0.00)
168:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
168:     angle   (  0.001,   1.221,   2.128)  (  0.001,   1.221,   2.129)  ( 0.00,  0.03,  0.02)
168:     strbnd  (  0.159,   7.384,  12.785)  (  0.159,   7.384,  12.785)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 12       (-19.052,  26.348,  -9.424)  (-19.051,  26.349,  -9.422)  ( 0.00,  0.00,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a3z_2mv.sdf
164:     torsion (  0.449,   0.094,  -1.417)  (  0.449,   0.094,  -1.417)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.769,   1.870,   2.782)  ( -3.769,   1.870,   2.782)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 35       (  3.186,   4.348, -12.560)  (  3.187,   4.349, -12.557)  ( 0.03,  0.02,  0.02)
164:     bond    (  3.564,   5.536, -13.771)  (  3.564,   5.537, -13.769)  ( 0.01,  0.01,  0.02)
164:     angle   (  4.272,   0.896,   1.466)  (  4.273,   0.896,   1.466)  ( 0.01,  0.04,  0.01)
164:     strbnd  ( -1.404,  -0.280,   0.081)  ( -1.404,  -0.280,   0.081)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.176,  -0.765,  -0.353)  ( -0.176,  -0.765,  -0.353)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -3.070,  -1.039,   0.017)  ( -3.070,  -1.039,   0.017)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 36       ( 12.939,  -0.809,   0.266)  ( 12.942,  -0.808,   0.266)  ( 0.02,  0.05,  0.02)
164:     bond    ( 14.948,  -0.872,  -2.186)  ( 14.951,  -0.871,  -2.186)  ( 0.02,  0.01,  0.01)
164:     angle   ( -0.194,  -0.295,  -1.209)  ( -0.194,  -0.294,  -1.209)  ( 0.00,  0.01,  0.05)
164:     strbnd  ( -0.620,   0.104,   0.833)  ( -0.620,   0.104,   0.833)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.055,   0.235,   0.284)  (  0.055,   0.235,   0.284)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.250,   0.018,   2.544)  ( -1.250,   0.018,   2.544)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 37       ( -3.970,  10.635,   0.243)  ( -3.969,  10.638,   0.244)  ( 0.02,  0.03,  0.02)
164:     bond    ( -3.964,  14.301,  -1.740)  ( -3.964,  14.304,  -1.740)  ( 0.01,  0.02,  0.01)
164:     angle   (  0.591,  -0.040,  -1.679)  (  0.592,  -0.040,  -1.678)  ( 0.03,  0.00,  0.03)
164:     strbnd  (  0.204,  -0.463,   0.799)  (  0.204,  -0.463,   0.799)  ( 0.00,  0.00,  0.00)
164:     torsion (  1.285,   0.262,  -0.775)  (  1.285,   0.262,  -0.775)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.086,  -3.424,   3.639)  ( -2.086,  -3.424,   3.639)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 38       ( -0.865,  -4.190,  12.257)  ( -0.865,  -4.189,  12.259)  ( 0.07,  0.02,  0.02)
164:     bond    ( -3.389,  -5.369,  13.737)  ( -3.388,  -5.369,  13.739)  ( 0.01,  0.01,  0.02)
164:     angle   ( -1.029,  -0.520,  -0.457)  ( -1.029,  -0.520,  -0.457)  ( 0.05,  0.02,  0.00)
164:     strbnd  (  0.813,   0.452,  -0.424)  (  0.813,   0.452,  -0.424)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.168,   0.305,   0.160)  (  0.168,   0.305,   0.160)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.572,   0.942,  -0.759)  (  2.572,   0.942,  -0.759)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 39       ( -2.366,  11.043,  -1.302)  ( -2.365,  11.045,  -1.301)  ( 0.04,  0.02,  0.05)
164:     bond    ( -5.175,  13.998,  -0.756)  ( -5.174,  14.001,  -0.756)  ( 0.01,  0.02,  0.01)
164:     angle   ( -1.747,  -0.629,   0.301)  ( -1.746,  -0.629,   0.301)  ( 0.03,  0.00,  0.01)
164:     strbnd  (  0.846,  -0.285,   0.215)  (  0.846,  -0.285,   0.215)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.933,  -0.284,   1.129)  ( -0.933,  -0.284,   1.129)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  4.643,  -1.758,  -2.190)  (  4.643,  -1.758,  -2.190)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 40       (-14.084,   0.166,   1.101)  (-14.081,   0.167,   1.102)  ( 0.02,  0.01,  0.07)
164:     bond    (-15.161,   0.766,   2.378)  (-15.158,   0.766,   2.378)  ( 0.02,  0.01,  0.01)
164:     angle   (  0.632,  -0.293,   4.123)  (  0.632,  -0.293,   4.124)  ( 0.00,  0.01,  0.01)
164:     strbnd  (  0.268,   0.146,  -1.361)  (  0.268,   0.146,  -1.361)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.102,  -0.786,  -0.394)  ( -0.102,  -0.786,  -0.394)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.279,   0.334,  -3.644)  (  0.280,   0.334,  -3.644)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 41       (  4.171, -11.140,   1.325)  (  4.172, -11.137,   1.325)  ( 0.02,  0.02,  0.06)
164:     bond    (  4.150, -14.362,   1.795)  (  4.150, -14.360,   1.795)  ( 0.01,  0.02,  0.01)
164:     angle   ( -1.040,   0.213,   4.111)  ( -1.039,   0.213,   4.111)  ( 0.04,  0.00,  0.01)
164:     strbnd  (  0.104,   0.125,  -1.337)  (  0.104,   0.125,  -1.337)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.377,  -0.373,   0.198)  ( -1.377,  -0.373,   0.198)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.335,   3.257,  -3.441)  (  2.335,   3.257,  -3.441)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 42       ( -4.567,  10.654,  -2.215)  ( -4.567,  10.656,  -2.215)  ( 0.02,  0.03,  0.03)
164:     bond    ( -3.731,  13.029,  -0.572)  ( -3.730,  13.032,  -0.572)  ( 0.01,  0.02,  0.00)
164:     angle   (  1.346,   0.459,   1.669)  (  1.346,   0.459,   1.669)  ( 0.03,  0.00,  0.03)
164:     strbnd  ( -0.246,  -0.135,  -0.322)  ( -0.246,  -0.135,  -0.322)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.006,  -0.001,   0.005)  ( -0.006,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.931,  -2.698,  -2.995)  ( -1.931,  -2.698,  -2.995)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 43       ( 11.621,  -1.350,  -2.700)  ( 11.624,  -1.349,  -2.700)  ( 0.03,  0.04,  0.02)
164:     bond    ( 13.434,  -0.728,  -1.655)  ( 13.437,  -0.728,  -1.655)  ( 0.02,  0.01,  0.01)
164:     angle   (  0.239,  -0.414,   2.123)  (  0.239,  -0.413,   2.123)  ( 0.00,  0.02,  0.02)
164:     strbnd  ( -0.632,  -0.208,  -0.263)  ( -0.633,  -0.208,  -0.263)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.014,   0.348,  -0.265)  ( -0.014,   0.348,  -0.265)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -1.406,  -0.348,  -2.640)  ( -1.406,  -0.348,  -2.640)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 44       ( -3.360,  -5.091,  10.354)  ( -3.359,  -5.090,  10.356)  ( 0.02,  0.02,  0.03)
164:     bond    ( -2.735,  -4.743,  12.407)  ( -2.734,  -4.742,  12.410)  ( 0.01,  0.01,  0.02)
164:     angle   (  2.115,   0.037,   0.480)  (  2.115,   0.037,   0.480)  ( 0.02,  0.00,  0.00)
164:     strbnd  ( -0.131,  -0.084,  -0.698)  ( -0.131,  -0.084,  -0.698)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.336,   0.257,   0.024)  ( -0.336,   0.257,   0.024)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.272,  -0.558,  -1.860)  ( -2.272,  -0.558,  -1.860)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 45       (  6.016,   7.613,   2.296)  (  6.018,   7.618,   2.287)  ( 0.03,  0.06,  0.41)
164:     bond    (  9.306,   9.280,   2.085)  (  9.308,   9.282,   2.085)  ( 0.02,  0.02,  0.01)
164:     angle   ( -0.825,   0.781,   0.202)  ( -0.825,   0.782,   0.202)  ( 0.03,  0.02,  0.00)
164:     strbnd  ( -0.536,  -0.577,  -0.147)  ( -0.536,  -0.577,  -0.147)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.003,   0.038,  -0.155)  ( -0.003,   0.038,  -0.155)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a40_23r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a4p_dfq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a50_vd3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a73_pj2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a74_lyn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a78_3ev.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a7d_fbn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a7r_laq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a7y_o13.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a7z_o14.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a8b_br6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3a9e_754.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aau_gzc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aav_a2c.sdf
168:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
168:     angle   ( -1.160,   1.692,   1.451)  ( -1.160,   1.692,   1.451)  ( 0.03,  0.02,  0.01)
168:     strbnd  ( -7.010,   9.918,   8.398)  ( -7.010,   9.918,   8.398)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 13       (-19.294, -22.069,  15.940)  (-19.293, -22.066,  15.940)  ( 0.00,  0.01,  0.00)
168:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
168:     angle   ( -1.157,   0.410,   2.200)  ( -1.157,   0.410,   2.200)  ( 0.03,  0.00,  0.02)
168:     strbnd  ( -7.007,   2.322,  12.788)  ( -7.007,   2.322,  12.788)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.002,  -0.001,   0.001)  (  0.002,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: ok 12 # gradients 
168: ok 13 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3abt_2pf.sdf
166:     angle   ( 10.251,   5.425, -14.704)  ( 10.253,   5.427, -14.702)  ( 0.02,  0.04,  0.01)
166:     strbnd  (  4.541,  -0.227,   0.888)  (  4.540,  -0.227,   0.888)  ( 0.02,  0.01,  0.06)
166:     torsion ( -1.610,   3.720,   3.452)  ( -1.610,   3.720,   3.452)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.819,   5.346,  -4.109)  ( -3.819,   5.346,  -4.109)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 24       (  0.357,   0.362,   0.364)  (  0.362,   0.367,   0.370)  ( 0.18,  0.17,  0.22)
166:     bond    ( 21.264, -13.824,  -2.826)  ( 21.268, -13.820,  -2.821)  ( 0.02,  0.03,  0.16)
166:     angle   (-16.268,  12.918,  11.920)  (-16.266,  12.920,  11.922)  ( 0.01,  0.02,  0.01)
166:     strbnd  ( -2.042,  -2.702,   2.306)  ( -2.043,  -2.703,   2.305)  ( 0.04,  0.04,  0.01)
166:     torsion (  0.242,  -0.309,  -3.665)  (  0.242,  -0.309,  -3.665)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.840,   4.280,  -7.371)  ( -2.839,   4.280,  -7.371)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 25       (  0.298,   0.643,   0.076)  (  0.302,   0.648,   0.081)  ( 0.13,  0.32,  0.04)
166:     bond    (-17.007,  -1.605,  19.177)  (-17.004,  -1.602,  19.181)  ( 0.02,  0.21,  0.02)
166:     angle   ( 20.289, -11.578, -20.050)  ( 20.291, -11.576, -20.048)  ( 0.01,  0.02,  0.01)
166:     strbnd  (  0.219,   4.268,  -0.478)  (  0.218,   4.267,  -0.478)  ( 0.02,  0.02,  0.02)
166:     torsion ( -1.834,   2.984,   4.550)  ( -1.834,   2.984,   4.550)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.369,   6.574,  -3.124)  ( -1.369,   6.574,  -3.124)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 26       (  1.237,  -0.464,   0.129)  (  1.240,  -0.447,   0.209)  ( 0.28,  0.80,  1.04)
166:     bond    ( 15.847,  -1.098,  -7.962)  ( 15.850,  -1.095,  -7.959)  ( 0.02,  0.29,  0.04)
166:     angle   (-11.285,  -1.723,  11.202)  (-11.283,  -1.722,  11.203)  ( 0.02,  0.12,  0.02)
166:     strbnd  ( -2.536,   2.403,   1.664)  ( -2.537,   2.402,   1.663)  ( 0.03,  0.03,  0.04)
166:     torsion (  1.195,  -2.901,  -3.945)  (  1.195,  -2.901,  -3.945)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.005,  -0.076,  -0.452)  (  0.004,  -0.063,  -0.376)  ( 0.00,  0.10,  3.40)
166:     vdw     ( -1.368,   2.242,  -0.525)  ( -1.367,   2.242,  -0.525)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.621,   0.690,   0.148)  ( -0.621,   0.690,   0.148)  ( 0.00,  0.00,  0.00)
166: 27       (  0.236,   0.612,   0.037)  (  0.242,   0.618,   0.042)  ( 0.14,  0.35,  0.02)
166:     bond    (  5.055, -10.233, -17.302)  (  5.059, -10.229, -17.298)  ( 0.09,  0.04,  0.02)
166:     angle   ( -3.183,   7.842,  10.800)  ( -3.181,   7.843,  10.802)  ( 0.06,  0.02,  0.02)
166:     strbnd  (  1.203,   0.907,  -0.607)  (  1.203,   0.907,  -0.608)  ( 0.04,  0.05,  0.06)
166:     torsion ( -0.959,  -0.405,  -0.114)  ( -0.959,  -0.405,  -0.114)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.881,   2.501,   7.260)  ( -1.880,   2.501,   7.260)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 28       (  0.896,  -0.479,  -0.925)  (  0.900,  -0.477,  -0.920)  ( 0.38,  0.08,  0.45)
166:     bond    (  7.820,   3.623,  -3.208)  (  7.824,   3.624,  -3.204)  ( 0.05,  0.03,  0.12)
166:     angle   ( -2.167,   1.247,   4.426)  ( -2.166,   1.247,   4.428)  ( 0.01,  0.03,  0.03)
166:     strbnd  (  0.310,   0.219,   0.140)  (  0.310,   0.219,   0.140)  ( 0.00,  0.00,  0.01)
166:     torsion (  0.871,  -2.454,  -0.635)  (  0.871,  -2.454,  -0.635)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.614,  -2.920,  -1.379)  ( -3.614,  -2.920,  -1.379)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.324,  -0.193,  -0.270)  ( -2.323,  -0.193,  -0.270)  ( 0.00,  0.00,  0.00)
166: 29       (  0.408,   0.492,   0.031)  (  0.409,   0.493,   0.034)  ( 0.03,  0.06,  0.01)
166:     bond    ( -1.093,   2.730,   5.745)  ( -1.093,   2.731,   5.748)  ( 0.01,  0.02,  0.04)
166:     angle   ( -0.447,  -1.804,   0.772)  ( -0.446,  -1.803,   0.772)  ( 0.03,  0.03,  0.01)
166:     strbnd  ( -0.651,  -1.825,  -2.101)  ( -0.651,  -1.825,  -2.101)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.322,  -0.173,   0.334)  (  1.322,  -0.173,   0.334)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.277,   1.563,  -4.719)  (  1.277,   1.563,  -4.719)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 30       (  0.503,   0.033,   0.106)  (  0.504,   0.034,   0.109)  ( 0.04,  0.00,  0.03)
166:     bond    (  0.388,  -0.566,  -1.877)  (  0.388,  -0.566,  -1.874)  ( 0.01,  0.02,  0.16)
166:     angle   ( -1.222,   1.435,  -0.686)  ( -1.222,   1.436,  -0.686)  ( 0.05,  0.04,  0.00)
166:     strbnd  ( -0.562,   0.515,   1.009)  ( -0.562,   0.515,   1.009)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.037,   0.246,  -0.289)  ( -1.037,   0.246,  -0.289)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.936,  -1.598,   1.950)  (  2.936,  -1.598,   1.950)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 31       (  0.438,   0.182,   0.134)  (  0.439,   0.183,   0.137)  ( 0.04,  0.02,  0.04)
166:     bond    ( -1.114,   1.979,   6.032)  ( -1.114,   1.980,   6.035)  ( 0.01,  0.02,  0.05)
166:     angle   ( -0.690,   1.900,  -0.751)  ( -0.689,   1.901,  -0.751)  ( 0.04,  0.03,  0.01)
166:     strbnd  (  0.022,  -0.078,  -2.039)  (  0.022,  -0.078,  -2.039)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.783,   1.067,  -0.206)  (  0.783,   1.067,  -0.206)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.437,  -4.688,  -2.903)  (  1.437,  -4.687,  -2.903)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 32       (  1.763,   0.235,  -0.010)  (  1.764,   0.236,  -0.007)  ( 0.05,  0.03,  0.00)
166:     bond    ( -0.495,   1.091,   2.241)  ( -0.495,   1.092,   2.244)  ( 0.01,  0.06,  0.12)
166:     angle   ( -0.145,   0.135,  -0.098)  ( -0.144,   0.135,  -0.098)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -0.003,  -0.325,  -0.202)  ( -0.003,  -0.325,  -0.202)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.861,   0.535,   0.150)  (  1.861,   0.535,   0.150)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.545,  -1.202,  -2.101)  (  0.545,  -1.202,  -2.101)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 33       (  0.648,   0.036,  -0.155)  (  0.650,   0.037,  -0.153)  ( 0.11,  0.00,  0.03)
166:     bond    (  2.130,  -0.511,   2.443)  (  2.132,  -0.511,   2.445)  ( 0.07,  0.00,  0.08)
166:     angle   (  2.580,  -0.905,  -2.439)  (  2.580,  -0.904,  -2.439)  ( 0.01,  0.05,  0.01)
166:     strbnd  ( -0.613,   0.221,  -1.607)  ( -0.613,   0.221,  -1.607)  ( 0.00,  0.00,  0.00)
166:     torsion ( -2.226,   0.124,   1.967)  ( -2.226,   0.125,   1.967)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.223,   1.107,  -0.518)  ( -1.223,   1.107,  -0.518)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 34       (  0.623,  -0.025,  -0.099)  (  0.624,  -0.024,  -0.096)  ( 0.07,  0.00,  0.02)
166:     bond    (  1.205,  -1.083,  -2.206)  (  1.205,  -1.082,  -2.204)  ( 0.05,  0.05,  0.10)
166:     angle   (  4.429,  -0.679,   2.755)  (  4.430,  -0.679,   2.755)  ( 0.01,  0.03,  0.01)
166:     strbnd  ( -0.025,   0.560,   1.229)  ( -0.025,   0.560,   1.229)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3abu_12f.sdf
164:     oop     (  0.001,  -0.014,   0.060)  (  0.001,  -0.012,   0.050)  ( 0.00,  0.00,  0.06)
164:     vdw     (  0.608,  -1.936,  -0.168)  (  0.608,  -1.936,  -0.168)  ( 0.00,  0.00,  0.00)
164:     electro ( -2.535,   0.041,   0.419)  ( -2.535,   0.041,   0.419)  ( 0.00,  0.00,  0.00)
164: 46       ( -0.787,   8.785,   2.088)  ( -0.787,   8.791,   2.076)  ( 0.06,  0.07,  0.60)
164:     bond    ( -2.236,  11.174,   2.917)  ( -2.236,  11.177,   2.918)  ( 0.01,  0.03,  0.01)
164:     angle   (  7.037,   1.340,   0.260)  (  7.038,   1.340,   0.260)  ( 0.01,  0.00,  0.00)
164:     strbnd  (  0.866,  -2.736,  -0.746)  (  0.866,  -2.736,  -0.746)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.005,  -0.155,   0.595)  (  0.005,  -0.155,   0.596)  ( 0.00,  0.00,  0.02)
164:     oop     (  0.002,  -0.022,   0.087)  (  0.001,  -0.019,   0.074)  ( 0.00,  0.01,  0.11)
164:     vdw     ( -6.676,  -0.740,  -0.917)  ( -6.676,  -0.740,  -0.917)  ( 0.00,  0.00,  0.00)
164:     electro (  0.216,  -0.076,  -0.108)  (  0.216,  -0.076,  -0.108)  ( 0.00,  0.00,  0.00)
164: 47       (  3.539,  -5.729,  -2.999)  (  3.540,  -5.736,  -2.962)  ( 0.03,  0.12,  1.22)
164:     bond    (  3.394, -11.784,  -3.276)  (  3.394, -11.781,  -3.275)  ( 0.01,  0.03,  0.01)
164:     angle   (  2.930,   0.813,   0.113)  (  2.931,   0.813,   0.113)  ( 0.02,  0.00,  0.00)
164:     strbnd  ( -0.210,   2.122,   0.663)  ( -0.210,   2.122,   0.663)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.017,   0.295,  -1.081)  ( -0.017,   0.295,  -1.080)  ( 0.00,  0.00,  0.03)
164:     oop     ( -0.001,   0.065,  -0.234)  ( -0.001,   0.055,  -0.198)  ( 0.00,  0.06,  0.85)
164:     vdw     ( -3.105,   0.175,   0.934)  ( -3.105,   0.175,   0.934)  ( 0.01,  0.00,  0.00)
164:     electro (  0.548,   2.584,  -0.118)  (  0.548,   2.584,  -0.118)  ( 0.00,  0.00,  0.00)
164: 48       (-12.816,  -1.854,   2.520)  (-12.814,  -1.854,   2.521)  ( 0.02,  0.04,  0.03)
164:     bond    (-14.576,  -0.381,   3.434)  (-14.573,  -0.381,   3.434)  ( 0.02,  0.00,  0.01)
164:     angle   (  0.009,  -1.112,  -0.086)  (  0.009,  -1.111,  -0.085)  ( 0.00,  0.06,  0.00)
164:     strbnd  (  1.318,  -0.737,  -0.196)  (  1.318,  -0.737,  -0.196)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.019,   0.024,   0.082)  (  0.019,   0.024,   0.082)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.413,   0.351,  -0.714)  (  0.413,   0.351,  -0.714)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 49       (  5.085,   1.582,   9.404)  (  5.086,   1.583,   9.406)  ( 0.02,  0.07,  0.02)
164:     bond    (  5.282,   5.246,   8.963)  (  5.283,   5.247,   8.965)  ( 0.01,  0.01,  0.02)
164:     angle   ( -6.276,   0.410,   3.458)  ( -6.276,   0.410,   3.458)  ( 0.01,  0.02,  0.01)
164:     strbnd  (  0.301,  -0.757,   0.046)  (  0.301,  -0.757,   0.046)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.066,   0.065,   0.001)  ( -0.066,   0.065,   0.001)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  5.844,  -3.382,  -3.063)  (  5.844,  -3.382,  -3.063)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 50       ( -4.133,  12.029,  -0.342)  ( -4.132,  12.031,  -0.341)  ( 0.02,  0.02,  0.02)
164:     bond    ( -5.002,  12.797,   0.970)  ( -5.002,  12.800,   0.970)  ( 0.01,  0.02,  0.01)
164:     angle   (  0.821,   0.446,  -1.651)  (  0.821,   0.446,  -1.650)  ( 0.03,  0.00,  0.03)
164:     strbnd  (  0.347,  -0.722,  -0.122)  (  0.347,  -0.722,  -0.122)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.174,  -0.064,  -0.056)  ( -0.174,  -0.064,  -0.056)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.125,  -0.429,   0.516)  ( -0.125,  -0.429,   0.516)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 51       ( 12.057,   2.405,  -2.800)  ( 12.060,   2.406,  -2.799)  ( 0.02,  0.02,  0.03)
164:     bond    ( 11.866,   0.949,  -3.585)  ( 11.869,   0.949,  -3.584)  ( 0.02,  0.01,  0.01)
164:     angle   ( -1.377,   2.670,  -3.852)  ( -1.377,   2.670,  -3.852)  ( 0.00,  0.02,  0.01)
164:     strbnd  ( -0.478,  -0.001,   0.072)  ( -0.478,  -0.001,   0.072)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.190,   2.069,   1.178)  (  0.190,   2.069,   1.178)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  1.856,  -3.282,   3.388)  (  1.856,  -3.282,   3.388)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 52       ( -7.404,  -4.012,  -9.315)  ( -7.403,  -4.011,  -9.313)  ( 0.02,  0.03,  0.02)
164:     bond    ( -6.876,  -6.421, -10.083)  ( -6.875,  -6.420, -10.081)  ( 0.01,  0.01,  0.02)
164:     angle   (  0.750,   1.477,  -1.453)  (  0.750,   1.478,  -1.453)  ( 0.03,  0.03,  0.02)
164:     strbnd  (  0.385,   0.337,   0.420)  (  0.385,   0.337,   0.420)  ( 0.00,  0.00,  0.00)
164:     torsion ( -1.909,   1.279,   0.487)  ( -1.909,   1.279,   0.487)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.246,  -0.685,   1.314)  (  0.246,  -0.685,   1.314)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 53       ( 15.230,  -4.611,   1.878)  ( 15.245,  -4.609,   1.844)  ( 0.09,  0.04,  1.78)
164:     bond    (  1.222, -10.271,   1.446)  (  1.222, -10.266,   1.446)  ( 0.00,  0.05,  0.00)
164:     angle   (  5.790,   0.964,   1.949)  (  5.790,   0.964,   1.949)  ( 0.01,  0.00,  0.01)
164:     strbnd  (  0.388,  -1.593,   0.291)  (  0.388,  -1.593,   0.291)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.654,  -0.156,  -1.664)  (  0.654,  -0.156,  -1.664)  ( 0.00,  0.00,  0.01)
164:     oop     ( -0.122,   0.029,   0.309)  ( -0.108,   0.026,   0.275)  ( 0.16,  0.01,  1.04)
164:     vdw     (  4.608,   1.041,   2.666)  (  4.609,   1.041,   2.666)  ( 0.00,  0.00,  0.00)
164:     electro (  2.690,   5.376,  -3.118)  (  2.690,   5.375,  -3.118)  ( 0.00,  0.00,  0.00)
164: 54       ( -7.250, -11.027,  -1.781)  ( -7.249, -11.024,  -1.781)  ( 0.01,  0.03,  0.03)
164:     bond    ( -4.260, -12.234,  -0.605)  ( -4.260, -12.231,  -0.605)  ( 0.01,  0.02,  0.00)
164:     angle   ( -3.795,   1.395,  -1.482)  ( -3.795,   1.395,  -1.482)  ( 0.01,  0.01,  0.03)
164:     strbnd  ( -1.388,  -0.259,  -0.495)  ( -1.388,  -0.259,  -0.495)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.002,  -0.000,  -0.006)  (  0.002,  -0.000,  -0.006)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.191,   0.071,   0.806)  (  2.191,   0.071,   0.806)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 55       (-10.238,   6.128,   6.355)  (-10.237,   6.129,   6.357)  ( 0.01,  0.02,  0.02)
164:     bond    ( -7.660,   6.780,   8.104)  ( -7.659,   6.781,   8.105)  ( 0.01,  0.01,  0.01)
164:     angle   ( -3.786,  -2.269,  -1.680)  ( -3.786,  -2.268,  -1.680)  ( 0.01,  0.01,  0.02)
164:     strbnd  ( -1.833,   0.486,   0.087)  ( -1.833,   0.486,   0.087)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  3.040,   1.129,  -0.155)  (  3.040,   1.129,  -0.155)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 56       ( -3.327,   4.630, -12.310)  ( -3.326,   4.631, -12.307)  ( 0.02,  0.02,  0.02)
164:     bond    ( -0.179,   5.185, -12.000)  ( -0.178,   5.185, -11.998)  ( 0.00,  0.01,  0.02)
164:     angle   ( -3.994,  -2.155,  -0.872)  ( -3.993,  -2.155,  -0.872)  ( 0.01,  0.02,  0.01)
164:     strbnd  ( -1.307,   0.375,  -1.326)  ( -1.307,   0.375,  -1.326)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.002,   0.012,   0.005)  ( -0.002,   0.012,   0.005)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  2.154,   1.213,   1.884)  (  2.154,   1.213,   1.884)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ac1_kzi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ac2_kse.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ac3_ksh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ac4_kzl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ac5_kzm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ac8_ksk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3acj_kss.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ack_ksr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3acl_3f1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3acw_651.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3acx_673.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3acy_702.sdf
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 57       ( -0.307,  -9.122,  -8.188)  ( -0.306,  -9.120,  -8.187)  ( 0.02,  0.02,  0.02)
164:     bond    (  0.825, -11.920,  -8.291)  (  0.825, -11.918,  -8.290)  ( 0.01,  0.02,  0.01)
164:     angle   (  0.266,   0.885,  -1.246)  (  0.266,   0.885,  -1.246)  ( 0.01,  0.02,  0.03)
164:     strbnd  (  0.564,   0.787,   0.734)  (  0.564,   0.787,   0.734)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.170,  -0.005,   0.024)  (  0.170,  -0.005,   0.024)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.131,   1.130,   0.592)  ( -2.131,   1.130,   0.592)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 58       (  9.212,   6.945,  -1.363)  (  9.214,   6.946,  -1.362)  ( 0.03,  0.02,  0.05)
164:     bond    ( 12.173,   6.773,  -1.368)  ( 12.175,   6.774,  -1.368)  ( 0.02,  0.01,  0.01)
164:     angle   (  0.058,  -0.350,  -1.218)  (  0.058,  -0.349,  -1.217)  ( 0.00,  0.01,  0.04)
164:     strbnd  ( -0.521,  -1.011,   0.065)  ( -0.521,  -1.011,   0.065)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.181,  -0.338,  -0.064)  (  0.181,  -0.338,  -0.064)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -2.678,   1.870,   1.221)  ( -2.678,   1.870,   1.222)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 59       (-10.799,  -6.712,  -0.430)  (-10.797,  -6.711,  -0.429)  ( 0.02,  0.02,  0.03)
164:     bond    (-12.830,  -7.728,   1.306)  (-12.828,  -7.727,   1.306)  ( 0.02,  0.01,  0.01)
164:     angle   (  0.385,  -0.545,   0.558)  (  0.385,  -0.545,   0.558)  ( 0.01,  0.02,  0.03)
164:     strbnd  (  0.887,   0.269,   0.033)  (  0.887,   0.269,   0.033)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.569,  -0.988,  -0.256)  (  0.569,  -0.988,  -0.256)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.191,   2.279,  -2.071)  (  0.191,   2.279,  -2.071)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 60       (  9.776,  -8.215,   3.975)  (  9.777,  -8.214,   3.976)  ( 0.02,  0.02,  0.02)
164:     bond    ( 11.330,  -9.354,   4.398)  ( 11.332,  -9.353,   4.398)  ( 0.01,  0.01,  0.01)
164:     angle   ( -0.016,   0.054,   0.154)  ( -0.015,   0.054,   0.155)  ( 0.00,  0.00,  0.01)
164:     strbnd  ( -0.988,   0.483,  -0.237)  ( -0.988,   0.483,  -0.237)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.315,  -0.335,   0.099)  ( -0.315,  -0.335,   0.099)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.236,   0.937,  -0.438)  ( -0.236,   0.937,  -0.438)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 61       ( -1.361,  -1.860,  12.613)  ( -1.360,  -1.859,  12.616)  ( 0.04,  0.04,  0.02)
164:     bond    ( -1.242,  -3.974,  13.096)  ( -1.242,  -3.974,  13.099)  ( 0.01,  0.01,  0.02)
164:     angle   ( -0.493,   2.159,   0.609)  ( -0.492,   2.160,   0.609)  ( 0.02,  0.02,  0.00)
164:     strbnd  (  0.058,   0.509,  -0.577)  (  0.058,   0.509,  -0.577)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.242,  -0.008,   0.020)  (  0.242,  -0.008,   0.020)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.075,  -0.546,  -0.535)  (  0.075,  -0.546,  -0.535)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 62       (  9.949,   7.205,  -0.655)  (  9.951,   7.206,  -0.654)  ( 0.02,  0.02,  0.04)
164:     bond    ( 11.359,   7.334,  -1.037)  ( 11.361,   7.335,  -1.037)  ( 0.02,  0.01,  0.01)
164:     angle   ( -0.599,   1.148,   1.564)  ( -0.599,   1.148,   1.564)  ( 0.01,  0.03,  0.03)
164:     strbnd  ( -0.498,  -0.036,   0.239)  ( -0.498,  -0.036,   0.239)  ( 0.00,  0.00,  0.00)
164:     torsion (  0.089,  -0.116,   0.153)  (  0.089,  -0.116,   0.153)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     ( -0.402,  -1.125,  -1.573)  ( -0.402,  -1.125,  -1.573)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: 63       ( -9.227,   7.918,  -3.842)  ( -9.225,   7.919,  -3.841)  ( 0.02,  0.02,  0.02)
164:     bond    (-10.234,   7.920,  -2.677)  (-10.232,   7.921,  -2.677)  ( 0.02,  0.01,  0.01)
164:     angle   (  0.410,   1.448,   2.720)  (  0.410,   1.449,   2.720)  ( 0.01,  0.02,  0.02)
164:     strbnd  (  0.495,  -0.112,   0.334)  (  0.495,  -0.112,   0.334)  ( 0.00,  0.00,  0.00)
164:     torsion ( -0.316,  -0.287,   0.358)  ( -0.316,  -0.287,   0.358)  ( 0.00,  0.00,  0.00)
164:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164:     vdw     (  0.419,  -1.051,  -4.577)  (  0.419,  -1.051,  -4.577)  ( 0.00,  0.00,  0.00)
164:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
164: ok 36 # gradients 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ad4_kbm.sdf
161/208 Test #164: test_ffmmff94_1 ..................   Passed    1.48 sec
test 169
        Start 169: test_ffmmff94_6
169: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "ffmmff94" "6"
169: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
169: Environment variables: 
169:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
169:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
169: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ad5_5pb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ad6_ksc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aez_paz.sdf
168:  1       ( -0.184,  -0.156,  -0.178)  ( -0.177,  -0.152,  -0.170)  ( 0.15,  0.07,  0.14)
168:     bond    ( 12.215,  -2.444,  -2.026)  ( 12.221,  -2.440,  -2.025)  ( 0.05,  0.20,  0.04)
168:     angle   (  1.031,   1.567,   0.419)  (  1.033,   1.568,   0.419)  ( 0.17,  0.09,  0.01)
168:     strbnd  ( -0.276,   0.595,   0.200)  ( -0.276,   0.595,   0.200)  ( 0.00,  0.01,  0.00)
168:     torsion (  0.026,  -0.060,   0.134)  (  0.026,  -0.060,   0.135)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.003,   0.011,  -0.034)  ( -0.003,   0.009,  -0.028)  ( 0.00,  0.00,  0.02)
168:     vdw     (-13.301,   0.238,   1.219)  (-13.301,   0.238,   1.219)  ( 0.00,  0.00,  0.00)
168:     electro (  0.124,  -0.062,  -0.090)  (  0.124,  -0.062,  -0.090)  ( 0.00,  0.00,  0.00)
168:  2       (  0.845,  -0.251,   0.614)  (  0.850,  -0.233,   0.583)  ( 0.37,  0.45,  1.87)
168:     bond    (  8.668,  -9.202,  -3.657)  (  8.674,  -9.197,  -3.657)  ( 0.06,  0.06,  0.02)
168:     angle   (  1.060,  -2.236,  -0.846)  (  1.061,  -2.234,  -0.846)  ( 0.15,  0.07,  0.02)
168:     strbnd  ( -2.306,  -0.145,   0.209)  ( -2.306,  -0.145,   0.209)  ( 0.01,  0.00,  0.00)
168:     torsion ( -0.009,  -0.028,   0.128)  ( -0.009,  -0.028,   0.129)  ( 0.00,  0.00,  0.02)
168:     oop     (  0.014,  -0.067,   0.198)  (  0.012,  -0.056,   0.166)  ( 0.00,  0.08,  0.65)
168:     vdw     ( -6.352,  11.522,   4.701)  ( -6.352,  11.522,   4.701)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.230,  -0.094,  -0.119)  ( -0.230,  -0.094,  -0.119)  ( 0.00,  0.00,  0.00)
168:  3       (  0.073,   0.716,   1.596)  (  0.084,   0.707,   1.644)  ( 0.08,  0.65,  3.02)
168:     bond    ( -6.462, -14.039,  -4.598)  ( -6.457, -14.034,  -4.597)  ( 0.08,  0.04,  0.02)
168:     angle   (  4.729,   7.796,   2.474)  (  4.731,   7.798,   2.474)  ( 0.04,  0.02,  0.01)
168:     strbnd  (  3.737,  -3.706,  -1.522)  (  3.737,  -3.707,  -1.522)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.300,  -2.114,   5.663)  (  0.300,  -2.114,   5.664)  ( 0.00,  0.01,  0.02)
168:     oop     ( -0.022,   0.095,  -0.277)  ( -0.019,   0.079,  -0.231)  ( 0.01,  0.15,  1.28)
168:     vdw     ( -2.173,  13.069,   0.311)  ( -2.172,  13.069,   0.311)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.037,  -0.384,  -0.455)  ( -0.037,  -0.384,  -0.455)  ( 0.00,  0.00,  0.00)
168:  4       ( -1.358,  -0.473,  -0.649)  ( -1.353,  -0.260,  -0.780)  ( 0.39, 10.03,  8.48)
168:     bond    ( -4.734,   2.347,   1.095)  ( -4.729,   2.352,   1.096)  ( 0.11,  0.20,  0.07)
168:     angle   (-10.062,  -2.611,   4.140)  (-10.060,  -2.609,   4.140)  ( 0.02,  0.07,  0.01)
168:     strbnd  (  3.811,   0.602,   0.274)  (  3.811,   0.601,   0.274)  ( 0.00,  0.01,  0.00)
168:     torsion ( -0.109,   2.386,  -1.969)  ( -0.109,   2.387,  -1.968)  ( 0.00,  0.01,  0.06)
168:     oop     (  0.013,  -1.116,   0.755)  (  0.011,  -0.910,   0.622)  ( 0.00, 18.44, 10.07)
168:     vdw     (  9.138,  -2.304,  -5.262)  (  9.139,  -2.304,  -5.262)  ( 0.00,  0.00,  0.00)
168:     electro (  0.584,   0.223,   0.317)  (  0.584,   0.223,   0.317)  ( 0.00,  0.00,  0.00)
168:  5       ( -0.945,  -0.437,  -0.547)  ( -0.950,  -0.380,  -0.686)  ( 0.41,  2.50,  7.61)
168:     bond    ( -9.877,  12.321,   6.024)  ( -9.872,  12.326,   6.025)  ( 0.05,  0.04,  0.01)
168:     angle   (  0.777,  -3.545,  -1.191)  (  0.779,  -3.544,  -1.191)  ( 0.13,  0.04,  0.02)
168:     strbnd  (  3.218,   2.140,   0.609)  (  3.218,   2.140,   0.609)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.010,   0.739,  -2.169)  (  0.010,   0.739,  -2.168)  ( 0.00,  0.01,  0.06)
168:     oop     (  0.069,  -0.304,   0.854)  (  0.058,  -0.253,   0.713)  ( 0.08,  1.53, 12.07)
168:     vdw     (  4.433, -11.904,  -4.594)  (  4.433, -11.904,  -4.594)  ( 0.00,  0.00,  0.00)
168:     electro (  0.425,   0.115,  -0.080)  (  0.425,   0.115,  -0.080)  ( 0.00,  0.00,  0.00)
168:  6       (  0.533,   0.106,  -0.757)  (  0.541,   0.107,  -0.740)  ( 0.44,  0.00,  1.34)
168:     bond    ( 10.935,  11.123,   2.675)  ( 10.940,  11.128,   2.676)  ( 0.05,  0.04,  0.03)
168:     angle   ( -1.841,   0.246,   0.285)  ( -1.839,   0.247,   0.285)  ( 0.09,  0.04,  0.01)
168:     strbnd  ( -0.658,   0.437,   0.063)  ( -0.658,   0.437,   0.063)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.004,   0.151,  -0.129)  ( -0.004,   0.151,  -0.128)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.010,   0.040,  -0.102)  ( -0.008,   0.034,  -0.087)  ( 0.00,  0.03,  0.16)
168:     vdw     ( -7.809, -11.860,  -3.494)  ( -7.809, -11.860,  -3.494)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.081,  -0.031,  -0.054)  ( -0.081,  -0.031,  -0.054)  ( 0.00,  0.00,  0.00)
168:  7       (  4.182,  -0.110,  -2.955)  (  4.161,  -0.952,  -2.296)  ( 0.49,  9.24, 22.30)
168:     bond    ( -8.014,   7.203,  10.301)  ( -8.008,   7.206,  10.304)  ( 0.07,  0.04,  0.04)
168:     angle   ( 23.571,  -6.002, -12.520)  ( 23.573,  -6.000, -12.519)  ( 0.01,  0.02,  0.01)
168:     strbnd  ( -5.963,   1.001,   0.741)  ( -5.964,   1.001,   0.741)  ( 0.01,  0.02,  0.02)
168:     torsion ( -2.504, -12.743,   5.344)  ( -2.504, -12.742,   5.344)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.288,   5.178,  -4.155)  (  0.261,   4.331,  -3.501)  ( 0.80, 16.35, 15.74)
168:     vdw     ( -1.708,   5.497,  -2.750)  ( -1.708,   5.497,  -2.750)  ( 0.01,  0.00,  0.00)
168:     electro ( -1.488,  -0.244,   0.085)  ( -1.488,  -0.244,   0.085)  ( 0.00,  0.00,  0.00)
168:  8       ( -1.923,   7.274,   9.287)  ( -1.901,   8.167,   8.906)  ( 1.12, 12.27,  4.10)
168:     bond    (  7.906,   3.155,   6.283)  (  7.911,   3.158,   6.291)  ( 0.07,  0.08,  0.13)
168:     angle   (-11.927,  11.968,  23.696)  (-11.925,  11.969,  23.697)  ( 0.02,  0.01,  0.01)
168:     strbnd  ( -0.172,  -3.227,  -7.634)  ( -0.173,  -3.227,  -7.635)  ( 0.02,  0.01,  0.01)
168:     torsion ( -1.724,   6.797, -17.832)  ( -1.724,   6.797, -17.832)  ( 0.00,  0.01,  0.00)
168:     oop     ( -0.107,  -5.155,   2.589)  ( -0.093,  -4.267,   2.199)  ( 0.16, 17.23, 15.06)
168:     vdw     (  4.239,  -5.387,   2.000)  (  4.239,  -5.387,   2.000)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.137,  -0.875,   0.186)  ( -0.137,  -0.875,   0.186)  ( 0.00,  0.00,  0.00)
168:  9       (  6.140,  -3.439,  -4.350)  (  6.157,  -3.721,  -4.188)  ( 0.27,  8.20,  3.73)
168:     bond    (  6.677,  -9.432, -17.814)  (  6.678,  -9.430, -17.808)  ( 0.01,  0.02,  0.03)
168:     angle   ( -3.223,  -0.345,  -1.026)  ( -3.222,  -0.345,  -1.026)  ( 0.03,  0.00,  0.01)
168:     strbnd  ( -3.032,   4.056,   7.810)  ( -3.032,   4.056,   7.810)  ( 0.01,  0.00,  0.00)
168:     torsion ( -0.306,   6.009,  -3.297)  ( -0.306,   6.009,  -3.297)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.071,   1.455,  -0.797)  ( -0.056,   1.171,  -0.641)  ( 0.11, 19.52, 12.44)
168:     vdw     (  7.280,  -5.048,  11.866)  (  7.280,  -5.048,  11.866)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.185,  -0.133,  -1.092)  ( -1.185,  -0.133,  -1.092)  ( 0.00,  0.00,  0.00)
168: 10       (  1.503,  -0.193,   0.092)  (  1.469,  -0.420,  -0.248)  ( 2.28,  4.37,  3.13)
168:     bond    (  9.695,  23.920,  -3.884)  (  9.701,  23.924,  -3.884)  ( 0.06,  0.02,  0.01)
168:     angle   (-15.143, -13.685, -10.389)  (-15.141, -13.683, -10.388)  ( 0.01,  0.01,  0.01)
168:     strbnd  (  1.542, -11.914,   0.169)  (  1.542, -11.915,   0.169)  ( 0.03,  0.01,  0.00)
168:     torsion (  1.960,  -0.605,  10.880)  (  1.960,  -0.605,  10.881)  ( 0.00,  0.01,  0.01)
168:     oop     (  0.202,   1.528,   1.715)  (  0.161,   1.295,   1.373)  ( 0.83, 15.24, 19.96)
168:     vdw     (  3.415,   0.682,   1.760)  (  3.415,   0.682,   1.760)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.168,  -0.118,  -0.159)  ( -0.168,  -0.118,  -0.159)  ( 0.00,  0.00,  0.00)
168: 11       ( -3.382,   0.002,   1.664)  ( -3.375,   0.163,   2.211)  ( 0.21,  0.04, 32.88)
168:     bond    (-13.094,  -5.115,  -0.788)  (-13.089,  -5.111,  -0.787)  ( 0.04,  0.09,  0.05)
168:     angle   ( -2.503,   4.242,  11.159)  ( -2.501,   4.244,  11.160)  ( 0.09,  0.05,  0.00)
168:     strbnd  ( 10.155,   7.918,  -0.812)  ( 10.154,   7.917,  -0.812)  ( 0.01,  0.01,  0.01)
168:     torsion (  1.046,  -1.903,  -2.449)  (  1.046,  -1.903,  -2.448)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.039,  -0.779,  -2.945)  ( -0.038,  -0.624,  -2.400)  ( 0.00, 12.08, 18.52)
168:     vdw     ( -0.018,  -4.278,  -1.767)  ( -0.018,  -4.278,  -1.767)  ( 0.00,  0.00,  0.00)
168:     electro (  1.070,  -0.081,  -0.735)  (  1.070,  -0.081,  -0.735)  ( 0.00,  0.00,  0.00)
168: 12       ( -0.151,  -0.223,  -0.298)  ( -0.144,  -0.255,  -0.423)  ( 0.09,  0.71,  3.72)
169: # Testing MMFF94 Force Field...
169: ==============================
169: *** Open Babel Error  in SafeOpen
169:   Unable to open file '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/more-mmff94e4sresults.txt' in read mode
169: Bail out! Cannot read file /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/more-mmff94e4sresults.txt
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3af4_gcp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3afr_icj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aga_rcc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ai8_hnq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ajh_bl3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3akg_ahr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aki_ah8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3akn_11d.sdf
163:     torsion ( -0.013,   0.501,  -2.331)  ( -0.013,   0.501,  -2.328)  ( 0.00,  0.01,  0.13)
163:     vdw     ( -4.596,  -4.209,  -1.153)  ( -4.596,  -4.209,  -1.153)  ( 0.00,  0.00,  0.00)
163:     electro ( -1.154,   1.614,   0.942)  ( -1.154,   1.614,   0.942)  ( 0.00,  0.00,  0.00)
163: 13       (103.292, -167.482, -50.570)  (103.394, -167.413, -50.562)  ( 0.10,  0.04,  0.02)
163:     bond    (101.082, -18.155,  -7.464)  (101.171, -18.100,  -7.460)  ( 0.09,  0.30,  0.06)
163:     angle   ( 10.732, -148.703, -38.696)  ( 10.745, -148.689, -38.695)  ( 0.12,  0.01,  0.00)
163:     torsion ( -0.027,   0.546,  -2.011)  ( -0.027,   0.546,  -2.008)  ( 0.00,  0.01,  0.15)
163:     vdw     ( -8.577,  -1.464,  -3.092)  ( -8.577,  -1.463,  -3.092)  ( 0.00,  0.02,  0.00)
163:     electro (  0.082,   0.294,   0.693)  (  0.082,   0.294,   0.693)  ( 0.00,  0.00,  0.00)
163: 14       (-340.783, 244.004, 103.856)  (-340.702, 244.105, 103.865)  ( 0.02,  0.04,  0.01)
163:     bond    (-242.685, 169.679,  51.566)  (-242.620, 169.756,  51.571)  ( 0.03,  0.05,  0.01)
163:     angle   (-90.118,  80.283,  38.870)  (-90.102,  80.306,  38.871)  ( 0.02,  0.03,  0.00)
163:     torsion (  0.878,  -3.052,  21.109)  (  0.878,  -3.052,  21.112)  ( 0.00,  0.01,  0.02)
163:     vdw     ( -8.858,  -2.905,  -7.690)  ( -8.858,  -2.905,  -7.689)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 15       (-73.315, -132.854, -48.254)  (-73.221, -132.766, -48.244)  ( 0.13,  0.07,  0.02)
163:     bond    (-57.772, -173.544, -48.927)  (-57.694, -173.468, -48.921)  ( 0.14,  0.04,  0.01)
163:     angle   (-12.260,  33.289,  10.647)  (-12.246,  33.300,  10.648)  ( 0.12,  0.03,  0.01)
163:     torsion ( -0.061,   1.973,  -7.707)  ( -0.061,   1.974,  -7.705)  ( 0.00,  0.01,  0.04)
163:     vdw     ( -3.222,   5.428,  -2.267)  ( -3.221,   5.428,  -2.267)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 16       ( 35.176,  96.616,  32.145)  ( 35.277,  96.684,  32.153)  ( 0.28,  0.07,  0.03)
163:     bond    (107.267,  64.420,  20.261)  (107.355,  64.475,  20.266)  ( 0.08,  0.09,  0.02)
163:     angle   (-66.999,  27.788,   6.767)  (-66.988,  27.800,   6.768)  ( 0.02,  0.04,  0.01)
163:     torsion (  0.086,  -0.719,   3.121)  (  0.086,  -0.718,   3.124)  ( 0.00,  0.01,  0.10)
163:     vdw     ( -3.557,   6.031,   1.619)  ( -3.557,   6.031,   1.619)  ( 0.00,  0.00,  0.00)
163:     electro ( -1.620,  -0.904,   0.376)  ( -1.620,  -0.904,   0.376)  ( 0.00,  0.00,  0.00)
163: 17       ( 72.990, -38.251, -125.567)  ( 73.023, -38.214, -125.562)  ( 0.05,  0.10,  0.00)
163:     bond    ( 76.533,  48.205,  -2.919)  ( 76.562,  48.230,  -2.920)  ( 0.04,  0.05,  0.01)
163:     angle   ( 44.783,  15.169,  -6.917)  ( 44.787,  15.180,  -6.916)  ( 0.01,  0.07,  0.02)
163:     torsion ( -4.190,  -0.869, -11.772)  ( -4.190,  -0.869, -11.770)  ( 0.00,  0.01,  0.02)
163:     vdw     (-44.136, -100.757, -103.958)  (-44.136, -100.754, -103.956)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 18       (119.639, -56.704, -193.548)  (119.684, -56.658, -193.499)  ( 0.04,  0.08,  0.03)
163:     bond    ( 90.494, -62.887, -134.670)  ( 90.528, -62.851, -134.631)  ( 0.04,  0.06,  0.03)
163:     angle   (  7.958,   4.349, -58.658)  (  7.967,   4.359, -58.648)  ( 0.11,  0.23,  0.02)
163:     torsion (  6.994,   0.785,  -1.421)  (  6.994,   0.785,  -1.420)  ( 0.01,  0.02,  0.05)
163:     vdw     ( 14.194,   1.049,   1.201)  ( 14.194,   1.049,   1.201)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 19       (-28.867, -137.080, 213.252)  (-28.819, -137.032, 213.302)  ( 0.17,  0.04,  0.02)
163:     bond    ( -2.959, -76.425, 133.671)  ( -2.923, -76.388, 133.709)  ( 1.23,  0.05,  0.03)
163:     angle   (-21.380, -58.465,  80.090)  (-21.369, -58.454,  80.102)  ( 0.05,  0.02,  0.02)
163:     torsion ( -6.308,  -1.853,  -1.783)  ( -6.308,  -1.852,  -1.783)  ( 0.01,  0.02,  0.01)
163:     vdw     (  1.781,  -0.337,   1.274)  (  1.781,  -0.337,   1.274)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 20       (207.909, -466.263,  79.993)  (207.985, -466.174,  80.005)  ( 0.04,  0.02,  0.01)
163:     bond    (182.230, -600.186,  98.639)  (182.294, -600.111,  98.647)  ( 0.04,  0.01,  0.01)
163:     angle   ( 30.140, 138.056, -17.107)  ( 30.152, 138.069, -17.105)  ( 0.04,  0.01,  0.01)
163:     torsion ( -1.300,   0.946,   0.552)  ( -1.300,   0.946,   0.554)  ( 0.03,  0.01,  0.12)
163:     vdw     ( -3.161,  -5.079,  -2.091)  ( -3.161,  -5.079,  -2.091)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 21       (264.766, 1019.746,  41.828)  (264.807, 1019.826,  41.835)  ( 0.02,  0.01,  0.02)
163:     bond    (243.258, 971.230,  40.076)  (243.286, 971.307,  40.079)  ( 0.01,  0.01,  0.01)
163:     angle   ( 14.169,  42.623,   0.148)  ( 14.181,  42.625,   0.150)  ( 0.08,  0.01,  0.03)
163:     torsion ( -1.329,   0.222,   3.722)  ( -1.329,   0.222,   3.723)  ( 0.02,  0.00,  0.04)
163:     vdw     (  8.669,   5.671,  -2.118)  (  8.669,   5.671,  -2.118)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 22       (-402.004, -170.741, -141.440)  (-401.917, -170.640, -141.423)  ( 0.02,  0.06,  0.01)
163:     bond    (-503.192, -178.190, -182.315)  (-503.117, -178.102, -182.302)  ( 0.02,  0.05,  0.01)
163:     angle   (102.277,   0.774,  39.469)  (102.288,   0.786,  39.470)  ( 0.01,  0.93,  0.00)
163:     torsion ( -0.534,   0.081,   1.258)  ( -0.533,   0.081,   1.261)  ( 0.02,  0.00,  0.24)
163:     vdw     ( -0.555,   6.594,   0.148)  ( -0.555,   6.594,   0.148)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 23       (265.191, -645.691, 142.343)  (265.272, -645.583, 142.360)  ( 0.03,  0.02,  0.01)
163:     bond    (398.592, -719.663, 195.944)  (398.659, -719.565, 195.956)  ( 0.02,  0.01,  0.01)
163:     angle   (-135.752,  68.646, -51.584)  (-135.740,  68.656, -51.583)  ( 0.01,  0.01,  0.00)
163:     torsion (  0.753,  -0.118,  -2.003)  (  0.754,  -0.118,  -2.000)  ( 0.04,  0.00,  0.18)
163:     vdw     (  1.598,   5.444,  -0.014)  (  1.598,   5.444,  -0.014)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 24       (-80.570, 704.233, -74.510)  (-80.507, 704.325, -74.494)  ( 0.08,  0.01,  0.02)
163:     bond    ( 93.805, 555.868,   4.190)  ( 93.859, 555.946,   4.203)  ( 0.06,  0.01,  0.31)
163:     angle   (-173.921, 150.290, -79.824)  (-173.912, 150.303, -79.823)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.452,   0.056,   1.226)  ( -0.452,   0.056,   1.228)  ( 0.02,  0.00,  0.21)
163:     vdw     ( -0.003,  -1.981,  -0.103)  ( -0.003,  -1.981,  -0.103)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 25       (138.634, -255.892,  72.775)  (138.719, -255.822,  72.790)  ( 0.06,  0.03,  0.02)
163:     bond    ( 78.315, 129.261,  21.824)  ( 78.391, 129.313,  21.836)  ( 0.10,  0.04,  0.06)
163:     angle   ( 56.522, -381.810,  49.106)  ( 56.530, -381.791,  49.107)  ( 0.01,  0.00,  0.00)
163:     torsion (  0.678,   0.012,  -1.874)  (  0.679,   0.012,  -1.871)  ( 0.03,  0.00,  0.13)
163:     vdw     (  2.878,  -4.540,   3.180)  (  2.878,  -4.540,   3.180)  ( 0.00,  0.01,  0.00)
163:     electro (  0.241,   1.185,   0.538)  (  0.241,   1.185,   0.538)  ( 0.00,  0.00,  0.00)
163: 26       (-136.091, -340.547, -47.481)  (-136.024, -340.460, -47.468)  ( 0.05,  0.03,  0.03)
163:     bond    (-101.762, -361.165,  -9.618)  (-101.706, -361.091,  -9.610)  ( 0.06,  0.02,  0.08)
163:     angle   (-38.960,  23.208, -34.425)  (-38.950,  23.221, -34.422)  ( 0.03,  0.06,  0.01)
163:     torsion (  3.895,  -1.182, -10.458)  (  3.895,  -1.182, -10.457)  ( 0.01,  0.01,  0.02)
163:     vdw     (  0.737,  -1.408,   7.021)  (  0.737,  -1.408,   7.021)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 27       (392.416, -128.937, 160.507)  (392.479, -128.885, 160.518)  ( 0.02,  0.04,  0.01)
162/208 Test #169: test_ffmmff94_6 ..................   Passed    0.03 sec
test 170
        Start 170: test_ffuff_1
170: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "ffuff" "1"
170: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
170: Environment variables: 
170:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
170:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
170: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3am9_fyo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3anl_syc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3anm_syd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ann_sye.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3anq_ehb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3anr_hrm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ans_s38.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ant_s82.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ao2_avx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ao3_bmc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ao4_833.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ao5_bby.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aoc_ery.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aox_emh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3apc_mmd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3apd_mmy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3apf_bmw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3apv_tp0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3apw_dp0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3apx_z80.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aq0_isy.sdf
166:     torsion ( -1.189,  -0.747,  -0.284)  ( -1.189,  -0.747,  -0.284)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.797,   1.923,  -1.593)  ( -3.797,   1.923,  -1.593)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 35       (  0.727,   0.236,   0.113)  (  0.728,   0.237,   0.115)  ( 0.07,  0.02,  0.03)
166:     bond    ( -1.135,   1.111,   3.160)  ( -1.134,   1.111,   3.163)  ( 0.03,  0.03,  0.08)
166:     angle   (  2.191,   0.137,   0.737)  (  2.191,   0.138,   0.737)  ( 0.03,  0.01,  0.01)
166:     strbnd  (  1.028,  -1.182,  -0.643)  (  1.028,  -1.182,  -0.643)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.059,  -1.190,   0.439)  (  0.059,  -1.190,   0.439)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.416,   1.359,  -3.581)  ( -1.416,   1.359,  -3.581)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 36       (  0.488,   0.270,  -0.116)  (  0.489,   0.274,  -0.116)  ( 0.04,  0.09,  0.01)
166:     bond    (  0.456,  -2.299,   0.220)  (  0.456,  -2.296,   0.220)  ( 0.01,  0.14,  0.00)
166:     angle   (  2.467,   0.624,   1.393)  (  2.468,   0.624,   1.393)  ( 0.02,  0.00,  0.04)
166:     strbnd  (  0.024,   1.326,   0.945)  (  0.024,   1.326,   0.945)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.177,  -0.003,  -0.400)  (  0.177,  -0.003,  -0.399)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.636,   0.622,  -2.274)  ( -2.636,   0.622,  -2.274)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 37       (  0.151,   1.287,   0.431)  (  0.152,   1.288,   0.434)  ( 0.02,  0.05,  0.13)
166:     bond    (  1.073,  -0.388,  -2.975)  (  1.074,  -0.388,  -2.972)  ( 0.04,  0.00,  0.10)
166:     angle   ( -0.794,   2.840,  -0.658)  ( -0.793,   2.841,  -0.658)  ( 0.04,  0.02,  0.00)
166:     strbnd  ( -0.284,   0.981,   1.653)  ( -0.284,   0.981,   1.653)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.057,  -0.640,  -0.298)  ( -1.057,  -0.640,  -0.298)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.212,  -1.506,   2.709)  (  1.212,  -1.506,   2.709)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 38       (  0.339,   0.476,   1.257)  (  0.340,   0.479,   1.258)  ( 0.03,  0.15,  0.04)
166:     bond    ( -0.805,   4.071,   0.318)  ( -0.805,   4.074,   0.318)  ( 0.01,  0.08,  0.00)
166:     angle   (  5.353,   1.181,  -1.582)  (  5.354,   1.181,  -1.581)  ( 0.01,  0.00,  0.03)
166:     strbnd  (  0.930,  -1.391,  -0.658)  (  0.930,  -1.391,  -0.658)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.899,  -0.571,   2.506)  ( -1.899,  -0.571,   2.506)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.240,  -2.814,   0.673)  ( -3.240,  -2.814,   0.673)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 39       (  0.197,   1.934,  -0.224)  (  0.197,   1.941,  -0.201)  ( 0.01,  0.38,  0.52)
166:     bond    ( -0.322,   6.022,  -1.065)  ( -0.322,   6.026,  -1.065)  ( 0.00,  0.06,  0.01)
166:     angle   ( -3.546,  -0.243,  -0.303)  ( -3.546,  -0.243,  -0.303)  ( 0.02,  0.00,  0.00)
166:     strbnd  (  0.529,  -2.091,   0.417)  (  0.529,  -2.091,   0.417)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.017,   0.060,   0.336)  (  0.017,   0.060,   0.337)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.010,  -0.029,  -0.170)  (  0.009,  -0.026,  -0.147)  ( 0.00,  0.01,  0.39)
166:     vdw     (  2.635,  -1.088,   0.220)  (  2.635,  -1.088,   0.220)  ( 0.00,  0.00,  0.00)
166:     electro (  0.875,  -0.697,   0.340)  (  0.875,  -0.697,   0.340)  ( 0.00,  0.00,  0.00)
166: 40       (  0.840,  -0.019,  -0.312)  (  0.841,  -0.018,  -0.309)  ( 0.11,  0.00,  0.07)
166:     bond    ( -1.264,   0.699,  -1.919)  ( -1.263,   0.699,  -1.917)  ( 0.07,  0.02,  0.11)
166:     angle   (  0.476,   0.291,  -0.208)  (  0.477,   0.292,  -0.208)  ( 0.02,  0.02,  0.00)
166:     strbnd  (  0.323,   0.150,   1.507)  (  0.323,   0.150,   1.507)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.949,   0.716,  -0.364)  (  0.949,   0.716,  -0.364)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.355,  -1.875,   0.672)  (  0.355,  -1.875,   0.672)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 41       (  0.302,   0.253,  -0.644)  (  0.303,   0.254,  -0.641)  ( 0.04,  0.02,  0.15)
166:     bond    ( -1.052,   0.652,   1.694)  ( -1.051,   0.653,   1.696)  ( 0.08,  0.02,  0.13)
166:     angle   (  1.336,   3.153,  -0.385)  (  1.337,   3.153,  -0.384)  ( 0.03,  0.02,  0.01)
166:     strbnd  (  0.202,   0.175,  -1.360)  (  0.202,   0.175,  -1.360)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.348,  -0.299,  -0.101)  ( -0.348,  -0.299,  -0.101)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.164,  -3.428,  -0.491)  (  0.164,  -3.428,  -0.491)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 42       (  0.242,  -0.051,   0.087)  (  0.243,  -0.051,   0.090)  ( 0.02,  0.00,  0.03)
166:     bond    (  0.344,   0.091,  -1.789)  (  0.344,   0.091,  -1.786)  ( 0.00,  0.00,  0.18)
166:     angle   ( -2.274,   1.718,  -0.351)  ( -2.274,   1.718,  -0.351)  ( 0.02,  0.03,  0.00)
166:     strbnd  (  0.055,   0.966,   0.467)  (  0.055,   0.966,   0.467)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.347,   0.529,   0.094)  (  0.347,   0.529,   0.094)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.770,  -3.355,   1.666)  (  1.770,  -3.355,   1.666)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 43       (  0.647,   0.422,  -0.099)  (  0.648,   0.424,  -0.099)  ( 0.07,  0.12,  0.01)
166:     bond    ( -0.598,   1.361,   0.419)  ( -0.597,   1.363,   0.420)  ( 0.03,  0.19,  0.01)
166:     angle   (  0.254,   1.061,  -3.086)  (  0.255,   1.061,  -3.085)  ( 0.01,  0.01,  0.02)
166:     strbnd  (  0.585,   0.274,  -0.771)  (  0.585,   0.274,  -0.771)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.431,  -0.894,   2.291)  ( -0.431,  -0.894,   2.291)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.837,  -1.379,   1.046)  (  0.837,  -1.379,   1.046)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 44       ( -0.948,   0.980,   0.797)  ( -0.947,   0.982,   0.799)  ( 0.08,  0.11,  0.21)
166:     bond    ( -0.079,  -0.094,  -0.209)  ( -0.078,  -0.094,  -0.207)  ( 0.00,  0.00,  0.05)
166:     angle   ( -1.561,   3.754,  -1.115)  ( -1.561,   3.755,  -1.115)  ( 0.03,  0.01,  0.01)
166:     strbnd  ( -1.025,   0.299,   0.384)  ( -1.025,   0.299,   0.384)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.309,  -1.025,   0.349)  (  0.309,  -1.025,   0.349)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.408,  -1.954,   1.389)  (  1.408,  -1.954,   1.389)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 45       (  0.684,   0.907,   1.369)  (  0.687,   0.908,   1.370)  ( 0.16,  0.08,  0.09)
166:     bond    ( -1.901,   0.820,   1.194)  ( -1.899,   0.820,   1.195)  ( 0.11,  0.03,  0.07)
166:     angle   ( -0.217,  -0.147,  -0.244)  ( -0.216,  -0.146,  -0.243)  ( 0.00,  0.01,  0.01)
166:     strbnd  ( -0.303,  -0.559,  -1.117)  ( -0.303,  -0.559,  -1.117)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.043,   1.144,   0.873)  (  1.043,   1.144,   0.873)  ( 0.00,  0.00,  0.00)
168:     bond    ( -6.964,  10.847,  -2.041)  ( -6.957,  10.853,  -2.041)  ( 0.09,  0.05,  0.02)
168:     angle   (  3.466, -18.735,   1.444)  (  3.468, -18.732,   1.444)  ( 0.06,  0.01,  0.03)
168:     strbnd  (  5.241,  10.045,  -1.635)  (  5.240,  10.043,  -1.635)  ( 0.02,  0.01,  0.00)
168:     torsion ( -0.277,  -0.199,   0.243)  ( -0.277,  -0.199,   0.244)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.002,   0.243,   0.879)  ( -0.003,   0.205,   0.753)  ( 0.00,  0.94, 11.08)
168:     vdw     ( -1.680,  -2.461,   0.754)  ( -1.680,  -2.461,   0.754)  ( 0.00,  0.00,  0.00)
168:     electro (  0.066,   0.037,   0.059)  (  0.066,   0.037,   0.059)  ( 0.00,  0.00,  0.00)
168: 13       ( -0.934,   4.770,   0.246)  ( -0.930,   4.786,   0.303)  ( 0.38,  0.34,  1.41)
168:     bond    ( -0.615,   7.046,  -1.142)  ( -0.607,   7.052,  -1.141)  ( 0.46,  0.08,  0.02)
168:     angle   (  9.671,  -9.830,   1.897)  (  9.673,  -9.828,   1.897)  ( 0.02,  0.02,  0.00)
168:     strbnd  (  1.450,  -2.787,   0.428)  (  1.450,  -2.788,   0.428)  ( 0.05,  0.05,  0.00)
168:     torsion ( -0.027,   0.521,  -1.869)  ( -0.027,   0.521,  -1.868)  ( 0.00,  0.00,  0.05)
168:     oop     (  0.024,  -0.050,  -0.214)  (  0.019,  -0.041,  -0.158)  ( 0.01,  0.05,  1.20)
168:     vdw     (-11.109,   9.890,   1.556)  (-11.109,   9.890,   1.556)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.327,  -0.020,  -0.411)  ( -0.327,  -0.020,  -0.411)  ( 0.00,  0.00,  0.00)
168: 14       (  6.423,  -5.117,   0.699)  (  6.432,  -5.100,   0.728)  ( 0.14,  0.33,  2.05)
168:     bond    (-12.462, -21.961,   0.624)  (-12.457, -21.955,   0.624)  ( 0.04,  0.02,  0.01)
168:     angle   ( 21.478,  16.756,  -1.059)  ( 21.481,  16.758,  -1.059)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -5.263,  -1.582,  -0.270)  ( -5.263,  -1.582,  -0.270)  ( 0.01,  0.03,  0.00)
168:     torsion ( -0.035,  -0.626,   1.222)  ( -0.035,  -0.626,   1.223)  ( 0.00,  0.00,  0.11)
168:     oop     (  0.004,  -0.049,  -0.081)  (  0.005,  -0.039,  -0.053)  ( 0.00,  0.05,  0.23)
168:     vdw     (  2.604,   2.443,   0.387)  (  2.604,   2.443,   0.387)  ( 0.00,  0.00,  0.00)
168:     electro (  0.097,  -0.098,  -0.124)  (  0.097,  -0.098,  -0.124)  ( 0.00,  0.00,  0.00)
168: 15       ( -5.131,   0.618,  -0.838)  ( -5.081,   0.621,  -0.540)  ( 0.97,  0.16, 24.88)
168:     bond    ( 11.061,   5.919,  -3.067)  ( 11.066,   5.923,  -3.067)  ( 0.04,  0.08,  0.01)
168:     angle   (-12.299, -15.141,  -0.481)  (-12.297, -15.140,  -0.481)  ( 0.02,  0.01,  0.00)
168:     strbnd  ( -3.290,   0.620,   0.718)  ( -3.290,   0.620,   0.718)  ( 0.00,  0.01,  0.00)
168:     torsion ( -0.712,  -0.073,   3.004)  ( -0.712,  -0.073,   3.005)  ( 0.00,  0.00,  0.05)
168:     oop     ( -0.261,   0.034,  -1.913)  ( -0.218,   0.030,  -1.617)  ( 1.11,  0.01, 15.44)
168:     vdw     (  0.370,   9.262,   0.830)  (  0.370,   9.262,   0.830)  ( 0.00,  0.00,  0.00)
168:     electro (  0.001,  -0.002,   0.071)  (  0.001,  -0.002,   0.071)  ( 0.00,  0.00,  0.00)
168: 16       ( -0.060,   0.192,   1.754)  ( -0.067,   0.202,   1.620)  ( 0.04,  0.20,  7.61)
168:     bond    ( 14.452, -16.403,  -3.890)  ( 14.458, -16.398,  -3.890)  ( 0.04,  0.03,  0.01)
168:     angle   (-10.953,   5.321,   1.176)  (-10.951,   5.322,   1.176)  ( 0.02,  0.03,  0.00)
168:     strbnd  (  6.693,   8.480,  -0.639)  (  6.693,   8.479,  -0.639)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.233,  -0.130,   1.677)  (  0.233,  -0.130,   1.679)  ( 0.00,  0.00,  0.08)
168:     oop     (  0.089,  -0.027,   0.816)  (  0.074,  -0.024,   0.681)  ( 0.13,  0.01, 11.01)
168:     vdw     (-10.495,   2.954,   2.887)  (-10.495,   2.954,   2.887)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.079,  -0.002,  -0.273)  ( -0.079,  -0.002,  -0.273)  ( 0.00,  0.00,  0.00)
168: 17       ( -0.394,   0.572,   1.427)  ( -0.386,   0.578,   1.432)  ( 0.31,  0.35,  0.35)
168:     bond    ( 11.943,  13.623,   0.244)  ( 11.949,  13.628,   0.244)  ( 0.05,  0.04,  0.01)
168:     angle   (  1.276,  -3.469,  -0.726)  (  1.277,  -3.467,  -0.726)  ( 0.13,  0.05,  0.00)
168:     strbnd  (  0.726,  -3.329,  -0.300)  (  0.726,  -3.330,  -0.300)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.227,  -0.156,   1.421)  (  0.227,  -0.156,   1.422)  ( 0.00,  0.00,  0.09)
168:     oop     ( -0.004,   0.002,  -0.021)  ( -0.003,   0.002,  -0.018)  ( 0.00,  0.00,  0.01)
168:     vdw     (-14.498,  -6.002,   0.935)  (-14.498,  -6.002,   0.935)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.064,  -0.097,  -0.125)  ( -0.064,  -0.097,  -0.125)  ( 0.00,  0.00,  0.00)
168: 18       ( -0.671,  -0.480,   0.669)  ( -0.666,  -0.470,   0.643)  ( 0.29,  0.48,  1.73)
168:     bond    ( -3.720,  10.016,   1.464)  ( -3.714,  10.021,   1.464)  ( 0.15,  0.06,  0.01)
168:     angle   (  3.372,   1.996,  -0.096)  (  3.374,   1.998,  -0.096)  ( 0.05,  0.09,  0.00)
168:     strbnd  (  1.201,  -0.848,  -0.145)  (  1.201,  -0.848,  -0.145)  ( 0.02,  0.01,  0.00)
168:     torsion (  0.005,  -0.001,   0.213)  (  0.005,  -0.001,   0.214)  ( 0.00,  0.00,  0.03)
168:     oop     (  0.015,  -0.016,   0.164)  (  0.013,  -0.013,   0.137)  ( 0.00,  0.00,  0.45)
168:     vdw     ( -1.486, -11.784,  -0.891)  ( -1.486, -11.784,  -0.891)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.059,   0.157,  -0.040)  ( -0.059,   0.157,  -0.040)  ( 0.00,  0.00,  0.00)
168: 19       ( -0.361,   0.252,  -0.085)  ( -0.352,   0.256,  -0.053)  ( 0.36,  0.11,  0.27)
168:     bond    ( -3.439,  12.608,   1.190)  ( -3.434,  12.614,   1.190)  ( 0.17,  0.04,  0.02)
168:     angle   ( -7.033,   2.531,   1.010)  ( -7.031,   2.533,   1.010)  ( 0.02,  0.06,  0.01)
168:     strbnd  ( -0.939,  -6.205,  -0.494)  ( -0.939,  -6.206,  -0.494)  ( 0.02,  0.00,  0.00)
168:     torsion (  0.083,  -0.036,   0.405)  (  0.083,  -0.036,   0.406)  ( 0.00,  0.00,  0.05)
168:     oop     ( -0.015,   0.016,  -0.180)  ( -0.012,   0.013,  -0.149)  ( 0.00,  0.00,  0.55)
168:     vdw     ( 11.128,  -8.501,  -1.965)  ( 11.128,  -8.501,  -1.965)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.147,  -0.161,  -0.052)  ( -0.147,  -0.161,  -0.052)  ( 0.00,  0.00,  0.00)
168: 20       (  0.033,   0.210,  -0.198)  (  0.028,   0.218,  -0.269)  ( 0.01,  0.15,  1.41)
168:     bond    (-23.028,   1.536,   2.475)  (-23.023,   1.541,   2.475)  ( 0.02,  0.33,  0.01)
168:     angle   ( 15.846,  -1.882,  -2.254)  ( 15.848,  -1.881,  -2.254)  ( 0.01,  0.09,  0.00)
168:     strbnd  ( -4.096,   7.781,   0.817)  ( -4.097,   7.781,   0.817)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.129,   0.136,   0.405)  (  0.129,   0.136,   0.407)  ( 0.00,  0.00,  0.05)
168:     oop     (  0.078,  -0.007,   0.518)  (  0.066,  -0.007,   0.445)  ( 0.09,  0.00,  3.76)
168:     vdw     ( 11.264,  -7.207,  -2.094)  ( 11.264,  -7.207,  -2.094)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.159,  -0.145,  -0.065)  ( -0.159,  -0.145,  -0.065)  ( 0.00,  0.00,  0.00)
168: 21       (  0.580,  -0.053,  -0.235)  (  0.591,  -0.122,  -0.471)  ( 0.61,  0.37,  5.54)
168:     bond    (  7.503, -21.569,  13.282)  (  7.507, -21.565,  13.286)  ( 0.05,  0.02,  0.03)
168:     angle   ( -8.074,  14.944, -23.421)  ( -8.072,  14.947, -23.419)  ( 0.03,  0.01,  0.01)
168:     strbnd  (  2.250,   2.780,   1.796)  (  2.249,   2.779,   1.795)  ( 0.04,  0.04,  0.03)
168:     torsion ( -0.293,   1.133,   8.011)  ( -0.293,   1.133,   8.011)  ( 0.00,  0.01,  0.00)
168:     oop     ( -0.019,   0.274,   0.893)  ( -0.014,   0.200,   0.651)  ( 0.01,  2.04, 21.55)
168:     vdw     ( -0.617,   2.348,  -0.996)  ( -0.617,   2.348,  -0.996)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.170,   0.037,   0.202)  ( -0.170,   0.037,   0.202)  ( 0.00,  0.00,  0.00)
168: 22       (  0.335,  -0.174,   0.517)  (  0.341,  -0.168,   0.522)  ( 0.18,  0.10,  0.29)
168:     bond    ( 10.845,  -2.778,  -8.094)  ( 10.850,  -2.774,  -8.090)  ( 0.04,  0.15,  0.05)
168:     angle   ( -9.008,  -1.801,   6.507)  ( -9.006,  -1.799,   6.508)  ( 0.02,  0.10,  0.03)
168:     strbnd  (  0.507,  -2.141,   2.316)  (  0.507,  -2.141,   2.315)  ( 0.04,  0.02,  0.03)
168:     torsion (  0.379,   2.149,  -1.075)  (  0.379,   2.149,  -1.075)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.389,   4.398,   0.864)  ( -2.389,   4.398,   0.864)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 23       ( -0.056,  -0.173,  -0.298)  ( -0.051,  -0.167,  -0.292)  ( 0.03,  0.09,  0.18)
168:     bond    ( -9.863,  -5.250,   2.250)  ( -9.858,  -5.246,   2.255)  ( 0.04,  0.08,  0.21)
168:     angle   ( 12.507,   0.572,   0.600)  ( 12.509,   0.573,   0.602)  ( 0.02,  0.10,  0.10)
168:     strbnd  (  0.608,  -3.802,   1.723)  (  0.607,  -3.803,   1.722)  ( 0.05,  0.02,  0.03)
168:     torsion ( -1.338,   1.223,  -0.733)  ( -1.338,   1.223,  -0.733)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.970,   7.085,  -4.139)  ( -1.970,   7.085,  -4.139)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 24       ( -2.968,  -0.603,  -1.089)  ( -2.963,  -0.598,  -1.087)  ( 0.17,  0.31,  0.24)
168:     bond    ( -0.866, -18.509,   3.882)  ( -0.862, -18.505,   3.887)  ( 0.40,  0.02,  0.12)
168:     angle   (  5.959,  26.024,  -8.109)  (  5.962,  26.026,  -8.108)  ( 0.04,  0.01,  0.02)
168:     strbnd  (-10.525,  -2.634,   0.562)  (-10.527,  -2.635,   0.562)  ( 0.02,  0.03,  0.02)
168:     torsion ( -0.876,  -1.089,   1.253)  ( -0.876,  -1.089,   1.253)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.001,   0.002,   0.014)  ( -0.000,   0.002,   0.010)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.349,  -4.597,   0.926)  (  2.349,  -4.597,   0.926)  ( 0.01,  0.00,  0.00)
168:     electro (  0.991,   0.199,   0.382)  (  0.991,   0.199,   0.382)  ( 0.00,  0.00,  0.00)
168: 25       ( -0.014,  -0.101,  -0.165)  ( -0.009,  -0.095,  -0.159)  ( 0.01,  0.06,  0.10)
168:     bond    ( -3.870,  12.275,  -0.924)  ( -3.866,  12.279,  -0.920)  ( 0.10,  0.03,  0.41)
168:     angle   ( -5.572, -18.333,   5.423)  ( -5.570, -18.330,   5.425)  ( 0.04,  0.01,  0.03)
168:     strbnd  ( -1.114,  -2.631,  -0.165)  ( -1.115,  -2.631,  -0.166)  ( 0.10,  0.02,  0.00)
168:     torsion (  3.318,  -0.490,  -3.647)  (  3.318,  -0.490,  -3.647)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  7.225,   9.078,  -0.852)  (  7.225,   9.078,  -0.852)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 26       ( -2.572,   0.175,  -0.401)  ( -2.567,   0.181,  -0.395)  ( 0.18,  0.10,  0.23)
168:     bond    (  4.426, -15.861,  -0.954)  (  4.429, -15.857,  -0.949)  ( 0.08,  0.03,  0.45)
168:     angle   ( -8.266,  12.873,  -7.689)  ( -8.264,  12.875,  -7.687)  ( 0.02,  0.02,  0.03)
168:     strbnd  (  1.193,   5.294,   4.137)  (  1.192,   5.293,   4.136)  ( 0.07,  0.01,  0.03)
168:     torsion ( -0.164,  -0.701,   3.652)  ( -0.164,  -0.701,   3.652)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.542,  -1.377,   0.272)  ( -0.542,  -1.377,   0.272)  ( 0.01,  0.00,  0.00)
168:     electro (  0.781,  -0.052,   0.181)  (  0.781,  -0.052,   0.181)  ( 0.00,  0.00,  0.00)
168: 27       ( -0.131,   0.200,   0.315)  ( -0.126,   0.205,   0.322)  ( 0.06,  0.11,  0.19)
168:     bond    ( -1.243,  14.723,   1.076)  ( -1.239,  14.727,   1.080)  ( 0.30,  0.03,  0.41)
168:     angle   ( -2.830, -11.271,   1.923)  ( -2.828, -11.269,   1.924)  ( 0.07,  0.02,  0.10)
168:     strbnd  (  1.105,  -0.095,   0.631)  (  1.104,  -0.095,   0.630)  ( 0.10,  0.01,  0.02)
168:     torsion (  1.263,  -4.544,  -4.977)  (  1.263,  -4.544,  -4.977)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.574,   1.387,   1.663)  (  1.574,   1.387,   1.663)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 28       ( -7.675,  -0.990,   1.850)  ( -7.670,  -0.984,   1.855)  ( 0.07,  0.60,  0.26)
168:     bond    ( -2.953, -11.140,   2.764)  ( -2.949, -11.136,   2.768)  ( 0.12,  0.04,  0.15)
168:     angle   ( -6.707,  11.635,   3.591)  ( -6.705,  11.637,   3.594)  ( 0.03,  0.02,  0.06)
168:     strbnd  (  1.933,  -1.383,  -4.721)  (  1.932,  -1.383,  -4.722)  ( 0.05,  0.02,  0.03)
168:     torsion ( -0.767,   1.045,   0.680)  ( -0.767,   1.045,   0.680)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.685,  -1.579,   0.134)  ( -1.684,  -1.579,   0.134)  ( 0.01,  0.00,  0.00)
168:     electro (  2.504,   0.432,  -0.598)  (  2.504,   0.432,  -0.598)  ( 0.00,  0.00,  0.00)
168: 29       ( -0.232,  -0.372,  -1.097)  ( -0.323,  -0.236,  -1.026)  ( 2.10,  5.04,  6.49)
168:     bond    ( -3.268,   7.249,   5.605)  ( -3.264,   7.254,   5.609)  ( 0.11,  0.06,  0.08)
168:     angle   (  1.228,  -5.262,  -5.708)  (  1.229,  -5.261,  -5.706)  ( 0.14,  0.03,  0.04)
168:     strbnd  ( -1.075,   1.910,   2.578)  ( -1.075,   1.910,   2.578)  ( 0.06,  0.02,  0.02)
168:     torsion ( -1.983,  -2.819,  -0.108)  ( -1.983,  -2.819,  -0.108)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.919,  -1.262,  -0.629)  (  0.825,  -1.132,  -0.564)  ( 8.72, 10.33,  4.10)
168:     vdw     (  3.898,  -0.356,  -3.193)  (  3.898,  -0.356,  -3.193)  ( 0.00,  0.00,  0.00)
168:     electro (  0.048,   0.168,   0.357)  (  0.048,   0.168,   0.357)  ( 0.00,  0.00,  0.00)
168: 30       (  1.016,   2.220,   3.568)  (  1.737,   1.301,   3.105)  (70.91, 41.39, 12.97)
168:     bond    ( -1.273,  -3.810,   6.037)  ( -1.269,  -3.807,   6.047)  ( 0.30,  0.07,  0.16)
168:     angle   (  1.224,   1.913,   5.350)  (  1.225,   1.914,   5.352)  ( 0.15,  0.07,  0.03)
168:     strbnd  ( -1.468,   0.550,  -3.069)  ( -1.469,   0.549,  -3.071)  ( 0.07,  0.04,  0.07)
168:     torsion ( -0.091,   0.173,   0.599)  ( -0.091,   0.173,   0.599)  ( 0.00,  0.00,  0.00)
168:     oop     ( -3.638,   4.815,   2.435)  ( -2.922,   3.893,   1.963)  (19.69, 19.15, 19.39)
168:     vdw     (  6.948,  -1.148,  -6.767)  (  6.948,  -1.148,  -6.767)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.686,  -0.273,  -1.017)  ( -0.686,  -0.273,  -1.017)  ( 0.00,  0.00,  0.00)
168: 31       (  2.419,  -0.986,  -2.275)  (  2.104,  -0.579,  -2.060)  (13.02, 40.06,  9.46)
168:     bond    (  0.058,   0.328,  -0.551)  (  0.058,   0.330,  -0.546)  ( 0.00,  0.06,  0.28)
168:     angle   ( -2.127,  -1.116,  -0.901)  ( -2.127,  -1.116,  -0.901)  ( 0.03,  0.02,  0.01)
168:     strbnd  ( -0.372,  -0.811,   1.064)  ( -0.372,  -0.811,   1.064)  ( 0.00,  0.01,  0.01)
168:     torsion (  0.357,  -0.491,  -0.258)  (  0.357,  -0.491,  -0.258)  ( 0.00,  0.00,  0.00)
168:     oop     (  1.362,  -1.784,  -0.930)  (  1.047,  -1.380,  -0.720)  (23.18, 22.66, 19.55)
168:     vdw     (  3.653,   3.015,  -1.101)  (  3.653,   3.015,  -1.101)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.512,  -0.127,   0.402)  ( -0.512,  -0.127,   0.402)  ( 0.00,  0.00,  0.00)
168: 32       (  5.348,   0.730,  -4.432)  (  5.046,   1.120,  -4.230)  ( 5.64, 28.45,  4.56)
168:     bond    ( -3.495,  -0.110,  -5.185)  ( -3.493,  -0.110,  -5.181)  ( 0.06,  0.00,  0.09)
168:     angle   (  0.338,   0.315,  -0.235)  (  0.339,   0.316,  -0.235)  ( 0.01,  0.02,  0.00)
168:     strbnd  (  0.426,  -0.497,   1.754)  (  0.426,  -0.497,   1.754)  ( 0.01,  0.00,  0.01)
168:     torsion ( -0.160,   0.219,   0.103)  ( -0.160,   0.219,   0.103)  ( 0.00,  0.00,  0.00)
168:     oop     (  1.355,  -1.770,  -0.876)  (  1.050,  -1.382,  -0.679)  (22.48, 21.97, 17.28)
168:     vdw     (  8.930,   2.395,  -1.527)  (  8.930,   2.395,  -1.527)  ( 0.00,  0.00,  0.00)
168:     electro ( -2.046,   0.178,   1.533)  ( -2.046,   0.178,   1.533)  ( 0.00,  0.00,  0.00)
168: 33       (  7.505,  -1.009,   1.807)  (  7.506,  -1.002,   1.810)  ( 0.01,  0.66,  0.20)
168:     bond    ( -0.019,  -1.678,  -1.610)  ( -0.019,  -1.671,  -1.608)  ( 0.00,  0.37,  0.18)
168:     angle   (  8.749,  -2.680,   5.549)  (  8.750,  -2.680,   5.550)  ( 0.01,  0.01,  0.02)
168:     strbnd  (  0.282,  -2.395,  -3.567)  (  0.282,  -2.395,  -3.567)  ( 0.00,  0.00,  0.01)
168:     torsion ( -0.756,   0.926,  -0.619)  ( -0.756,   0.926,  -0.619)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.059,   4.362,   2.702)  (  2.059,   4.362,   2.702)  ( 0.01,  0.00,  0.00)
168:     electro ( -2.810,   0.456,  -0.648)  ( -2.810,   0.456,  -0.648)  ( 0.00,  0.00,  0.00)
168: 34       ( 10.521,   3.577,  -4.419)  ( 10.527,   3.578,  -4.416)  ( 0.06,  0.02,  0.08)
168:     bond    ( 13.740,   3.045, -11.264)  ( 13.745,   3.046, -11.261)  ( 0.04,  0.01,  0.03)
168:     angle   (  3.434,  -0.862,  -3.531)  (  3.435,  -0.861,  -3.530)  ( 0.02,  0.04,  0.03)
168:     strbnd  ( -0.868,  -0.657,   2.046)  ( -0.868,  -0.658,   2.046)  ( 0.01,  0.00,  0.02)
170: # Testing UFF Force Field...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aqa_byh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aqc_2de.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ar7_tg1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ara_mkh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3arn_msj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3asj_xym.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3asj_xyn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ask_m3l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3asx_d99.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3at3_atk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3at4_cck.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3au9_fom.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aua_f98.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aun_yr4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3aur_ca9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3avp_mv2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3avq_mv1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ax7_xax.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ax8_eim.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3axw_tid.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3az1_ds2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3az2_ds3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3az3_ds6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b03_vnr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b04_oop.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b05_fnr.sdf
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.062,  -0.352,   0.663)  (  2.062,  -0.352,   0.663)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 46       (  0.367,  -0.348,   0.007)  (  0.368,  -0.346,   0.010)  ( 0.03,  0.04,  0.00)
166:     bond    ( -0.743,   1.942,   5.648)  ( -0.743,   1.943,   5.651)  ( 0.01,  0.02,  0.05)
166:     angle   ( -0.834,   2.429,  -0.945)  ( -0.833,   2.430,  -0.945)  ( 0.05,  0.03,  0.01)
166:     strbnd  ( -0.401,  -0.284,  -2.968)  ( -0.401,  -0.284,  -2.968)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.439,  -1.217,   0.361)  ( -0.439,  -1.217,   0.361)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.784,  -3.218,  -2.089)  (  2.784,  -3.218,  -2.089)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 47       (  0.015,  -0.265,   0.203)  (  0.016,  -0.264,   0.204)  ( 0.00,  0.04,  0.03)
166:     bond    (  0.405,  -0.387,  -0.424)  (  0.406,  -0.386,  -0.423)  ( 0.05,  0.04,  0.05)
166:     angle   ( -2.172,  -2.780,   0.450)  ( -2.171,  -2.779,   0.451)  ( 0.02,  0.01,  0.02)
166:     strbnd  ( -0.734,   0.044,   1.793)  ( -0.734,   0.044,   1.793)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.276,  -0.075,  -0.196)  ( -0.276,  -0.075,  -0.196)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.791,   2.933,  -1.421)  (  2.791,   2.933,  -1.421)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 48       ( -0.723,  -0.153,  -2.370)  ( -0.721,  -0.151,  -2.369)  ( 0.12,  0.03,  0.05)
166:     bond    ( -0.977,   1.037,   0.786)  ( -0.976,   1.038,   0.787)  ( 0.12,  0.13,  0.06)
166:     angle   ( -0.242,   0.074,  -0.397)  ( -0.241,   0.074,  -0.397)  ( 0.01,  0.00,  0.01)
166:     strbnd  (  0.015,  -0.149,  -2.101)  (  0.015,  -0.149,  -2.101)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.303,   0.391,  -0.890)  ( -0.303,   0.391,  -0.890)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.783,  -1.505,   0.233)  (  0.783,  -1.505,   0.233)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 49       (  0.608,  -1.419,  -1.523)  (  0.609,  -1.418,  -1.520)  ( 0.04,  0.06,  0.21)
166:     bond    ( -0.234,   0.800,  -3.501)  ( -0.234,   0.800,  -3.498)  ( 0.00,  0.01,  0.09)
166:     angle   ( -0.364,  -2.283,  -0.498)  ( -0.363,  -2.283,  -0.498)  ( 0.02,  0.02,  0.00)
166:     strbnd  ( -1.308,   0.802,   1.925)  ( -1.308,   0.802,   1.925)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.209,  -1.267,  -0.371)  (  1.209,  -1.267,  -0.371)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.305,   0.529,   0.922)  (  1.305,   0.529,   0.922)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 50       ( -1.926,  -0.688,  -1.325)  ( -1.925,  -0.687,  -1.323)  ( 0.05,  0.11,  0.15)
166:     bond    (  1.132,  -1.684,  -2.127)  (  1.132,  -1.683,  -2.125)  ( 0.04,  0.07,  0.08)
166:     angle   ( -0.386,   0.713,  -0.771)  ( -0.386,   0.714,  -0.771)  ( 0.02,  0.03,  0.02)
166:     strbnd  ( -0.234,  -0.477,   1.916)  ( -0.234,  -0.478,   1.916)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.839,   0.814,  -1.092)  ( -0.839,   0.814,  -1.092)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.600,  -0.054,   0.749)  ( -1.600,  -0.054,   0.749)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 51       (  0.141,  -0.997,  -1.237)  (  0.142,  -0.996,  -1.234)  ( 0.01,  0.10,  0.23)
166:     bond    ( -0.459,   0.602,  -1.366)  ( -0.459,   0.603,  -1.364)  ( 0.01,  0.03,  0.19)
166:     angle   ( -4.840,  -2.593,   0.483)  ( -4.839,  -2.592,   0.483)  ( 0.01,  0.02,  0.01)
166:     strbnd  ( -0.066,  -0.914,  -1.669)  ( -0.066,  -0.914,  -1.669)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.609,  -0.569,  -0.456)  (  0.609,  -0.569,  -0.456)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.897,   2.477,   1.772)  (  4.897,   2.477,   1.772)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 52       ( -2.339,   0.741,   1.932)  ( -2.338,   0.742,   1.935)  ( 0.04,  0.05,  0.15)
166:     bond    ( -0.579,   0.431,  -1.609)  ( -0.579,   0.431,  -1.606)  ( 0.02,  0.01,  0.17)
166:     angle   ( -0.609,   2.084,   0.779)  ( -0.609,   2.085,   0.779)  ( 0.03,  0.02,  0.01)
166:     strbnd  (  0.098,   0.859,   1.399)  (  0.098,   0.859,   1.399)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.384,  -0.338,   0.048)  ( -0.384,  -0.338,   0.048)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.864,  -2.295,   1.315)  ( -0.864,  -2.295,   1.315)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 53       (  0.056,  -1.491,   2.539)  (  0.057,  -1.489,   2.541)  ( 0.01,  0.13,  0.06)
166:     bond    ( -1.594,   2.825,   2.595)  ( -1.593,   2.827,   2.597)  ( 0.03,  0.05,  0.05)
166:     angle   ( -1.514,  -2.295,   1.569)  ( -1.514,  -2.295,   1.569)  ( 0.03,  0.01,  0.02)
166:     strbnd  (  0.494,  -0.602,  -2.308)  (  0.494,  -0.602,  -2.308)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.240,  -0.042,   0.806)  (  1.240,  -0.042,   0.806)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.431,  -1.377,  -0.123)  (  1.431,  -1.377,  -0.123)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 54       ( -1.751,  -1.353,   0.152)  ( -1.750,  -1.352,   0.155)  ( 0.04,  0.06,  0.05)
166:     bond    ( -0.353,   0.090,   4.018)  ( -0.353,   0.090,   4.021)  ( 0.00,  0.00,  0.08)
166:     angle   ( -0.173,  -0.584,  -0.002)  ( -0.173,  -0.583,  -0.002)  ( 0.01,  0.04,  0.00)
166:     strbnd  (  0.100,  -0.938,  -1.958)  (  0.100,  -0.938,  -1.958)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.477,  -0.328,  -0.122)  ( -1.476,  -0.328,  -0.122)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.153,   0.407,  -1.784)  (  0.153,   0.407,  -1.784)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 55       ( -0.691,  -0.566,  -0.526)  ( -0.688,  -0.566,  -0.525)  ( 0.22,  0.04,  0.04)
166:     bond    ( -0.658,  -0.057,  -0.193)  ( -0.655,  -0.057,  -0.193)  ( 0.21,  0.00,  0.01)
166:     angle   (  0.205,  -4.548,   0.655)  (  0.205,  -4.547,   0.655)  ( 0.00,  0.01,  0.03)
166:     strbnd  ( -0.169,  -0.573,  -0.356)  ( -0.169,  -0.573,  -0.356)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.064,   0.110,  -0.250)  (  0.064,   0.110,  -0.250)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.132,   4.501,  -0.381)  ( -0.132,   4.502,  -0.381)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 56       ( -1.939,  -2.205,   0.809)  ( -1.938,  -2.204,   0.812)  ( 0.03,  0.03,  0.27)
166:     bond    ( -0.033,  -0.223,  -1.036)  ( -0.033,  -0.223,  -1.033)  ( 0.00,  0.00,  0.31)
166:     angle   (  0.267,  -3.200,   0.682)  (  0.267,  -3.200,   0.682)  ( 0.01,  0.02,  0.00)
166:     strbnd  (  0.445,  -0.392,   0.323)  (  0.445,  -0.392,   0.323)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.267,  -0.189,   0.049)  ( -0.267,  -0.189,   0.049)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.350,   1.799,   0.791)  ( -2.350,   1.799,   0.791)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 57       ( -0.222,  -0.711,   1.702)  ( -0.221,  -0.708,   1.703)  ( 0.02,  0.16,  0.07)
166:     bond    ( -1.423,  -3.015,   1.849)  ( -1.423,  -3.013,   1.849)  ( 0.03,  0.07,  0.04)
166:     angle   (  1.191,  -0.586,  -0.038)  (  1.192,  -0.586,  -0.038)  ( 0.04,  0.01,  0.00)
166:     strbnd  (  0.927,   0.636,  -0.840)  (  0.927,   0.636,  -0.840)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.670,   0.208,   0.854)  (  0.670,   0.208,   0.854)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.587,   2.046,  -0.123)  ( -1.587,   2.046,  -0.123)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 58       ( -1.065,  -1.279,  -1.213)  ( -1.063,  -1.277,  -1.212)  ( 0.14,  0.19,  0.05)
166:     bond    ( -0.341,   0.461,   0.108)  ( -0.340,   0.463,   0.108)  ( 0.04,  0.10,  0.00)
166:     angle   ( -2.386,  -1.529,  -0.965)  ( -2.386,  -1.529,  -0.964)  ( 0.01,  0.01,  0.04)
166:     strbnd  ( -0.455,  -0.647,  -0.480)  ( -0.455,  -0.647,  -0.480)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.014,   0.020,  -0.041)  (  0.014,   0.020,  -0.041)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.104,   0.416,   0.164)  (  2.104,   0.416,   0.164)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 59       ( -1.070,  -1.140,  -0.343)  ( -1.069,  -1.138,  -0.342)  ( 0.10,  0.20,  0.03)
166:     bond    ( -1.369,  -2.487,   1.248)  ( -1.368,  -2.484,   1.248)  ( 0.05,  0.09,  0.04)
166:     angle   ( -1.624,   0.072,  -1.636)  ( -1.623,   0.072,  -1.636)  ( 0.03,  0.00,  0.03)
166:     strbnd  ( -0.372,   0.804,  -0.765)  ( -0.372,   0.804,  -0.765)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.290,   0.448,   0.574)  ( -0.290,   0.448,   0.574)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.584,   0.022,   0.237)  (  2.584,   0.022,   0.237)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 60       ( -0.358,  -1.910,  -0.423)  ( -0.357,  -1.909,  -0.420)  ( 0.02,  0.03,  0.14)
166:     bond    (  0.061,  -0.358,  -2.470)  (  0.061,  -0.358,  -2.467)  ( 0.00,  0.00,  0.13)
166:     angle   ( -2.334,  -1.222,   0.119)  ( -2.334,  -1.222,   0.119)  ( 0.02,  0.04,  0.00)
166:     strbnd  ( -0.879,   0.068,   0.565)  ( -0.879,   0.068,   0.565)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.016,  -0.218,   0.032)  (  0.016,  -0.218,   0.032)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.778,  -0.179,   1.331)  (  2.778,  -0.179,   1.331)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 61       ( -1.170,  -0.189,   0.037)  ( -1.168,  -0.188,   0.038)  ( 0.25,  0.01,  0.00)
166:     bond    ( -0.428,  -0.103,  -0.175)  ( -0.426,  -0.103,  -0.175)  ( 0.12,  0.00,  0.01)
166:     angle   ( -0.331,  -3.245,   2.709)  ( -0.331,  -3.244,   2.710)  ( 0.00,  0.01,  0.02)
166:     strbnd  ( -0.890,  -0.655,   0.505)  ( -0.890,  -0.655,   0.505)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.146,   0.349,   0.151)  ( -0.146,   0.349,   0.152)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.626,   3.464,  -3.153)  (  0.626,   3.464,  -3.153)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 62       ( -1.757,   0.318,   0.260)  ( -1.756,   0.322,   0.261)  ( 0.03,  0.11,  0.02)
166:     bond    (  0.021,   0.242,  -0.008)  (  0.021,   0.246,  -0.008)  ( 0.00,  0.08,  0.00)
166:     angle   (  2.576,  -0.098,   3.676)  (  2.576,  -0.098,   3.677)  ( 0.02,  0.00,  0.01)
166:     strbnd  (  0.261,   0.641,   0.904)  (  0.261,   0.642,   0.904)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.156,  -0.106,  -0.183)  (  1.156,  -0.106,  -0.183)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.770,  -0.362,  -4.129)  ( -5.770,  -0.362,  -4.129)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 63       ( -1.163,   0.855,  -0.571)  ( -1.161,   0.856,  -0.570)  ( 0.16,  0.08,  0.09)
166:     bond    ( -1.786,   1.024,   1.583)  ( -1.785,   1.024,   1.584)  ( 0.09,  0.05,  0.08)
166:     angle   (  0.428,  -0.094,   0.542)  (  0.428,  -0.094,   0.543)  ( 0.01,  0.00,  0.02)
166:     strbnd  (  0.673,  -0.673,   0.446)  (  0.673,  -0.673,   0.446)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.227,  -0.276,  -0.077)  ( -0.227,  -0.276,  -0.077)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.250,   0.874,  -3.065)  ( -0.250,   0.874,  -3.065)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 64       (  0.790,  -0.989,   0.790)  (  0.793,  -0.989,   0.791)  ( 0.25,  0.06,  0.06)
166:     bond    (  0.666,   0.107,  -0.162)  (  0.670,   0.108,  -0.162)  ( 0.21,  0.00,  0.00)
166:     angle   ( -0.821,  -2.989,  -5.388)  ( -0.821,  -2.989,  -5.387)  ( 0.00,  0.02,  0.01)
166:     strbnd  ( -1.303,  -0.763,  -0.758)  ( -1.303,  -0.763,  -0.758)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.159,  -0.563,   0.283)  (  0.159,  -0.563,   0.283)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.089,   3.218,   6.815)  (  2.089,   3.218,   6.815)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 65       (  1.612,   1.583,  -0.244)  (  1.613,   1.584,  -0.242)  ( 0.09,  0.07,  0.05)
166:     bond    ( -0.305,   0.226,  -0.426)  ( -0.304,   0.227,  -0.424)  ( 0.03,  0.01,  0.08)
166:     angle   (  3.626,  -2.262,  -3.808)  (  3.626,  -2.262,  -3.808)  ( 0.01,  0.02,  0.01)
166:     strbnd  (  0.994,  -1.017,  -0.192)  (  0.994,  -1.017,  -0.192)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.256,   0.264,  -0.043)  (  0.256,   0.264,  -0.043)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.959,   4.372,   4.225)  ( -2.958,   4.372,   4.225)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 66       ( -1.078,   0.552,  -0.760)  ( -1.078,   0.556,  -0.759)  ( 0.06,  0.19,  0.05)
166:     bond    (  0.016,   0.113,   0.003)  (  0.016,   0.116,   0.003)  ( 0.00,  0.04,  0.00)
166:     angle   (  2.563,  -0.264,  -3.412)  (  2.563,  -0.264,  -3.411)  ( 0.02,  0.00,  0.02)
166:     strbnd  (  0.510,   0.950,  -1.109)  (  0.510,   0.950,  -1.109)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.450,   0.067,  -0.151)  ( -0.450,   0.067,  -0.151)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.718,  -0.314,   3.909)  ( -3.717,  -0.314,   3.909)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 67       (  0.335,   0.250,   0.082)  (  0.336,   0.253,   0.082)  ( 0.02,  0.08,  0.00)
166:     bond    (  0.214,  -2.095,   0.090)  (  0.214,  -2.092,   0.090)  ( 0.00,  0.16,  0.00)
166:     angle   (  1.574,   0.246,   1.978)  (  1.575,   0.246,   1.979)  ( 0.04,  0.00,  0.03)
166:     strbnd  ( -0.777,   1.004,   0.844)  ( -0.777,   1.004,   0.844)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.181,  -0.026,  -1.050)  (  0.181,  -0.026,  -1.050)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.857,   1.121,  -1.781)  ( -0.857,   1.121,  -1.781)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.397,   0.278,   0.129)  ( -0.397,   0.278,   0.129)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.894,   2.781,   6.709)  ( -1.894,   2.781,   6.709)  ( 0.01,  0.00,  0.00)
168:     electro ( -3.494,  -1.009,   1.492)  ( -3.494,  -1.009,   1.492)  ( 0.00,  0.00,  0.00)
168: 35       (  0.612,  -0.567,  -0.708)  (  0.616,  -0.568,  -0.704)  ( 0.25,  0.04,  0.32)
168:     bond    (  2.204,  -0.030,  -0.236)  (  2.207,  -0.030,  -0.236)  ( 0.17,  0.00,  0.00)
168:     angle   ( -0.031,  -0.619,  -0.215)  ( -0.031,  -0.619,  -0.215)  ( 0.00,  0.04,  0.00)
168:     strbnd  ( -0.630,  -0.117,   0.028)  ( -0.630,  -0.117,   0.028)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.041,   0.142,  -0.401)  ( -0.041,   0.142,  -0.401)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.003,   0.009,  -0.025)  ( -0.002,   0.007,  -0.021)  ( 0.00,  0.00,  0.01)
168:     vdw     ( -0.755,   0.010,   0.078)  ( -0.755,   0.010,   0.078)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.132,   0.038,   0.062)  ( -0.132,   0.038,   0.062)  ( 0.00,  0.00,  0.00)
168: 36       ( -0.249,  -1.029,   0.334)  ( -0.247,  -1.029,   0.343)  ( 0.05,  0.03,  0.32)
168:     bond    (  1.008,  -1.858,  -0.711)  (  1.009,  -1.855,  -0.710)  ( 0.08,  0.14,  0.03)
168:     angle   ( -0.810,  -0.409,  -0.083)  ( -0.810,  -0.408,  -0.083)  ( 0.04,  0.01,  0.00)
168:     strbnd  ( -0.164,   0.654,   0.244)  ( -0.164,   0.654,   0.244)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.047,  -0.195,   0.576)  (  0.047,  -0.195,   0.577)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.004,   0.018,  -0.054)  ( -0.003,   0.015,  -0.045)  ( 0.00,  0.01,  0.05)
168:     vdw     ( -0.412,   0.629,   0.244)  ( -0.412,   0.629,   0.244)  ( 0.00,  0.00,  0.00)
168:     electro (  0.086,   0.132,   0.117)  (  0.086,   0.132,   0.117)  ( 0.00,  0.00,  0.00)
168: 37       ( -1.459,   0.450,  -0.189)  ( -1.459,   0.459,  -0.205)  ( 0.02,  0.38,  0.31)
168:     bond    ( -1.065,  -1.705,  -0.491)  ( -1.064,  -1.702,  -0.491)  ( 0.09,  0.15,  0.01)
168:     angle   (  2.772,  -1.525,  -0.719)  (  2.772,  -1.525,  -0.719)  ( 0.02,  0.01,  0.00)
168:     strbnd  (  0.823,   1.075,   0.277)  (  0.823,   1.075,   0.277)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.096,  -0.361,   1.046)  (  0.096,  -0.361,   1.046)  ( 0.00,  0.00,  0.03)
168:     oop     (  0.009,  -0.035,   0.104)  (  0.007,  -0.030,   0.087)  ( 0.00,  0.02,  0.17)
168:     vdw     ( -4.611,   3.272,  -0.769)  ( -4.611,   3.272,  -0.769)  ( 0.00,  0.00,  0.00)
168:     electro (  0.518,  -0.270,   0.365)  (  0.518,  -0.270,   0.365)  ( 0.00,  0.00,  0.00)
168: 38       (  0.697,  -0.095,  -1.643)  (  0.702,  -0.112,  -1.585)  ( 0.38,  0.16,  3.53)
168:     bond    ( -0.610,   1.154,   0.431)  ( -0.609,   1.156,   0.432)  ( 0.05,  0.23,  0.02)
168:     angle   (  2.171,   1.091,   0.140)  (  2.172,   1.091,   0.140)  ( 0.03,  0.01,  0.00)
168:     strbnd  (  0.292,  -0.874,  -0.249)  (  0.292,  -0.874,  -0.249)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.070,   0.364,  -1.074)  ( -0.070,   0.364,  -1.074)  ( 0.00,  0.00,  0.03)
168:     oop     ( -0.025,   0.116,  -0.346)  ( -0.021,   0.097,  -0.289)  ( 0.01,  0.22,  1.99)
168:     vdw     ( -0.968,  -2.087,  -0.646)  ( -0.967,  -2.087,  -0.646)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.094,   0.142,   0.101)  ( -0.094,   0.142,   0.101)  ( 0.00,  0.00,  0.00)
168: 39       (  0.579,   0.285,  -1.567)  (  0.582,   0.284,  -1.555)  ( 0.17,  0.03,  0.77)
168:     bond    (  1.161,   1.766,   0.453)  (  1.162,   1.769,   0.453)  ( 0.09,  0.14,  0.01)
168:     angle   (  0.496,  -0.284,  -0.165)  (  0.497,  -0.284,  -0.165)  ( 0.02,  0.00,  0.00)
168:     strbnd  ( -0.428,  -0.962,  -0.256)  ( -0.428,  -0.962,  -0.256)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.154,   0.452,  -1.372)  ( -0.154,   0.452,  -1.372)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.008,   0.023,  -0.071)  ( -0.007,   0.019,  -0.059)  ( 0.00,  0.01,  0.08)
168:     vdw     ( -0.423,  -0.628,  -0.165)  ( -0.423,  -0.628,  -0.165)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.066,  -0.083,   0.009)  ( -0.066,  -0.083,   0.009)  ( 0.00,  0.00,  0.00)
168: 40       ( -3.312,  -3.973,  -3.279)  ( -3.286,  -3.772,  -3.483)  ( 0.77,  5.06,  6.22)
168:     bond    (  1.250,  -2.067,  -1.848)  (  1.251,  -2.065,  -1.846)  ( 0.07,  0.11,  0.10)
168:     angle   ( -6.227,  -1.125,  -2.962)  ( -6.226,  -1.124,  -2.961)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -0.245,  -0.553,  -0.380)  ( -0.245,  -0.553,  -0.380)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.954,  -0.617,   2.015)  (  1.954,  -0.617,   2.015)  ( 0.00,  0.01,  0.00)
168:     oop     ( -0.207,  -1.458,   1.491)  ( -0.183,  -1.260,   1.285)  ( 0.50, 13.62, 13.81)
168:     vdw     ( -0.907,   0.415,  -2.870)  ( -0.907,   0.416,  -2.870)  ( 0.01,  0.00,  0.00)
168:     electro (  1.070,   1.432,   1.274)  (  1.070,   1.432,   1.274)  ( 0.00,  0.00,  0.00)
168: 41       (  0.314,  -0.534,  -1.796)  (  0.320,  -0.537,  -1.831)  ( 0.19,  0.17,  1.93)
168:     bond    (  1.745,  -1.007,   0.287)  (  1.748,  -1.006,   0.287)  ( 0.17,  0.10,  0.00)
168:     angle   (  0.464,   0.801,  -0.015)  (  0.464,   0.801,  -0.015)  ( 0.01,  0.05,  0.00)
168:     strbnd  (  0.646,   0.353,  -0.007)  (  0.646,   0.352,  -0.007)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.413,  -0.701,  -4.980)  (  0.413,  -0.701,  -4.980)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.012,   0.022,   0.147)  ( -0.009,   0.017,   0.112)  ( 0.00,  0.01,  0.51)
168:     vdw     ( -2.888,  -0.070,   2.547)  ( -2.888,  -0.069,   2.547)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.055,   0.069,   0.225)  ( -0.055,   0.069,   0.225)  ( 0.00,  0.00,  0.00)
168: 42       ( -0.601,  -0.039,  -0.247)  ( -0.597,  -0.038,  -0.240)  ( 0.23,  0.00,  0.18)
168:     bond    ( -1.375,   0.917,   0.310)  ( -1.372,   0.918,   0.310)  ( 0.19,  0.11,  0.00)
168:     angle   (  3.321,   4.944,   0.058)  (  3.321,   4.944,   0.059)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -1.480,   0.664,   0.304)  ( -1.480,   0.664,   0.304)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.662,   0.518,  -4.465)  ( -0.662,   0.518,  -4.465)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.006,   0.005,  -0.042)  ( -0.005,   0.004,  -0.035)  ( 0.00,  0.00,  0.03)
168:     vdw     ( -0.590,  -7.239,   3.112)  ( -0.590,  -7.239,   3.112)  ( 0.00,  0.00,  0.00)
168:     electro (  0.193,   0.152,   0.475)  (  0.193,   0.152,   0.475)  ( 0.00,  0.00,  0.00)
168: 43       ( -0.497,   0.648,   1.335)  ( -0.493,   0.649,   1.338)  ( 0.18,  0.06,  0.24)
168:     bond    (  1.870,   0.804,  -0.109)  (  1.873,   0.804,  -0.109)  ( 0.17,  0.05,  0.00)
168:     angle   ( -0.221,   0.524,   0.072)  ( -0.221,   0.524,   0.072)  ( 0.00,  0.03,  0.00)
168:     strbnd  ( -1.440,  -0.145,   0.136)  ( -1.440,  -0.145,   0.136)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.118,  -0.120,   1.139)  (  0.118,  -0.120,   1.139)  ( 0.00,  0.00,  0.03)
168:     oop     ( -0.002,   0.002,  -0.018)  ( -0.002,   0.002,  -0.015)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.750,  -0.350,   0.003)  ( -0.750,  -0.350,   0.003)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.071,  -0.066,   0.111)  ( -0.071,  -0.066,   0.111)  ( 0.00,  0.00,  0.00)
168: 44       ( -1.262,   0.524,   0.724)  ( -1.261,   0.527,   0.732)  ( 0.12,  0.15,  0.57)
168:     bond    (  0.202,   1.622,   0.146)  (  0.202,   1.625,   0.146)  ( 0.00,  0.23,  0.00)
168:     angle   ( -1.147,   0.132,   0.122)  ( -1.147,   0.132,   0.122)  ( 0.06,  0.00,  0.00)
168:     strbnd  ( -0.299,  -0.281,   0.005)  ( -0.299,  -0.281,   0.005)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.051,  -0.056,   0.548)  (  0.051,  -0.056,   0.549)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.004,   0.004,  -0.044)  ( -0.004,   0.004,  -0.036)  ( 0.00,  0.00,  0.03)
168:     vdw     ( -0.104,  -0.746,  -0.073)  ( -0.104,  -0.746,  -0.073)  ( 0.00,  0.00,  0.00)
168:     electro (  0.039,  -0.152,   0.018)  (  0.039,  -0.152,   0.018)  ( 0.00,  0.00,  0.00)
168: 45       ( -1.564,  -0.339,  -0.643)  ( -1.563,  -0.337,  -0.657)  ( 0.08,  0.10,  0.90)
168:     bond    ( -2.026,   1.473,   0.312)  ( -2.024,   1.474,   0.312)  ( 0.12,  0.09,  0.00)
168:     angle   ( -0.884,  -1.211,  -0.011)  ( -0.883,  -1.211,  -0.011)  ( 0.02,  0.04,  0.00)
168:     strbnd  (  0.669,   0.039,  -0.071)  (  0.669,   0.039,  -0.071)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.083,   0.075,  -0.891)  ( -0.083,   0.075,  -0.891)  ( 0.00,  0.00,  0.03)
163:     bond    (379.882, -144.919, 155.173)  (379.943, -144.876, 155.182)  ( 0.02,  0.03,  0.01)
163:     angle   ( 14.261,  17.407,   2.817)  ( 14.264,  17.416,   2.818)  ( 0.02,  0.05,  0.04)
163:     torsion ( -1.305,   0.304,   3.355)  ( -1.305,   0.304,   3.356)  ( 0.01,  0.00,  0.02)
163:     vdw     ( -0.422,  -1.729,  -0.838)  ( -0.422,  -1.729,  -0.838)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 28       (1315.146, -74.669, 493.336)  (1315.206, -74.577, 493.354)  ( 0.00,  0.12,  0.00)
163:     bond    (1185.804,  92.689, 432.055)  (1185.856,  92.772, 432.069)  ( 0.00,  0.09,  0.00)
163:     angle   (130.865, -167.104,  60.684)  (130.874, -167.094,  60.687)  ( 0.01,  0.01,  0.00)
163:     torsion ( -0.460,   0.082,   1.241)  ( -0.460,   0.082,   1.242)  ( 0.01,  0.00,  0.11)
163:     vdw     ( -1.064,  -0.337,  -0.644)  ( -1.064,  -0.337,  -0.644)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 29       (-407.489, 229.581, -174.705)  (-407.472, 229.589, -174.700)  ( 0.00,  0.00,  0.00)
163:     bond    (-428.438, 181.023, -179.396)  (-428.422, 181.028, -179.392)  ( 0.00,  0.00,  0.00)
163:     angle   ( 18.109,  47.213,   4.397)  ( 18.110,  47.216,   4.397)  ( 0.00,  0.01,  0.00)
163:     torsion (  0.211,  -0.029,  -0.534)  (  0.211,  -0.029,  -0.534)  ( 0.00,  0.00,  0.03)
163:     vdw     (  2.629,   1.375,   0.829)  (  2.629,   1.375,   0.829)  ( 0.00,  0.01,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 30       (-1375.520,  93.450, -519.145)  (-1375.476,  93.506, -519.093)  ( 0.00,  0.06,  0.01)
163:     bond    (-1368.931,   2.598, -509.342)  (-1368.899,   2.640, -509.300)  ( 0.00,  1.63,  0.01)
163:     angle   ( -6.421,  89.619,  -9.663)  ( -6.410,  89.632,  -9.653)  ( 0.18,  0.01,  0.11)
163:     torsion ( -0.024,   0.004,   0.064)  ( -0.024,   0.004,   0.065)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.144,   1.230,  -0.204)  ( -0.144,   1.230,  -0.204)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 31       (-252.383,  68.712,  72.986)  (-252.334,  68.760,  73.032)  ( 0.02,  0.07,  0.06)
163:     bond    (-183.680, 108.332,  28.850)  (-183.643, 108.368,  28.887)  ( 0.02,  0.03,  0.13)
163:     angle   (-67.485, -40.784,  37.274)  (-67.473, -40.773,  37.283)  ( 0.02,  0.03,  0.02)
163:     torsion ( -1.634,   0.633,   4.614)  ( -1.633,   0.633,   4.614)  ( 0.03,  0.02,  0.01)
163:     vdw     (  0.416,   0.531,   2.248)  (  0.416,   0.531,   2.248)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 32       ( 26.424, 201.539, -65.524)  ( 26.469, 201.589, -65.476)  ( 0.17,  0.02,  0.07)
163:     bond    ( 10.558, 131.097, -37.808)  ( 10.594, 131.133, -37.771)  ( 0.34,  0.03,  0.10)
163:     angle   ( 15.093,  68.172, -27.150)  ( 15.102,  68.185, -27.140)  ( 0.06,  0.02,  0.04)
163:     torsion (  0.521,   3.013,  -1.060)  (  0.521,   3.013,  -1.060)  ( 0.03,  0.02,  0.02)
163:     vdw     (  0.252,  -0.742,   0.494)  (  0.252,  -0.742,   0.494)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 33       (  5.447, -166.720, -114.957)  (  5.495, -166.670, -114.908)  ( 0.89,  0.03,  0.04)
163:     bond    (  0.388, -85.303, -71.338)  (  0.425, -85.265, -71.301)  ( 1.43,  0.04,  0.05)
163:     angle   (  3.800, -80.567, -42.048)  (  3.811, -80.555, -42.036)  ( 0.29,  0.02,  0.03)
163:     torsion (  0.744,  -0.036,   0.075)  (  0.745,  -0.036,   0.076)  ( 0.04,  0.00,  0.00)
163:     vdw     (  0.514,  -0.814,  -1.646)  (  0.514,  -0.814,  -1.646)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 34       ( 39.872, -79.602, -11.314)  ( 39.879, -79.577, -11.310)  ( 0.02,  0.03,  0.04)
163:     bond    ( 31.505, -86.048,   4.238)  ( 31.508, -86.023,   4.238)  ( 0.01,  0.03,  0.01)
163:     angle   ( 12.846,   3.739, -19.615)  ( 12.848,   3.740, -19.612)  ( 0.02,  0.01,  0.02)
163:     torsion (  2.043,   0.649,  -2.011)  (  2.043,   0.649,  -2.011)  ( 0.00,  0.00,  0.01)
163:     vdw     ( -6.521,   2.057,   6.075)  ( -6.521,   2.057,   6.075)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 35       ( 36.284,  22.966, -82.660)  ( 36.289,  22.973, -82.636)  ( 0.01,  0.03,  0.03)
163:     bond    ( 21.884,  34.000, -84.579)  ( 21.886,  34.004, -84.556)  ( 0.01,  0.01,  0.03)
163:     angle   ( 18.455, -11.667,   0.087)  ( 18.458, -11.664,   0.087)  ( 0.01,  0.03,  0.00)
163:     torsion ( -0.871,   0.454,  -0.043)  ( -0.871,   0.454,  -0.043)  ( 0.01,  0.01,  0.00)
163:     vdw     ( -3.185,   0.179,   1.876)  ( -3.184,   0.179,   1.876)  ( 0.01,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 36       ( 88.882,  10.987, -11.983)  ( 88.909,  10.992, -11.979)  ( 0.03,  0.04,  0.03)
163:     bond    ( 91.385,  -5.329, -13.368)  ( 91.412,  -5.328, -13.367)  ( 0.03,  0.01,  0.01)
163:     angle   ( -0.040,  18.084,  -7.489)  ( -0.040,  18.088,  -7.487)  ( 0.00,  0.02,  0.04)
163:     torsion (  0.028,  -1.127,   0.641)  (  0.028,  -1.127,   0.641)  ( 0.00,  0.01,  0.00)
163:     vdw     ( -2.490,  -0.640,   8.233)  ( -2.490,  -0.640,   8.234)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 37       ( -4.098,  87.111, -10.557)  ( -4.092,  87.137, -10.553)  ( 0.14,  0.03,  0.04)
163:     bond    (-24.076,  86.846, -10.570)  (-24.074,  86.872, -10.569)  ( 0.01,  0.03,  0.01)
163:     angle   ( 21.480,   4.731, -10.050)  ( 21.483,   4.731, -10.048)  ( 0.02,  0.00,  0.03)
163:     torsion (  2.789,   0.583,  -1.558)  (  2.789,   0.583,  -1.558)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -4.290,  -5.049,  11.622)  ( -4.290,  -5.049,  11.622)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 38       (-23.572, -16.685,  85.626)  (-23.567, -16.678,  85.650)  ( 0.02,  0.04,  0.03)
163:     bond    (-20.719, -32.829,  83.983)  (-20.718, -32.825,  84.006)  ( 0.01,  0.01,  0.03)
163:     angle   (-11.944,  14.964,   2.903)  (-11.941,  14.967,   2.904)  ( 0.02,  0.02,  0.02)
163:     torsion (  0.733,  -0.743,  -0.110)  (  0.733,  -0.743,  -0.110)  ( 0.01,  0.01,  0.00)
163:     vdw     (  8.358,   1.923,  -1.150)  (  8.359,   1.923,  -1.150)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 39       (-33.595,  79.887,  14.514)  (-33.588,  79.911,  14.518)  ( 0.02,  0.03,  0.03)
163:     bond    (-31.431,  85.012,  -4.595)  (-31.427,  85.037,  -4.594)  ( 0.01,  0.03,  0.01)
163:     angle   (-13.511,  -3.912,  19.998)  (-13.508,  -3.912,  20.001)  ( 0.02,  0.01,  0.02)
163:     torsion ( -1.754,  -0.523,   2.320)  ( -1.754,  -0.523,   2.321)  ( 0.00,  0.00,  0.01)
163:     vdw     ( 13.101,  -0.691,  -3.210)  ( 13.101,  -0.691,  -3.210)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 40       (-89.565, -10.449,  25.871)  (-89.538, -10.445,  25.875)  ( 0.03,  0.04,  0.02)
163:     bond    (-93.440,   4.720,  14.652)  (-93.413,   4.721,  14.653)  ( 0.03,  0.01,  0.01)
163:     angle   (  1.162, -17.513,  13.046)  (  1.162, -17.510,  13.049)  ( 0.01,  0.02,  0.02)
163:     torsion ( -0.082,   0.250,  -0.606)  ( -0.082,   0.250,  -0.606)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.795,   2.094,  -1.222)  (  2.795,   2.094,  -1.222)  ( 0.00,  0.00,  0.02)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 41       (  8.560, -87.495,  19.317)  (  8.566, -87.469,  19.321)  ( 0.07,  0.03,  0.02)
163:     bond    ( 25.302, -87.579,  10.941)  ( 25.304, -87.554,  10.942)  ( 0.01,  0.03,  0.01)
163:     angle   (-20.325,  -4.214,  13.279)  (-20.322,  -4.213,  13.282)  ( 0.02,  0.01,  0.02)
163:     torsion ( -1.939,  -0.352,   1.667)  ( -1.939,  -0.352,   1.667)  ( 0.01,  0.00,  0.00)
163:     vdw     (  5.522,   4.650,  -6.571)  (  5.523,   4.650,  -6.570)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 42       (-13.989,  74.223,   4.958)  (-13.983,  74.249,   4.962)  ( 0.04,  0.03,  0.08)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b0q_mc5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b0t_mcz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b0w_dgx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b1m_krc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b29_lsm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b2t_m33.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b2w_9nh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b3o_ji3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b3p_ji7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b3x_a33.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b5b_ndn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b5r_b5r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b65_3b6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b66_b66.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b67_b67.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b68_b68.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b6h_mxd.sdf
168:     oop     (  0.008,  -0.007,   0.085)  (  0.007,  -0.006,   0.071)  ( 0.00,  0.00,  0.12)
168:     vdw     (  0.563,  -0.681,  -0.091)  (  0.563,  -0.681,  -0.091)  ( 0.00,  0.00,  0.00)
168:     electro (  0.189,  -0.027,   0.024)  (  0.189,  -0.027,   0.024)  ( 0.00,  0.00,  0.00)
168: 46       (  0.161,  -1.444,  -1.223)  (  0.162,  -1.442,  -1.237)  ( 0.03,  0.16,  1.12)
168:     bond    ( -1.548,  -0.548,   0.144)  ( -1.545,  -0.547,   0.145)  ( 0.21,  0.02,  0.00)
168:     angle   ( -2.690,   7.839,   0.924)  ( -2.690,   7.840,   0.924)  ( 0.00,  0.01,  0.00)
168:     strbnd  (  2.263,   1.431,  -0.188)  (  2.263,   1.431,  -0.188)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.041,   0.010,  -0.399)  ( -0.041,   0.010,  -0.398)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.011,  -0.007,   0.092)  (  0.009,  -0.006,   0.078)  ( 0.00,  0.00,  0.13)
168:     vdw     (  2.373, -10.506,  -1.864)  (  2.373, -10.506,  -1.864)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.207,   0.336,   0.067)  ( -0.207,   0.336,   0.067)  ( 0.00,  0.00,  0.00)
168: 47       ( -0.364,   0.001,   0.224)  ( -0.363,   0.002,   0.227)  ( 0.04,  0.00,  0.06)
168:     bond    (  2.065,   0.651,   4.277)  (  2.066,   0.651,   4.280)  ( 0.03,  0.01,  0.06)
168:     angle   ( -1.189,   0.877,   0.440)  ( -1.189,   0.878,   0.440)  ( 0.04,  0.06,  0.01)
168:     strbnd  ( -1.004,  -2.559,  -2.464)  ( -1.004,  -2.559,  -2.464)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.081,   1.012,  -0.193)  (  0.081,   1.012,  -0.193)  ( 0.00,  0.00,  0.00)
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168:     vdw     ( -0.317,   0.020,  -1.836)  ( -0.317,   0.020,  -1.835)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 48       (  0.158,   0.208,   0.381)  (  0.161,   0.209,   0.382)  ( 0.05,  0.03,  0.02)
168:     bond    ( -1.345,  -0.662,  -0.174)  ( -1.342,  -0.661,  -0.174)  ( 0.21,  0.04,  0.00)
168:     angle   (  2.482,  -5.347,   1.171)  (  2.482,  -5.347,   1.171)  ( 0.00,  0.01,  0.04)
168:     strbnd  ( -0.569,  -0.838,  -0.623)  ( -0.569,  -0.838,  -0.623)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.479,  -1.375,   1.531)  (  0.479,  -1.375,   1.531)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.889,   8.429,  -1.524)  ( -0.889,   8.429,  -1.524)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 49       (  0.370,  -0.684,   0.437)  (  0.371,  -0.684,   0.441)  ( 0.03,  0.03,  0.14)
168:     bond    ( -0.186,   0.025,  -0.685)  ( -0.186,   0.025,  -0.682)  ( 0.00,  0.00,  0.22)
168:     angle   (  1.336,  -2.129,  -0.442)  (  1.336,  -2.128,  -0.442)  ( 0.04,  0.02,  0.00)
168:     strbnd  (  0.611,  -0.262,  -0.310)  (  0.611,  -0.262,  -0.310)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.104,  -0.201,   0.021)  ( -0.104,  -0.201,   0.021)  ( 0.00,  0.00,  0.00)
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168:     vdw     ( -1.287,   1.882,   1.854)  ( -1.287,   1.882,   1.854)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 50       (  0.588,   0.088,   1.012)  (  0.589,   0.092,   1.013)  ( 0.04,  0.03,  0.07)
168:     bond    (  0.403,  -2.471,   0.627)  (  0.403,  -2.468,   0.627)  ( 0.00,  0.12,  0.01)
168:     angle   (  5.516,   0.699,  -0.794)  (  5.517,   0.699,  -0.793)  ( 0.01,  0.00,  0.04)
168:     strbnd  (  0.314,   1.208,  -0.817)  (  0.314,   1.208,  -0.817)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.531,  -0.207,  -0.474)  ( -0.531,  -0.207,  -0.474)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
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168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 51       ( -0.316,  -0.193,  -0.505)  ( -0.315,  -0.192,  -0.503)  ( 0.06,  0.02,  0.10)
168:     bond    (  0.716,  -0.298,  -0.826)  (  0.717,  -0.297,  -0.824)  ( 0.10,  0.01,  0.15)
168:     angle   (  1.189,  -5.329,   2.958)  (  1.189,  -5.328,   2.959)  ( 0.03,  0.01,  0.01)
168:     strbnd  ( -0.047,  -0.589,  -0.422)  ( -0.047,  -0.589,  -0.422)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.936,  -0.735,   1.080)  (  0.936,  -0.735,   1.080)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.110,   6.758,  -3.296)  ( -3.110,   6.758,  -3.296)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 52       ( -0.101,  -0.092,  -0.176)  ( -0.100,  -0.090,  -0.175)  ( 0.01,  0.02,  0.01)
168:     bond    (  1.134,  -2.431,   0.852)  (  1.134,  -2.428,   0.852)  ( 0.05,  0.10,  0.03)
168:     angle   ( -3.696,  -1.139,   1.674)  ( -3.696,  -1.138,   1.675)  ( 0.01,  0.01,  0.03)
168:     strbnd  ( -1.209,   1.211,  -0.450)  ( -1.209,   1.211,  -0.450)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.018,   0.060,   0.194)  ( -0.018,   0.060,   0.194)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.689,   2.206,  -2.447)  (  3.689,   2.206,  -2.447)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 53       (  0.304,  -0.091,  -0.474)  (  0.305,  -0.090,  -0.471)  ( 0.04,  0.01,  0.12)
168:     bond    ( -0.341,  -0.134,  -0.569)  ( -0.341,  -0.134,  -0.567)  ( 0.03,  0.00,  0.14)
168:     angle   (  0.912,  -4.148,   0.434)  (  0.913,  -4.147,   0.434)  ( 0.03,  0.01,  0.01)
168:     strbnd  ( -0.362,  -0.327,   0.331)  ( -0.362,  -0.327,   0.331)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.427,  -0.471,  -0.145)  (  0.427,  -0.471,  -0.145)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.333,   4.990,  -0.524)  ( -0.333,   4.990,  -0.524)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 54       (  0.047,   0.327,   0.213)  (  0.048,   0.328,   0.216)  ( 0.00,  0.04,  0.06)
168:     bond    (  0.044,   0.448,  -1.022)  (  0.044,   0.449,  -1.019)  ( 0.00,  0.02,  0.28)
168:     angle   ( -5.073,   4.709,   1.855)  ( -5.072,   4.710,   1.855)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -0.688,  -1.108,  -0.508)  ( -0.688,  -1.108,  -0.508)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.301,   0.513,   0.239)  (  0.301,   0.513,   0.239)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  5.463,  -4.236,  -0.352)  (  5.463,  -4.236,  -0.352)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 55       ( -0.139,  -0.301,   0.325)  ( -0.139,  -0.299,   0.327)  ( 0.01,  0.06,  0.06)
168:     bond    (  0.004,  -0.058,  -0.057)  (  0.004,  -0.056,  -0.056)  ( 0.00,  0.01,  0.01)
168:     angle   ( -0.993,   1.847,  -1.929)  ( -0.992,   1.847,  -1.929)  ( 0.07,  0.01,  0.01)
168:     strbnd  ( -0.720,  -1.271,   0.377)  ( -0.720,  -1.271,   0.377)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.101,   0.125,  -0.120)  (  0.101,   0.125,  -0.120)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.469,  -0.945,   2.055)  (  1.469,  -0.944,   2.055)  ( 0.01,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 56       ( -0.037,  -0.300,  -0.241)  ( -0.036,  -0.299,  -0.238)  ( 0.00,  0.04,  0.06)
168:     bond    (  0.176,   1.777,  -3.219)  (  0.177,   1.777,  -3.216)  ( 0.00,  0.04,  0.08)
168:     angle   ( -1.373,  -1.962,  -1.160)  ( -1.373,  -1.962,  -1.159)  ( 0.05,  0.02,  0.01)
168:     strbnd  ( -0.304,   0.067,   1.171)  ( -0.304,   0.067,   1.171)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.378,   0.531,   0.218)  ( -1.378,   0.532,   0.218)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.841,  -0.714,   2.749)  (  2.842,  -0.714,   2.749)  ( 0.01,  0.00,  0.00)
166: 68       (  0.121,   0.190,   0.044)  (  0.122,   0.191,   0.047)  ( 0.01,  0.02,  0.01)
166:     bond    ( -0.946,   0.945,   2.916)  ( -0.946,   0.945,   2.919)  ( 0.03,  0.03,  0.09)
166:     angle   (  2.086,  -0.263,   0.761)  (  2.086,  -0.263,   0.761)  ( 0.03,  0.01,  0.01)
166:     strbnd  (  0.013,  -1.433,  -0.930)  (  0.013,  -1.433,  -0.930)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.192,  -1.114,   0.423)  (  0.192,  -1.114,   0.423)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.224,   2.055,  -3.126)  ( -1.224,   2.055,  -3.126)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 69       (  0.670,   0.306,   0.584)  (  0.671,   0.308,   0.587)  ( 0.08,  0.04,  0.14)
166:     bond    ( -0.089,   0.102,   0.156)  ( -0.088,   0.103,   0.158)  ( 0.01,  0.01,  0.03)
166:     angle   (  0.439,  -2.980,   2.180)  (  0.440,  -2.979,   2.180)  ( 0.02,  0.02,  0.01)
166:     strbnd  (  0.329,   0.312,   1.723)  (  0.329,   0.312,   1.723)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.972,  -0.601,   0.932)  (  0.972,  -0.601,   0.933)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.982,   3.473,  -4.407)  ( -0.982,   3.473,  -4.407)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 70       (  0.106,   0.582,   0.566)  (  0.107,   0.583,   0.568)  ( 0.02,  0.04,  0.13)
166:     bond    (  1.818,  -0.560,   2.482)  (  1.819,  -0.560,   2.484)  ( 0.06,  0.01,  0.08)
166:     angle   ( -0.401,  -1.568,  -0.060)  ( -0.400,  -1.567,  -0.060)  ( 0.01,  0.04,  0.00)
166:     strbnd  ( -0.251,  -0.339,  -2.165)  ( -0.251,  -0.339,  -2.165)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.175,   0.745,   1.028)  ( -1.175,   0.745,   1.028)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.115,   2.304,  -0.719)  (  0.115,   2.304,  -0.719)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 71       (  0.738,   0.197,   0.250)  (  0.741,   0.198,   0.251)  ( 0.20,  0.02,  0.02)
166:     bond    (  1.848,   0.749,  -0.682)  (  1.850,   0.749,  -0.682)  ( 0.14,  0.03,  0.02)
166:     angle   ( -0.676,  -2.968,  -5.094)  ( -0.676,  -2.967,  -5.094)  ( 0.01,  0.02,  0.01)
166:     strbnd  ( -1.187,  -1.166,  -0.503)  ( -1.187,  -1.166,  -0.503)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.213,  -0.324,   0.223)  (  0.213,  -0.324,   0.223)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.541,   3.906,   6.307)  (  0.541,   3.906,   6.307)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 72       (  0.699,   1.329,  -0.078)  (  0.701,   1.330,  -0.076)  ( 0.13,  0.05,  0.02)
166:     bond    ( -0.821,   0.235,  -0.916)  ( -0.820,   0.235,  -0.914)  ( 0.12,  0.00,  0.17)
166:     angle   (  3.757,  -0.301,  -3.447)  (  3.757,  -0.301,  -3.447)  ( 0.01,  0.01,  0.01)
166:     strbnd  (  1.187,  -0.802,  -0.115)  (  1.187,  -0.802,  -0.115)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.090,  -0.149,   0.042)  ( -0.090,  -0.149,   0.042)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.334,   2.346,   4.357)  ( -3.333,   2.346,   4.357)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 73       ( -0.259,   0.501,  -0.385)  ( -0.258,   0.505,  -0.385)  ( 0.01,  0.17,  0.02)
166:     bond    ( -0.024,   0.218,  -0.017)  ( -0.024,   0.221,  -0.017)  ( 0.00,  0.07,  0.00)
166:     angle   (  2.747,   0.023,  -3.607)  (  2.748,   0.023,  -3.606)  ( 0.02,  0.00,  0.02)
166:     strbnd  (  0.214,   0.580,  -1.173)  (  0.214,   0.580,  -1.173)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.122,  -0.015,  -0.032)  ( -0.122,  -0.015,  -0.032)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.075,  -0.304,   4.442)  ( -3.075,  -0.304,   4.443)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 74       (  0.198,   2.184,  -1.550)  (  0.200,   2.185,  -1.547)  ( 0.04,  0.04,  0.23)
166:     bond    ( -0.028,  -0.019,  -0.043)  ( -0.027,  -0.018,  -0.040)  ( 0.00,  0.00,  0.01)
166:     angle   (  2.217,   0.907,  -1.911)  (  2.217,   0.907,  -1.911)  ( 0.01,  0.00,  0.01)
166:     strbnd  (  0.644,   0.343,   0.113)  (  0.644,   0.343,   0.113)  ( 0.01,  0.00,  0.00)
166:     torsion ( -0.820,   1.602,  -0.191)  ( -0.820,   1.602,  -0.191)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.896,  -0.668,   0.650)  ( -1.896,  -0.668,   0.650)  ( 0.00,  0.00,  0.00)
166:     electro (  0.081,   0.018,  -0.168)  (  0.081,   0.018,  -0.168)  ( 0.00,  0.00,  0.00)
166: ok 22 # gradients 
166: ok 23 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b7d_cni.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b7j_jug.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b7u_kel.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b8q_900.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b8r_887.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b8x_g4m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b8z_294.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b92_440.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b99_u51.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b9j_290.sdf
163:     bond    (-21.453,  74.914,  -3.292)  (-21.450,  74.940,  -3.291)  ( 0.01,  0.03,  0.01)
163:     angle   ( 14.946,   5.094,  18.557)  ( 14.949,   5.094,  18.561)  ( 0.02,  0.00,  0.02)
163:     torsion ( -0.016,  -0.004,   0.014)  ( -0.016,  -0.004,   0.014)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -7.466,  -5.781, -10.321)  ( -7.466,  -5.781, -10.321)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 43       ( 78.263,  -2.252,   8.047)  ( 78.290,  -2.248,   8.051)  ( 0.03,  0.18,  0.06)
163:     bond    ( 77.211,  -4.184,  -9.515)  ( 77.238,  -4.183,  -9.514)  ( 0.04,  0.01,  0.01)
163:     angle   (  3.619,   3.438,  27.860)  (  3.619,   3.442,  27.863)  ( 0.00,  0.11,  0.01)
163:     torsion (  0.007,  -0.165,   0.126)  (  0.007,  -0.165,   0.126)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.573,  -1.341, -10.424)  ( -2.573,  -1.341, -10.424)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 44       (  0.559, -21.658,  75.747)  (  0.565, -21.651,  75.771)  ( 0.29,  0.03,  0.03)
163:     bond    (-15.723, -27.268,  71.326)  (-15.722, -27.264,  71.349)  ( 0.01,  0.01,  0.03)
163:     angle   ( 25.339,   8.729,   8.920)  ( 25.342,   8.732,   8.921)  ( 0.01,  0.04,  0.01)
163:     torsion (  0.198,  -0.151,  -0.014)  (  0.198,  -0.151,  -0.014)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -9.254,  -2.968,  -4.484)  ( -9.254,  -2.968,  -4.484)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 45       ( 64.163,  80.826,  16.856)  ( 64.181,  80.843,  16.858)  ( 0.03,  0.02,  0.01)
163:     bond    ( 74.615,  74.402,  16.715)  ( 74.629,  74.416,  16.717)  ( 0.02,  0.02,  0.01)
163:     angle   ( -6.637,   6.301,   1.557)  ( -6.635,   6.304,   1.557)  ( 0.04,  0.04,  0.01)
163:     torsion ( -0.008,   0.091,  -0.372)  ( -0.008,   0.091,  -0.371)  ( 0.00,  0.00,  0.03)
163:     vdw     ( -2.955,   0.013,  -0.139)  ( -2.954,   0.013,  -0.139)  ( 0.01,  0.00,  0.00)
163:     electro ( -0.852,   0.018,  -0.906)  ( -0.852,   0.018,  -0.906)  ( 0.00,  0.00,  0.00)
163: 46       (-16.253, 103.541,  27.783)  (-16.245, 103.567,  27.786)  ( 0.05,  0.03,  0.01)
163:     bond    (-17.811,  88.988,  23.233)  (-17.810,  89.014,  23.235)  ( 0.01,  0.03,  0.01)
163:     angle   ( 54.867,  10.478,   1.919)  ( 54.872,  10.478,   1.919)  ( 0.01,  0.00,  0.00)
163:     torsion (  0.012,  -0.370,   1.425)  (  0.012,  -0.370,   1.425)  ( 0.00,  0.00,  0.05)
163:     vdw     (-53.523,   4.113,   1.555)  (-53.521,   4.113,   1.555)  ( 0.00,  0.00,  0.01)
163:     electro (  0.202,   0.332,  -0.349)  (  0.202,   0.332,  -0.349)  ( 0.00,  0.00,  0.00)
163: 47       ( 46.686, -89.427, -26.362)  ( 46.694, -89.402, -26.359)  ( 0.02,  0.03,  0.01)
163:     bond    ( 27.135, -94.224, -26.191)  ( 27.138, -94.199, -26.189)  ( 0.01,  0.03,  0.01)
163:     angle   ( 23.097,   6.332,   1.160)  ( 23.102,   6.333,   1.160)  ( 0.02,  0.01,  0.01)
163:     torsion ( -0.042,   0.706,  -2.585)  ( -0.042,   0.706,  -2.584)  ( 0.00,  0.00,  0.03)
163:     vdw     ( -6.905,  -1.903,   1.416)  ( -6.905,  -1.903,   1.416)  ( 0.01,  0.00,  0.00)
163:     electro (  3.401,  -0.339,  -0.162)  (  3.401,  -0.339,  -0.162)  ( 0.00,  0.00,  0.00)
163: 48       (-80.683,  -1.490,  46.931)  (-80.656,  -1.486,  46.937)  ( 0.03,  0.23,  0.01)
163:     bond    (-88.637,  -2.317,  20.880)  (-88.611,  -2.317,  20.882)  ( 0.03,  0.02,  0.01)
163:     angle   (  5.474,  -2.071,  22.996)  (  5.474,  -2.068,  23.000)  ( 0.00,  0.14,  0.01)
163:     torsion (  1.564,   0.257,   6.664)  (  1.564,   0.257,   6.664)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.917,   2.642,  -3.609)  (  0.917,   2.642,  -3.609)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 49       ( 27.346,  12.069,  61.421)  ( 27.357,  12.077,  61.439)  ( 0.04,  0.07,  0.03)
163:     bond    ( 27.464,  27.278,  46.599)  ( 27.470,  27.284,  46.615)  ( 0.02,  0.02,  0.04)
163:     angle   (-45.485,  -9.884,  32.585)  (-45.483,  -9.881,  32.586)  ( 0.01,  0.02,  0.00)
163:     torsion (  1.360,   1.464,  -1.659)  (  1.361,   1.464,  -1.659)  ( 0.02,  0.00,  0.01)
163:     vdw     ( 44.008,  -6.790, -16.103)  ( 44.009,  -6.790, -16.103)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 50       (-19.918,  78.133, -20.035)  (-19.910,  78.158, -20.031)  ( 0.04,  0.03,  0.02)
163:     bond    (-29.029,  74.253,   5.631)  (-29.025,  74.277,   5.631)  ( 0.01,  0.03,  0.01)
163:     angle   ( 10.553,   6.257, -28.126)  ( 10.556,   6.257, -28.123)  ( 0.03,  0.01,  0.01)
163:     torsion ( -0.656,  -0.240,  -0.212)  ( -0.656,  -0.240,  -0.212)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -0.786,  -2.136,   2.672)  ( -0.786,  -2.136,   2.672)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 51       ( 59.372,  24.629, -42.928)  ( 59.398,  24.633, -42.922)  ( 0.04,  0.02,  0.01)
163:     bond    ( 64.561,   5.165, -19.507)  ( 64.586,   5.165, -19.505)  ( 0.04,  0.01,  0.01)
163:     angle   (-12.918,  24.858, -36.193)  (-12.918,  24.862, -36.190)  ( 0.00,  0.01,  0.01)
163:     torsion (  0.060,   0.650,   0.370)  (  0.060,   0.650,   0.370)  ( 0.00,  0.01,  0.00)
163:     vdw     (  7.669,  -6.044,  12.403)  (  7.669,  -6.044,  12.403)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 52       (-30.314, -16.291, -76.443)  (-30.304, -16.282, -76.426)  ( 0.03,  0.06,  0.02)
163:     bond    (-39.923, -37.279, -58.542)  (-39.916, -37.273, -58.527)  ( 0.02,  0.02,  0.03)
163:     angle   ( 10.108,  21.559, -20.629)  ( 10.111,  21.562, -20.628)  ( 0.03,  0.01,  0.01)
163:     torsion (  0.298,  -0.200,  -0.076)  (  0.298,  -0.200,  -0.076)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -0.797,  -0.372,   2.804)  ( -0.797,  -0.372,   2.804)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 53       ( 94.650,  84.772, 119.505)  ( 94.656,  84.803, 119.509)  ( 0.01,  0.04,  0.00)
163:     bond    (  2.433, -20.470,   2.878)  (  2.434, -20.442,   2.879)  ( 0.01,  0.14,  0.02)
163:     angle   ( 34.810,   5.798,  11.741)  ( 34.814,   5.798,  11.742)  ( 0.01,  0.00,  0.01)
163:     torsion (  1.481,  -0.354,  -3.766)  (  1.481,  -0.354,  -3.765)  ( 0.01,  0.00,  0.01)
163:     vdw     ( 58.022, 100.394, 109.595)  ( 58.023, 100.397, 109.597)  ( 0.00,  0.00,  0.00)
163:     electro ( -2.096,  -0.597,  -0.943)  ( -2.096,  -0.597,  -0.943)  ( 0.00,  0.00,  0.00)
163: 54       (-23.064, -68.758,  -2.726)  (-23.057, -68.733,  -2.722)  ( 0.03,  0.04,  0.16)
163:     bond    (-23.826, -68.424,  -3.381)  (-23.823, -68.399,  -3.381)  ( 0.01,  0.04,  0.01)
163:     angle   ( -0.162,   0.040,   0.306)  ( -0.159,   0.040,   0.310)  ( 0.05,  0.00,  0.12)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (  0.924,  -0.373,   0.349)  (  0.924,  -0.373,   0.349)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 55       (-40.151,  26.871,  56.321)  (-40.140,  26.881,  56.334)  ( 0.03,  0.04,  0.02)
163:     bond    (-43.020,  38.071,  45.501)  (-43.010,  38.079,  45.512)  ( 0.02,  0.02,  0.02)
163:     angle   (  0.667, -12.551,  11.129)  (  0.669, -12.548,  11.131)  ( 0.14,  0.02,  0.02)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (  2.201,   1.351,  -0.308)  (  2.201,   1.351,  -0.308)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 56       (  7.916,  16.915, -72.081)  (  7.920,  16.924, -72.056)  ( 0.04,  0.05,  0.03)
163:     bond    ( -1.004,  29.140, -67.460)  ( -1.003,  29.145, -67.436)  ( 0.03,  0.02,  0.03)
163:     angle   (  7.515, -13.544,  -5.964)  (  7.518, -13.541,  -5.964)  ( 0.04,  0.02,  0.01)
163:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163:     vdw     (  1.405,   1.320,   1.344)  (  1.405,   1.320,   1.344)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b9m_azz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3b9x_nos.sdf
166:  1       ( -0.188,  -0.096,  -0.051)  ( -0.199,  -0.052,  -0.005)  ( 0.20,  0.42,  0.24)
166:     bond    (  6.718,   6.276,  -0.511)  (  6.723,   6.283,  -0.510)  ( 0.07,  0.11,  0.05)
166:     angle   (  7.350,   2.161,   1.524)  (  7.352,   2.163,   1.524)  ( 0.02,  0.08,  0.00)
166:     strbnd  ( -5.562,  -3.003,  -0.620)  ( -5.562,  -3.004,  -0.620)  ( 0.00,  0.02,  0.00)
166:     torsion (  0.209,  -0.213,  -0.135)  (  0.209,  -0.213,  -0.134)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.102,  -0.210,  -0.295)  (  0.085,  -0.175,  -0.250)  ( 0.17,  0.74,  1.31)
166:     vdw     ( -9.274,  -5.085,  -0.061)  ( -9.274,  -5.085,  -0.061)  ( 0.00,  0.00,  0.00)
166:     electro (  0.268,  -0.021,   0.047)  (  0.268,  -0.021,   0.047)  ( 0.00,  0.00,  0.00)
166:  2       ( -0.463,   0.409,   1.503)  ( -0.406,   0.355,   1.294)  ( 2.62,  2.22, 13.86)
166:     bond    (  5.859,  -4.939,   3.180)  (  5.864,  -4.931,   3.182)  ( 0.09,  0.16,  0.04)
166:     angle   ( -5.582,   0.865,  -2.937)  ( -5.580,   0.867,  -2.937)  ( 0.03,  0.13,  0.01)
166:     strbnd  (  3.439,  -2.665,   1.582)  (  3.438,  -2.666,   1.582)  ( 0.02,  0.03,  0.00)
166:     torsion ( -0.645,   0.747,   3.059)  ( -0.645,   0.747,   3.060)  ( 0.01,  0.01,  0.04)
166:     oop     ( -0.337,   0.427,   1.409)  ( -0.287,   0.364,   1.198)  ( 1.69,  2.70, 14.97)
166:     vdw     ( -3.802,   4.778,  -4.508)  ( -3.801,   4.778,  -4.508)  ( 0.01,  0.00,  0.00)
166:     electro (  0.606,   1.196,  -0.282)  (  0.606,   1.196,  -0.282)  ( 0.00,  0.00,  0.00)
166:  3       (  0.200,  -0.018,  -0.182)  (  0.192,  -0.006,  -0.027)  ( 0.16,  0.02,  2.83)
166:     bond    (  8.537,   8.504,   0.695)  (  8.543,   8.515,   0.695)  ( 0.06,  0.14,  0.00)
166:     angle   (-28.587,  -3.313,  -5.216)  (-28.584,  -3.311,  -5.216)  ( 0.01,  0.05,  0.00)
166:     strbnd  ( 13.895,   1.569,   1.674)  ( 13.894,   1.567,   1.674)  ( 0.01,  0.12,  0.00)
166:     torsion ( -0.070,   0.291,  -0.883)  ( -0.070,   0.291,  -0.883)  ( 0.00,  0.00,  0.04)
166:     oop     (  0.085,  -0.003,  -0.855)  (  0.070,  -0.003,  -0.700)  ( 0.13,  0.00, 13.23)
166:     vdw     ( -3.152,  -1.167,  -0.567)  ( -3.152,  -1.167,  -0.567)  ( 0.00,  0.00,  0.00)
166:     electro (  9.492,  -5.898,   4.971)  (  9.492,  -5.898,   4.971)  ( 0.00,  0.00,  0.00)
166:  4       (  0.068,   0.192,   0.159)  (  0.107,   0.130,  -0.008)  ( 0.27,  1.19,  2.64)
166:     bond    (  5.784,   6.960,  -1.839)  (  5.788,   6.969,  -1.837)  ( 0.07,  0.13,  0.11)
166:     angle   (  0.982, -10.064,   4.762)  (  0.983, -10.062,   4.762)  ( 0.17,  0.02,  0.00)
166:     strbnd  (  2.113,   6.313,  -2.390)  (  2.113,   6.312,  -2.391)  ( 0.01,  0.02,  0.01)
166:     torsion (  0.211,  -0.053,  -0.431)  (  0.211,  -0.052,  -0.430)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.201,   0.426,   1.012)  ( -0.167,   0.355,   0.843)  ( 0.68,  3.05, 16.69)
166:     vdw     ( -0.575,  -5.329,   2.147)  ( -0.575,  -5.329,   2.147)  ( 0.00,  0.00,  0.00)
166:     electro ( -8.246,   1.938,  -3.102)  ( -8.246,   1.938,  -3.102)  ( 0.00,  0.00,  0.00)
166:  5       ( -0.011,  -0.146,  -0.052)  ( -0.021,  -0.112,   0.008)  ( 0.01,  0.49,  0.32)
166:     bond    (  0.169,   6.053,  -2.652)  (  0.169,   6.060,  -2.651)  ( 0.00,  0.13,  0.06)
166:     angle   ( -0.570,  -0.029,  -0.102)  ( -0.569,  -0.029,  -0.102)  ( 0.04,  0.00,  0.00)
166:     strbnd  ( -0.449,  -0.737,   0.244)  ( -0.449,  -0.737,   0.244)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.351,  -0.798,  -1.802)  (  0.351,  -0.798,  -1.802)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.063,  -0.144,  -0.325)  (  0.052,  -0.118,  -0.265)  ( 0.07,  0.38,  1.92)
166:     vdw     ( -5.042,  -4.784,   2.331)  ( -5.041,  -4.784,   2.331)  ( 0.00,  0.00,  0.00)
166:     electro (  5.466,   0.293,   2.253)  (  5.466,   0.293,   2.253)  ( 0.00,  0.00,  0.00)
166:  6       (  0.048,  -0.085,  -0.062)  (  0.044,  -0.054,   0.004)  ( 0.02,  0.27,  0.41)
166:     bond    ( -0.057,   4.697,  -1.723)  ( -0.052,   4.701,  -1.723)  ( 0.03,  0.10,  0.04)
166:     angle   (  6.722,   9.815,  -3.104)  (  6.724,   9.816,  -3.104)  ( 0.03,  0.02,  0.00)
166:     strbnd  ( -8.096,  -2.087,  -0.459)  ( -8.096,  -2.087,  -0.459)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.110,   0.259,   0.519)  ( -0.110,   0.259,   0.520)  ( 0.00,  0.00,  0.06)
166:     oop     (  0.071,  -0.161,  -0.404)  (  0.060,  -0.136,  -0.340)  ( 0.08,  0.40,  2.58)
166:     vdw     (  1.049, -12.118,   4.931)  (  1.049, -12.118,   4.931)  ( 0.03,  0.00,  0.00)
166:     electro (  0.469,  -0.490,   0.178)  (  0.469,  -0.490,   0.178)  ( 0.00,  0.00,  0.00)
166:  7       ( -0.211,   0.490,   1.592)  ( -0.170,   0.415,   1.339)  ( 0.88,  3.66, 15.89)
166:     bond    (  3.349,  -0.633,   0.565)  (  3.354,  -0.629,   0.566)  ( 0.16,  0.29,  0.05)
166:     angle   ( -2.010,  -5.848,   0.374)  ( -2.008,  -5.846,   0.374)  ( 0.11,  0.04,  0.01)
166:     strbnd  ( -0.379,  -1.736,   0.181)  ( -0.380,  -1.737,   0.181)  ( 0.03,  0.03,  0.00)
166:     torsion ( -0.325,   0.273,   1.507)  ( -0.325,   0.273,   1.508)  ( 0.00,  0.00,  0.09)
166:     oop     ( -0.205,   0.452,   1.462)  ( -0.171,   0.371,   1.207)  ( 0.71,  3.68, 17.45)
166:     vdw     ( -0.926,   8.721,  -2.733)  ( -0.925,   8.721,  -2.733)  ( 0.03,  0.00,  0.00)
166:     electro (  0.284,  -0.738,   0.237)  (  0.284,  -0.738,   0.237)  ( 0.00,  0.00,  0.00)
166:  8       ( -0.038,  -0.007,  -0.024)  ( -0.033,   0.006,  -0.005)  ( 0.02,  0.01,  0.05)
166:     bond    ( -2.335,  12.424,  -4.470)  ( -2.330,  12.429,  -4.470)  ( 0.23,  0.04,  0.02)
166:     angle   ( -1.627,  -0.904,   0.021)  ( -1.626,  -0.902,   0.021)  ( 0.10,  0.16,  0.00)
166:     strbnd  ( -5.052,  -1.205,  -0.263)  ( -5.052,  -1.206,  -0.263)  ( 0.00,  0.01,  0.00)
166:     torsion ( -0.060,   0.134,   0.425)  ( -0.060,   0.134,   0.426)  ( 0.00,  0.00,  0.05)
166:     oop     (  0.013,  -0.035,  -0.105)  (  0.011,  -0.030,  -0.088)  ( 0.00,  0.02,  0.18)
166:     vdw     (  6.553, -10.647,   4.170)  (  6.553, -10.647,   4.170)  ( 0.00,  0.00,  0.00)
166:     electro (  2.471,   0.227,   0.198)  (  2.471,   0.227,   0.198)  ( 0.00,  0.00,  0.00)
166:  9       (  0.946,  -1.368,  -4.548)  (  0.837,  -1.147,  -3.903)  (10.32, 16.19, 14.19)
166:     bond    (  7.584,  -6.522,   1.280)  (  7.590,  -6.517,   1.281)  ( 0.08,  0.07,  0.06)
166:     angle   ( -6.868,  -3.074,   6.963)  ( -6.866,  -3.072,   6.964)  ( 0.03,  0.07,  0.01)
166:     strbnd  ( -1.384,   3.697,  -1.135)  ( -1.385,   3.696,  -1.136)  ( 0.05,  0.02,  0.01)
166:     torsion (  0.914,  -1.383,  -5.636)  (  0.914,  -1.383,  -5.635)  ( 0.00,  0.01,  0.01)
166:     oop     (  0.745,  -1.298,  -3.922)  (  0.629,  -1.083,  -3.278)  ( 8.65, 16.58, 16.41)
166:     vdw     ( -1.168,   4.392,  -3.048)  ( -1.168,   4.393,  -3.048)  ( 0.00,  0.00,  0.00)
166:     electro (  1.123,   2.820,   0.950)  (  1.123,   2.820,   0.950)  ( 0.00,  0.00,  0.00)
166: 10       ( -0.051,  -0.123,  -0.257)  ( -0.046,  -0.109,  -0.239)  ( 0.02,  0.17,  0.44)
166:     bond    (  2.250, -21.552,   7.812)  (  2.255, -21.547,   7.813)  ( 0.22,  0.02,  0.01)
166:     angle   (  0.157,  10.838,  -3.791)  (  0.158,  10.840,  -3.791)  ( 0.02,  0.02,  0.01)
166:     strbnd  ( -4.774,   3.240,  -1.394)  ( -4.774,   3.239,  -1.394)  ( 0.00,  0.01,  0.00)
166:     torsion ( -0.383,   0.976,   3.097)  ( -0.383,   0.976,   3.098)  ( 0.00,  0.02,  0.04)
166:     oop     (  0.001,  -0.020,  -0.019)  ( -0.000,  -0.013,  -0.004)  ( 0.00,  0.01,  0.03)
166:     vdw     (  1.632,   4.936,  -5.898)  (  1.632,   4.937,  -5.898)  ( 0.01,  0.01,  0.00)
166:     electro (  1.066,   1.459,  -0.063)  (  1.066,   1.459,  -0.063)  ( 0.00,  0.00,  0.00)
166: 11       ( -1.565,   1.497,  -6.484)  ( -1.426,   1.426,  -5.566)  ( 8.90,  4.71, 14.17)
166:     bond    (-16.382,  -5.258,  -0.908)  (-16.377,  -5.253,  -0.907)  ( 0.03,  0.09,  0.07)
166:     angle   (-11.115,   1.090,   2.569)  (-11.112,   1.092,   2.569)  ( 0.02,  0.19,  0.01)
166:     strbnd  ( 22.133,   1.950,   2.757)  ( 22.132,   1.949,   2.757)  ( 0.00,  0.03,  0.00)
166:     torsion (  0.030,  -0.147,  -1.459)  (  0.030,  -0.146,  -1.458)  ( 0.00,  0.00,  0.07)
166:     oop     ( -1.363,   1.188,  -6.786)  ( -1.230,   1.111,  -5.870)  ( 9.71,  6.48, 13.50)
166:     vdw     (  4.671,   2.284,  -2.768)  (  4.672,   2.284,  -2.768)  ( 0.00,  0.00,  0.00)
166:     electro (  0.459,   0.390,   0.111)  (  0.459,   0.390,   0.111)  ( 0.00,  0.00,  0.00)
166: 12       ( -0.002,   0.033,   0.022)  (  0.002,   0.028,  -0.000)  ( 0.00,  0.02,  0.05)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ba8_3b8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ba9_3b9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3baa_3ba.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bab_3bd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bbt_fmm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bc3_opt.sdf
163: 57       ( 26.171, -61.282, -57.916)  ( 26.175, -61.262, -57.905)  ( 0.02,  0.03,  0.02)
163:     bond    (  4.936, -71.331, -49.618)  (  4.937, -71.313, -49.608)  ( 0.01,  0.03,  0.02)
163:     angle   ( 21.633,  10.213, -12.532)  ( 21.637,  10.214, -12.530)  ( 0.02,  0.01,  0.01)
163:     torsion (  1.202,  -0.052,   0.194)  (  1.202,  -0.052,   0.194)  ( 0.01,  0.00,  0.00)
163:     vdw     ( -1.601,  -0.112,   4.039)  ( -1.601,  -0.112,   4.039)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 58       ( 76.270,  22.941, -23.323)  ( 76.292,  22.950, -23.319)  ( 0.03,  0.04,  0.02)
163:     bond    ( 71.291,  39.669,  -8.011)  ( 71.312,  39.676,  -8.010)  ( 0.03,  0.02,  0.01)
163:     angle   (  7.268, -17.136, -20.161)  (  7.269, -17.134, -20.158)  ( 0.01,  0.01,  0.02)
163:     torsion (  0.113,  -0.215,  -0.061)  (  0.113,  -0.215,  -0.061)  ( 0.00,  0.00,  0.00)
163:     vdw     ( -2.401,   0.624,   4.911)  ( -2.401,   0.624,   4.911)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 59       (-63.192, -63.428,  16.181)  (-63.170, -63.418,  16.184)  ( 0.03,  0.02,  0.02)
163:     bond    (-78.176, -47.083,   7.956)  (-78.155, -47.075,   7.957)  ( 0.03,  0.02,  0.01)
163:     angle   ( 13.238, -20.310,   9.894)  ( 13.239, -20.308,   9.897)  ( 0.01,  0.01,  0.03)
163:     torsion ( -0.006,  -0.084,  -0.554)  ( -0.006,  -0.083,  -0.554)  ( 0.00,  0.00,  0.01)
163:     vdw     (  1.752,   4.048,  -1.116)  (  1.752,   4.048,  -1.116)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 60       ( 51.337, -71.320,  31.040)  ( 51.354, -71.307,  31.045)  ( 0.03,  0.02,  0.02)
163:     bond    ( 69.756, -57.600,  27.076)  ( 69.771, -57.589,  27.078)  ( 0.02,  0.02,  0.01)
163:     angle   (-15.014, -15.981,   4.697)  (-15.013, -15.979,   4.699)  ( 0.01,  0.01,  0.05)
163:     torsion ( -2.419,  -2.372,   1.187)  ( -2.419,  -2.372,   1.187)  ( 0.01,  0.01,  0.01)
163:     vdw     ( -0.986,   4.632,  -1.920)  ( -0.986,   4.633,  -1.920)  ( 0.00,  0.00,  0.01)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 61       ( -9.231,   4.667,  82.357)  ( -9.227,   4.672,  82.383)  ( 0.05,  0.12,  0.03)
163:     bond    ( -7.198, -23.032,  75.880)  ( -7.197, -23.029,  75.906)  ( 0.01,  0.01,  0.03)
163:     angle   ( -4.131,  30.637,   8.904)  ( -4.128,  30.641,   8.905)  ( 0.09,  0.01,  0.00)
163:     torsion (  1.717,  -0.060,   0.145)  (  1.717,  -0.060,   0.145)  ( 0.01,  0.00,  0.00)
163:     vdw     (  0.381,  -2.879,  -2.572)  (  0.381,  -2.879,  -2.572)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 62       ( 55.671,  56.605,  11.335)  ( 55.692,  56.616,  11.339)  ( 0.04,  0.02,  0.04)
163:     bond    ( 65.302,  42.165,  -5.964)  ( 65.321,  42.173,  -5.964)  ( 0.03,  0.02,  0.01)
163:     angle   ( -9.206,  17.304,  21.554)  ( -9.205,  17.306,  21.558)  ( 0.01,  0.01,  0.02)
163:     torsion ( -0.690,   0.900,  -1.189)  ( -0.690,   0.900,  -1.189)  ( 0.00,  0.00,  0.01)
163:     vdw     (  0.266,  -3.764,  -3.067)  (  0.266,  -3.764,  -3.066)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: 63       (-52.640,  58.487,  10.669)  (-52.622,  58.499,  10.674)  ( 0.03,  0.02,  0.05)
163:     bond    (-57.918,  44.816, -15.152)  (-57.901,  44.826, -15.150)  ( 0.03,  0.02,  0.01)
163:     angle   (  6.047,  18.030,  30.234)  (  6.048,  18.032,  30.238)  ( 0.03,  0.01,  0.01)
163:     torsion ( -1.141,  -1.037,   1.293)  ( -1.141,  -1.037,   1.293)  ( 0.00,  0.00,  0.01)
163:     vdw     (  0.372,  -3.322,  -5.707)  (  0.372,  -3.322,  -5.706)  ( 0.00,  0.00,  0.00)
163:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
163: ok 36 # gradients 
163: 1..36
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bc5_zaa.sdf
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 57       (  0.041,   0.148,  -0.296)  (  0.041,   0.150,  -0.294)  ( 0.00,  0.03,  0.06)
168:     bond    ( -0.135,   2.007,   2.146)  ( -0.135,   2.009,   2.147)  ( 0.00,  0.08,  0.08)
168:     angle   (  0.451,  -0.692,   0.675)  (  0.452,  -0.692,   0.675)  ( 0.03,  0.02,  0.02)
168:     strbnd  ( -0.177,  -0.030,  -0.939)  ( -0.177,  -0.030,  -0.939)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.075,  -0.300,   0.213)  ( -1.075,  -0.300,   0.213)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.976,  -0.838,  -2.392)  (  0.976,  -0.838,  -2.392)  ( 0.02,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 58       ( -0.254,   0.017,  -0.064)  ( -0.254,   0.019,  -0.062)  ( 0.02,  0.00,  0.02)
168:     bond    ( -0.040,  -1.500,   1.928)  ( -0.040,  -1.499,   1.930)  ( 0.00,  0.08,  0.11)
168:     angle   ( -1.136,   1.312,   0.995)  ( -1.135,   1.312,   0.995)  ( 0.05,  0.03,  0.02)
168:     strbnd  (  0.280,  -0.457,  -0.574)  (  0.280,  -0.457,  -0.574)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.158,   0.214,   0.170)  (  0.158,   0.214,   0.170)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.484,   0.449,  -2.583)  (  0.484,   0.449,  -2.583)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 59       ( -0.039,   0.371,   0.524)  ( -0.039,   0.373,   0.526)  ( 0.00,  0.07,  0.11)
168:     bond    (  0.250,   2.246,  -2.453)  (  0.250,   2.247,  -2.451)  ( 0.00,  0.07,  0.07)
168:     angle   ( -0.227,   0.092,   0.062)  ( -0.226,   0.092,   0.062)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( -0.193,  -0.135,   1.231)  ( -0.193,  -0.135,   1.231)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.564,   2.085,   1.969)  (  0.564,   2.085,   1.969)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.433,  -3.917,  -0.285)  ( -0.433,  -3.917,  -0.285)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 60       ( -0.063,  -0.072,   0.504)  ( -0.062,  -0.071,   0.506)  ( 0.01,  0.01,  0.13)
168:     bond    (  0.260,   1.745,   3.031)  (  0.260,   1.746,   3.033)  ( 0.00,  0.05,  0.08)
168:     angle   (  3.751,  -1.603,   0.601)  (  3.752,  -1.603,   0.601)  ( 0.02,  0.02,  0.01)
168:     strbnd  ( -0.199,  -0.015,  -1.540)  ( -0.199,  -0.015,  -1.540)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.382,   1.853,  -0.948)  ( -1.382,   1.853,  -0.948)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.493,  -2.052,  -0.640)  ( -2.493,  -2.052,  -0.640)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 61       ( -0.281,   0.189,  -0.034)  ( -0.280,   0.192,  -0.033)  ( 0.02,  0.06,  0.00)
168:     bond    (  0.133,  -2.004,   0.580)  (  0.133,  -2.001,   0.581)  ( 0.00,  0.15,  0.02)
168:     angle   (  0.076,  -0.444,  -1.547)  (  0.077,  -0.444,  -1.546)  ( 0.00,  0.00,  0.04)
168:     strbnd  ( -0.121,  -0.013,   0.295)  ( -0.121,  -0.013,   0.295)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.940,   0.033,  -0.103)  (  0.940,   0.033,  -0.103)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.309,   2.616,   0.740)  ( -1.309,   2.616,   0.740)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 62       ( -0.037,   0.359,   0.037)  ( -0.037,   0.362,   0.038)  ( 0.00,  0.10,  0.00)
168:     bond    ( -0.580,   1.889,  -0.905)  ( -0.580,   1.891,  -0.905)  ( 0.01,  0.13,  0.05)
168:     angle   ( -0.273,   0.763,   1.769)  ( -0.273,   0.763,   1.769)  ( 0.01,  0.01,  0.02)
168:     strbnd  ( -0.325,   0.488,   0.279)  ( -0.325,   0.488,   0.279)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.294,   0.792,   0.827)  (  1.294,   0.792,   0.827)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.153,  -3.573,  -1.933)  ( -0.153,  -3.573,  -1.933)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 63       ( -0.297,   0.195,   0.097)  ( -0.296,   0.196,   0.100)  ( 0.03,  0.01,  0.03)
168:     bond    (  0.610,   0.315,   1.633)  (  0.610,   0.315,   1.636)  ( 0.02,  0.00,  0.18)
168:     angle   ( -1.418,   1.386,   0.261)  ( -1.418,   1.387,   0.261)  ( 0.03,  0.03,  0.00)
168:     strbnd  ( -0.282,   0.382,   0.365)  ( -0.282,   0.382,   0.365)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.426,   0.990,  -0.350)  (  0.426,   0.990,  -0.350)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.367,  -2.878,  -1.812)  (  0.367,  -2.878,  -1.812)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 64       (  1.903,   0.126,  -0.903)  (  1.903,   0.131,  -0.902)  ( 0.00,  0.07,  0.08)
168:     bond    (  0.052,   0.524,  -0.141)  (  0.052,   0.529,  -0.141)  ( 0.00,  0.27,  0.01)
168:     angle   (  0.150,  -0.836,  -3.088)  (  0.150,  -0.836,  -3.088)  ( 0.00,  0.00,  0.02)
168:     strbnd  ( -0.049,  -0.575,   0.050)  ( -0.049,  -0.575,   0.050)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.430,  -0.034,   0.030)  (  0.430,  -0.034,   0.030)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.052,   1.173,   1.899)  (  0.052,   1.173,   1.900)  ( 0.00,  0.00,  0.00)
168:     electro (  1.267,  -0.125,   0.347)  (  1.267,  -0.125,   0.347)  ( 0.00,  0.00,  0.00)
168: 65       (-13.463,  -0.711,   6.828)  (-13.458,  -0.711,   6.829)  ( 0.04,  0.02,  0.01)
168:     bond    (-17.085,  -2.760,   0.383)  (-17.080,  -2.760,   0.384)  ( 0.03,  0.01,  0.00)
168:     angle   (  0.082,  -0.169,   2.424)  (  0.082,  -0.169,   2.425)  ( 0.00,  0.00,  0.02)
168:     strbnd  (  0.390,   0.135,  -0.958)  (  0.390,   0.135,  -0.958)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.084,   0.524,   0.039)  ( -0.084,   0.524,   0.039)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.216,   1.133,   7.265)  ( -1.216,   1.133,   7.265)  ( 0.00,  0.00,  0.00)
168:     electro (  4.450,   0.427,  -2.326)  (  4.450,   0.427,  -2.326)  ( 0.00,  0.00,  0.00)
168: ok 14 # gradients 
168: ok 15 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bdj_141.sdf
168: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bdk_dno.sdf
163/208 Test #163: test_ffghemical_1 ................   Passed    1.77 sec
test 171
        Start 171: test_formalcharge_1
171: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "formalcharge" "1"
171: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
171: Environment variables: 
171:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
171:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
171: Test timeout computed to be: 1500
166:     bond    ( -0.083,  -1.551,   0.585)  ( -0.083,  -1.548,   0.586)  ( 0.00,  0.21,  0.03)
166:     angle   ( -2.409,   0.039,  -0.237)  ( -2.408,   0.039,  -0.237)  ( 0.03,  0.00,  0.00)
166:     strbnd  (  0.317,   2.635,  -1.018)  (  0.317,   2.635,  -1.018)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.335,   0.971,   2.518)  ( -0.335,   0.971,   2.518)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.020,   0.060,   0.155)  ( -0.017,   0.051,   0.132)  ( 0.01,  0.05,  0.36)
166:     vdw     (  1.947,  -0.339,  -2.146)  (  1.947,  -0.339,  -2.146)  ( 0.01,  0.00,  0.00)
166:     electro (  0.582,  -1.781,   0.164)  (  0.582,  -1.781,   0.164)  ( 0.00,  0.00,  0.00)
166: 13       ( -0.161,   0.206,   0.379)  ( -0.135,   0.166,   0.239)  ( 0.42,  0.83,  5.33)
166:     bond    (-10.578,  16.134,  -6.570)  (-10.572,  16.139,  -6.569)  ( 0.06,  0.03,  0.01)
166:     angle   (  3.774,  -9.877,   3.575)  (  3.776,  -9.875,   3.575)  ( 0.06,  0.02,  0.00)
166:     strbnd  (  6.607,   8.014,  -1.786)  (  6.607,   8.014,  -1.786)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.109,  -0.516,  -1.612)  (  0.109,  -0.516,  -1.611)  ( 0.00,  0.01,  0.06)
166:     oop     ( -0.104,   0.267,   0.810)  ( -0.086,   0.220,   0.668)  ( 0.18,  1.25, 11.54)
166:     vdw     (  2.473, -10.532,   5.124)  (  2.473, -10.532,   5.124)  ( 0.01,  0.00,  0.00)
166:     electro ( -2.443,  -3.284,   0.838)  ( -2.443,  -3.284,   0.838)  ( 0.00,  0.00,  0.00)
166: 14       ( -0.003,   0.005,   0.001)  ( -0.002,   0.008,  -0.001)  ( 0.00,  0.00,  0.00)
166:     bond    (  0.027,   1.931,  -0.640)  (  0.027,   1.934,  -0.640)  ( 0.00,  0.18,  0.02)
166:     angle   ( -2.454,  -0.061,  -0.290)  ( -2.454,  -0.061,  -0.290)  ( 0.03,  0.00,  0.00)
166:     strbnd  ( -0.157,  -0.599,   0.177)  ( -0.157,  -0.599,   0.177)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.008,  -0.021,  -0.062)  (  0.008,  -0.021,  -0.062)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.002,   0.005,   0.014)  ( -0.001,   0.004,   0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.894,  -1.054,   0.744)  (  3.894,  -1.054,   0.744)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.319,  -0.195,   0.058)  ( -1.319,  -0.195,   0.058)  ( 0.00,  0.00,  0.00)
166: 15       (  0.084,  -0.049,   0.001)  (  0.085,  -0.040,   0.023)  ( 0.00,  0.04,  0.00)
166:     bond    (  0.221,  -0.141,   0.077)  (  0.224,  -0.139,   0.077)  ( 0.07,  0.02,  0.00)
166:     angle   (  4.781,   6.809,  -1.605)  (  4.781,   6.810,  -1.605)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -0.896,   1.110,  -0.480)  ( -0.896,   1.110,  -0.480)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.065,  -0.159,  -0.479)  (  0.065,  -0.159,  -0.479)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.019,  -0.046,  -0.139)  (  0.016,  -0.039,  -0.117)  ( 0.01,  0.03,  0.30)
166:     vdw     ( -4.637,  -7.161,   2.713)  ( -4.637,  -7.161,   2.713)  ( 0.00,  0.00,  0.00)
166:     electro (  0.531,  -0.461,  -0.087)  (  0.531,  -0.461,  -0.087)  ( 0.00,  0.00,  0.00)
166: 16       (  0.592,  -6.830,  17.259)  (  0.475,  -6.321,  15.463)  ( 6.92,  7.44, 10.40)
166:     bond    ( 11.932,   3.001,  15.852)  ( 11.937,   3.005,  15.854)  ( 0.04,  0.13,  0.01)
166:     angle   ( 23.478,  14.321,  -5.626)  ( 23.480,  14.322,  -5.625)  ( 0.01,  0.01,  0.02)
166:     strbnd  (-17.338, -10.628,  -0.306)  (-17.339, -10.629,  -0.306)  ( 0.01,  0.01,  0.01)
166:     torsion (  2.180,  -3.338,  -2.414)  (  2.180,  -3.338,  -2.413)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.730,  -6.148,  15.666)  (  0.607,  -5.645,  13.868)  ( 8.98,  8.18, 11.48)
166:     vdw     ( -3.584,  -3.576,   0.274)  ( -3.584,  -3.576,   0.274)  ( 0.00,  0.00,  0.00)
166:     electro (-16.806,  -0.461,  -6.188)  (-16.806,  -0.461,  -6.188)  ( 0.00,  0.00,  0.00)
166: 17       ( -0.326,   0.524,   1.534)  ( -0.284,   0.447,   1.326)  ( 1.35,  4.06, 13.53)
166:     bond    ( -1.611,  -0.017,   3.957)  ( -1.609,  -0.012,   3.962)  ( 0.12,  0.01,  0.12)
166:     angle   (  6.180,   1.067,  -5.100)  (  6.182,   1.069,  -5.098)  ( 0.03,  0.17,  0.04)
166:     strbnd  (  0.100,  -7.392,   3.328)  (  0.099,  -7.392,   3.327)  ( 0.00,  0.01,  0.03)
166:     torsion (  0.098,  -0.377,   0.788)  (  0.098,  -0.377,   0.788)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.243,   0.495,   1.264)  ( -0.205,   0.412,   1.051)  ( 0.93,  4.15, 16.89)
166:     vdw     ( -4.964,   6.311,  -2.568)  ( -4.963,   6.311,  -2.568)  ( 0.00,  0.00,  0.00)
166:     electro (  0.114,   0.437,  -0.136)  (  0.114,   0.437,  -0.136)  ( 0.00,  0.00,  0.00)
166: 18       (  0.022,  -0.013,   0.018)  (  0.025,  -0.012,   0.017)  ( 0.01,  0.00,  0.00)
166:     bond    (  2.427,  -1.578,   1.180)  (  2.429,  -1.577,   1.181)  ( 0.09,  0.06,  0.04)
166:     angle   (  0.938,   1.300,  -0.193)  (  0.938,   1.300,  -0.193)  ( 0.02,  0.03,  0.00)
166:     strbnd  (  0.253,   0.443,  -0.086)  (  0.253,   0.443,  -0.086)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.194,   0.249,   0.730)  ( -0.194,   0.249,   0.731)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.004,   0.005,   0.016)  ( -0.004,   0.005,   0.014)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.726,   0.545,  -1.869)  ( -0.726,   0.545,  -1.869)  ( 0.01,  0.01,  0.00)
166:     electro ( -2.672,  -0.977,   0.240)  ( -2.672,  -0.977,   0.240)  ( 0.00,  0.00,  0.00)
166: 19       ( -0.014,   3.511,  -4.590)  (  0.033,   3.229,  -4.205)  ( 0.06,  8.04,  8.38)
166:     bond    ( 14.557,  -7.075, -16.796)  ( 14.561,  -7.071, -16.792)  ( 0.03,  0.06,  0.03)
166:     angle   ( -6.287,   1.336,   9.984)  ( -6.284,   1.338,   9.986)  ( 0.04,  0.15,  0.02)
166:     strbnd  ( -1.105,  -2.672,   1.853)  ( -1.106,  -2.672,   1.852)  ( 0.07,  0.04,  0.04)
166:     torsion ( -2.284,   2.619,  -3.338)  ( -2.284,   2.619,  -3.338)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.200,   3.236,  -4.287)  ( -0.160,   2.949,  -3.907)  ( 0.82,  8.88,  8.84)
166:     vdw     ( -0.883,   6.505,   5.249)  ( -0.883,   6.505,   5.250)  ( 0.01,  0.00,  0.00)
166:     electro ( -3.811,  -0.439,   2.744)  ( -3.811,  -0.439,   2.744)  ( 0.00,  0.00,  0.00)
166: 20       (  1.087,   1.726,  -6.160)  (  1.026,   1.634,  -5.527)  ( 5.62,  5.35, 10.28)
166:     bond    ( -3.175,  21.247,  -4.289)  ( -3.171,  21.251,  -4.285)  ( 0.12,  0.02,  0.11)
166:     angle   ( -1.211, -12.477,   2.194)  ( -1.209, -12.475,   2.196)  ( 0.17,  0.02,  0.08)
166:     strbnd  ( -3.415,  -1.229,   2.715)  ( -3.416,  -1.230,   2.715)  ( 0.04,  0.07,  0.01)
166:     torsion ( -0.113,   0.216,   3.410)  ( -0.113,   0.216,   3.410)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.933,   1.474,  -5.351)  (  0.867,   1.376,  -4.724)  ( 6.12,  6.66, 11.72)
166:     vdw     (  9.608,  -0.387,  -5.167)  (  9.608,  -0.387,  -5.167)  ( 0.00,  0.01,  0.00)
166:     electro ( -1.539,  -7.118,   0.328)  ( -1.539,  -7.118,   0.328)  ( 0.00,  0.00,  0.00)
166: 21       (  0.043,   0.049,  -0.100)  (  0.045,   0.051,  -0.100)  ( 0.01,  0.01,  0.01)
166:     bond    (  1.613,  -1.085,   0.142)  (  1.615,  -1.084,   0.142)  ( 0.14,  0.10,  0.00)
166:     angle   ( -3.259,  -5.157,  -2.297)  ( -3.259,  -5.157,  -2.296)  ( 0.01,  0.01,  0.02)
166:     strbnd  ( -0.614,   0.250,  -1.435)  ( -0.614,   0.250,  -1.435)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.131,   0.198,   0.029)  (  0.131,   0.198,   0.029)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.173,   5.843,   3.461)  (  2.173,   5.843,   3.461)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 22       ( -0.097,   0.001,  -0.021)  ( -0.097,   0.002,  -0.017)  ( 0.01,  0.00,  0.01)
166:     bond    ( -0.285,   1.036,  -3.315)  ( -0.285,   1.036,  -3.312)  ( 0.00,  0.03,  0.09)
166:     angle   (  0.181,  -1.068,  -0.350)  (  0.182,  -1.067,  -0.350)  ( 0.01,  0.05,  0.00)
166:     strbnd  (  0.973,  -1.118,   0.103)  (  0.973,  -1.118,   0.103)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.253,  -0.745,  -0.255)  (  0.253,  -0.745,  -0.255)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.220,   1.896,   3.796)  ( -1.220,   1.896,   3.796)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 23       (  0.003,  -0.104,  -0.010)  (  0.007,  -0.098,  -0.004)  ( 0.00,  0.06,  0.01)
166:     bond    ( -3.127, -17.812,   3.460)  ( -3.123, -17.808,   3.465)  ( 0.13,  0.02,  0.13)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3be2_raj.sdf
164/208 Test  #62: test_lssr_2 ......................   Passed    5.11 sec
test 172
        Start 172: test_format_1
172: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "format" "1"
172: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
172: Environment variables: 
172:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
172:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
172: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3be9_p04.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bea_ixh.sdf
171: # Testing molecular formal charges...
15: /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
168:  1       ( -1.742,  28.428,  11.907)  ( -1.764,  28.344,  12.060)  ( 1.23,  0.30,  1.28)
168:     bond    (-17.707,   8.335,   2.191)  (-17.700,   8.340,   2.193)  ( 0.04,  0.06,  0.09)
168:     angle   ( 17.323,  25.618,  18.944)  ( 17.325,  25.620,  18.945)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -1.493,  -7.945,  -5.133)  ( -1.494,  -7.946,  -5.134)  ( 0.06,  0.01,  0.00)
168:     torsion (  0.601,   2.014,  -3.362)  (  0.601,   2.014,  -3.362)  ( 0.00,  0.01,  0.02)
168:     oop     (  0.117,   0.376,  -0.635)  (  0.088,   0.286,  -0.485)  ( 0.35,  3.38,  9.52)
168:     vdw     ( -0.601,  -0.190,  -0.199)  ( -0.601,  -0.190,  -0.199)  ( 0.00,  0.00,  0.00)
168:     electro (  0.018,   0.220,   0.101)  (  0.018,   0.220,   0.101)  ( 0.00,  0.00,  0.00)
168:  2       (-43.349,  -2.957,  -5.099)  (-43.316,  -2.878,  -5.218)  ( 0.08,  2.69,  2.34)
168:     bond    (-26.717,  -2.707,  -7.585)  (-26.711,  -2.702,  -7.583)  ( 0.02,  0.19,  0.02)
168:     angle   (-14.462,  -4.144,  -5.035)  (-14.460,  -4.143,  -5.035)  ( 0.01,  0.04,  0.01)
168:     strbnd  (  0.308,   7.811,   4.693)  (  0.308,   7.811,   4.693)  ( 0.01,  0.01,  0.01)
168:     torsion ( -0.735,  -2.026,   3.413)  ( -0.735,  -2.026,   3.414)  ( 0.00,  0.02,  0.03)
168:     oop     ( -0.154,  -0.448,   0.744)  ( -0.128,  -0.375,   0.621)  ( 0.40,  3.28,  9.11)
168:     vdw     ( -1.663,  -1.307,  -1.215)  ( -1.663,  -1.307,  -1.215)  ( 0.00,  0.00,  0.00)
168:     electro (  0.073,  -0.137,  -0.114)  (  0.073,  -0.137,  -0.114)  ( 0.00,  0.00,  0.00)
168:  3       ( 26.528,  25.489,  14.637)  ( 26.499,  25.389,  14.815)  ( 0.11,  0.39,  1.22)
168:     bond    ( 32.244,   7.181,  11.384)  ( 32.249,   7.186,  11.386)  ( 0.02,  0.06,  0.02)
168:     angle   ( -9.397,   6.895,   4.311)  ( -9.395,   6.897,   4.311)  ( 0.02,  0.02,  0.02)
168:     strbnd  (  5.047,   6.760,   5.135)  (  5.046,   6.759,   5.135)  ( 0.01,  0.01,  0.00)
168:     torsion (  1.173,   3.527,  -5.707)  (  1.173,   3.527,  -5.706)  ( 0.00,  0.01,  0.01)
168:     oop     (  0.194,   0.561,  -0.910)  (  0.158,   0.454,  -0.735)  ( 0.69,  5.96, 15.93)
168:     vdw     ( -2.822,   0.795,   0.719)  ( -2.822,   0.795,   0.719)  ( 0.00,  0.00,  0.00)
168:     electro (  0.089,  -0.229,  -0.294)  (  0.089,  -0.229,  -0.294)  ( 0.00,  0.00,  0.00)
168:  4       ( 30.352,   2.828,   6.301)  ( 30.363,   2.860,   6.551)  ( 0.04,  1.11,  3.98)
168:     bond    ( 44.923,   3.054,  10.850)  ( 44.929,   3.058,  10.852)  ( 0.01,  0.15,  0.02)
168:     angle   (-11.137,   3.853,   1.631)  (-11.135,   3.855,   1.632)  ( 0.02,  0.05,  0.04)
168:     strbnd  ( -0.803,  -4.122,  -2.305)  ( -0.804,  -4.123,  -2.306)  ( 0.08,  0.01,  0.01)
168:     torsion ( -0.049,  -0.229,  -1.535)  ( -0.049,  -0.229,  -1.535)  ( 0.00,  0.01,  0.05)
168:     oop     ( -0.023,  -0.118,  -0.821)  ( -0.020,  -0.093,  -0.574)  ( 0.01,  0.29, 20.32)
168:     vdw     ( -2.511,   0.309,  -1.489)  ( -2.511,   0.309,  -1.489)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.048,   0.082,  -0.029)  ( -0.048,   0.082,  -0.029)  ( 0.00,  0.00,  0.00)
168:  5       ( -7.959, -75.966, -41.392)  ( -7.969, -76.008, -41.306)  ( 0.13,  0.05,  0.21)
168:     bond    (  8.045, -42.089, -24.804)  (  8.052, -42.083, -24.802)  ( 0.09,  0.01,  0.01)
168:     angle   (-16.828, -30.092, -21.409)  (-16.826, -30.090, -21.409)  ( 0.01,  0.01,  0.00)
168:     strbnd  (  5.512,  -1.560,   0.571)  (  5.511,  -1.560,   0.570)  ( 0.02,  0.01,  0.01)
168:     torsion ( -1.167,  -3.866,   6.122)  ( -1.167,  -3.866,   6.123)  ( 0.00,  0.01,  0.01)
168:     oop     (  0.067,   0.201,  -0.328)  (  0.049,   0.152,  -0.246)  ( 0.12,  0.98,  2.70)
168:     vdw     ( -3.591,   1.489,  -1.515)  ( -3.591,   1.489,  -1.515)  ( 0.00,  0.00,  0.00)
168:     electro (  0.003,  -0.050,  -0.029)  (  0.003,  -0.050,  -0.029)  ( 0.00,  0.00,  0.00)
168:  6       (-30.275,  -4.989,  10.254)  (-30.271,  -4.995,   9.731)  ( 0.01,  0.12,  5.10)
168:     bond    (-46.066,  -5.896,   0.687)  (-46.059,  -5.889,   0.688)  ( 0.01,  0.11,  0.01)
168:     angle   ( 11.582,  -5.904,   1.352)  ( 11.584,  -5.902,   1.352)  ( 0.02,  0.04,  0.01)
168:     strbnd  (  1.321,   5.298,   0.111)  (  1.319,   5.297,   0.111)  ( 0.08,  0.01,  0.00)
168:     torsion (  0.044,   1.140,   6.540)  (  0.044,   1.140,   6.541)  ( 0.00,  0.01,  0.02)
168:     oop     ( -0.012,   0.131,   2.561)  ( -0.015,   0.116,   2.037)  ( 0.00,  0.19, 20.47)
168:     vdw     (  2.802,   0.309,  -0.945)  (  2.802,   0.309,  -0.945)  ( 0.00,  0.00,  0.00)
168:     electro (  0.053,  -0.066,  -0.053)  (  0.053,  -0.066,  -0.053)  ( 0.00,  0.00,  0.00)
168:  7       ( 12.681,  86.824, -19.019)  ( 12.702,  86.782, -19.289)  ( 0.17,  0.05,  1.42)
168:     bond    ( -5.030,  48.598,  -6.009)  ( -5.023,  48.605,  -6.009)  ( 0.14,  0.01,  0.00)
168:     angle   ( 20.610,  38.351,  -5.278)  ( 20.612,  38.353,  -5.277)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -7.020,   1.621,  -1.168)  ( -7.021,   1.621,  -1.168)  ( 0.02,  0.02,  0.01)
168:     torsion (  0.098,  -1.110,  -6.501)  (  0.098,  -1.110,  -6.500)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.002,   0.211,   1.179)  (  0.015,   0.160,   0.909)  ( 0.00,  1.08, 22.95)
168:     vdw     (  4.021,  -0.905,  -1.238)  (  4.021,  -0.905,  -1.238)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.001,   0.057,  -0.004)  ( -0.001,   0.057,  -0.004)  ( 0.00,  0.00,  0.00)
168:  8       ( -0.291, -31.753,   6.515)  ( -0.281, -31.746,   6.468)  ( 0.30,  0.02,  0.71)
168:     bond    ( 17.320,  -9.193,   0.193)  ( 17.327,  -9.187,   0.193)  ( 0.04,  0.07,  0.00)
168:     angle   (-21.343, -31.556,   3.930)  (-21.342, -31.553,   3.930)  ( 0.01,  0.01,  0.00)
168:     strbnd  (  3.117,   8.773,  -0.540)  (  3.116,   8.771,  -0.540)  ( 0.03,  0.01,  0.00)
168:     torsion (  0.062,   0.254,   3.026)  (  0.062,   0.254,   3.027)  ( 0.00,  0.00,  0.04)
168:     oop     ( -0.019,  -0.027,  -0.085)  ( -0.016,  -0.028,  -0.132)  ( 0.00,  0.00,  0.40)
168:     vdw     (  0.599,   0.238,  -0.003)  (  0.599,   0.238,  -0.003)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.028,  -0.242,  -0.006)  ( -0.028,  -0.242,  -0.006)  ( 0.00,  0.00,  0.00)
168:  9       ( 44.982,   3.387,   2.990)  ( 44.985,   3.386,   2.902)  ( 0.01,  0.03,  2.94)
168:     bond    ( 27.504,   4.642,  -1.536)  ( 27.511,   4.648,  -1.536)  ( 0.02,  0.14,  0.00)
168:     angle   ( 15.991,   5.308,  -0.805)  ( 15.993,   5.309,  -0.804)  ( 0.01,  0.04,  0.01)
168:     strbnd  ( -0.547,  -8.870,   0.817)  ( -0.547,  -8.870,   0.817)  ( 0.03,  0.01,  0.00)
168:     torsion (  0.167,   0.437,   4.249)  (  0.167,   0.437,   4.250)  ( 0.00,  0.00,  0.03)
168:     oop     (  0.027,   0.073,   0.647)  (  0.022,   0.064,   0.558)  ( 0.01,  0.07,  5.77)
168:     vdw     (  1.899,   1.622,  -0.325)  (  1.899,   1.622,  -0.325)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.060,   0.176,  -0.057)  ( -0.060,   0.176,  -0.057)  ( 0.00,  0.00,  0.00)
168: 10       (-30.774, -26.770,  -2.379)  (-30.760, -26.705,  -1.847)  ( 0.04,  0.25, 22.36)
168:     bond    (-33.338, -10.219,   2.044)  (-33.333, -10.213,   2.044)  ( 0.02,  0.06,  0.00)
168:     angle   (  5.728,  -6.663,   4.844)  (  5.730,  -6.662,   4.844)  ( 0.04,  0.03,  0.01)
168:     strbnd  ( -5.454,  -7.832,   0.921)  ( -5.455,  -7.833,   0.921)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.215,  -0.970,  -8.075)  ( -0.215,  -0.970,  -8.074)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.036,  -0.302,  -2.716)  ( -0.029,  -0.244,  -2.185)  ( 0.02,  1.75, 19.54)
168:     vdw     (  2.593,  -1.118,   0.786)  (  2.593,  -1.118,   0.786)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.051,   0.334,  -0.183)  ( -0.051,   0.334,  -0.183)  ( 0.00,  0.00,  0.00)
168: 11       (-26.667, -22.028,   3.570)  (-26.663, -22.040,   3.403)  ( 0.01,  0.05,  4.70)
168:     bond    ( -1.917,  -0.727,  -0.074)  ( -1.913,  -0.722,  -0.070)  ( 0.20,  0.32,  0.03)
168:     angle   (-29.136, -26.052,   2.735)  (-29.134, -26.050,   2.736)  ( 0.01,  0.01,  0.05)
168:     strbnd  (  4.010,   7.688,  -1.200)  (  4.009,   7.687,  -1.200)  ( 0.01,  0.02,  0.04)
168:     torsion (  0.015,   0.059,   0.642)  (  0.015,   0.059,   0.642)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.009,   0.064,   0.656)  (  0.007,   0.046,   0.483)  ( 0.00,  0.11, 11.35)
168:     vdw     (  0.354,  -2.969,   0.608)  (  0.354,  -2.969,   0.608)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.002,  -0.091,   0.203)  ( -0.002,  -0.091,   0.203)  ( 0.00,  0.00,  0.00)
168: 12       ( -2.870,   3.726,  -2.257)  ( -2.866,   3.733,  -2.186)  ( 0.13,  0.18,  3.13)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bej_muf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bel_pox.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ben_leh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bet_ctf.sdf
166:     angle   (  0.202,   7.188,  -7.171)  (  0.204,   7.190,  -7.169)  ( 0.04,  0.03,  0.02)
166:     strbnd  (  3.369,  -1.380,  -2.585)  (  3.367,  -1.380,  -2.585)  ( 0.04,  0.05,  0.01)
166:     torsion ( -0.244,   1.380,   2.916)  ( -0.244,   1.381,   2.917)  ( 0.00,  0.01,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.952,   7.510,   2.573)  ( -0.952,   7.510,   2.573)  ( 0.00,  0.00,  0.00)
166:     electro (  0.755,   3.009,   0.796)  (  0.755,   3.009,   0.796)  ( 0.00,  0.00,  0.00)
166: 24       (  0.041,   0.038,  -0.066)  (  0.041,   0.040,  -0.065)  ( 0.00,  0.01,  0.01)
166:     bond    (  0.060,   1.792,   1.597)  (  0.060,   1.794,   1.599)  ( 0.00,  0.10,  0.09)
166:     angle   ( -3.575,  -1.364,   1.663)  ( -3.575,  -1.363,   1.664)  ( 0.02,  0.02,  0.02)
166:     strbnd  ( -0.521,   0.527,  -1.117)  ( -0.521,   0.527,  -1.117)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.220,   0.007,  -0.016)  (  0.220,   0.007,  -0.016)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.856,  -0.925,  -2.194)  (  3.857,  -0.925,  -2.194)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 25       (  0.066,  -0.058,  -0.075)  (  0.072,  -0.052,  -0.069)  ( 0.04,  0.03,  0.04)
166:     bond    (-13.633,   0.941,  12.416)  (-13.629,   0.945,  12.421)  ( 0.03,  0.39,  0.04)
166:     angle   (  2.350,   2.416,  -9.408)  (  2.353,   2.418,  -9.406)  ( 0.09,  0.08,  0.02)
166:     strbnd  (  0.055,   4.163,  -0.501)  (  0.054,   4.162,  -0.502)  ( 0.00,  0.03,  0.04)
166:     torsion (  2.065,  -2.248,   1.183)  (  2.065,  -2.248,   1.183)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  6.223,  -3.991,  -2.667)  (  6.223,  -3.991,  -2.667)  ( 0.00,  0.00,  0.00)
166:     electro (  3.006,  -1.338,  -1.097)  (  3.006,  -1.338,  -1.097)  ( 0.00,  0.00,  0.00)
166: 26       ( -0.052,  -0.091,  -0.008)  ( -0.051,  -0.090,  -0.005)  ( 0.00,  0.01,  0.00)
166:     bond    ( -0.508,   1.114,  -2.671)  ( -0.508,   1.115,  -2.668)  ( 0.01,  0.04,  0.10)
166:     angle   ( -3.386,  -1.138,   0.169)  ( -3.386,  -1.138,   0.170)  ( 0.02,  0.04,  0.00)
166:     strbnd  ( -0.285,   1.027,   0.757)  ( -0.285,   1.027,   0.757)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.517,   0.425,   0.276)  ( -0.517,   0.425,   0.276)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.645,  -1.519,   1.461)  (  4.645,  -1.518,   1.461)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 27       ( -0.053,   0.087,   0.044)  ( -0.047,   0.093,   0.047)  ( 0.03,  0.05,  0.01)
166:     bond    (-15.148,  -5.941, -10.039)  (-15.143,  -5.937, -10.037)  ( 0.03,  0.08,  0.02)
166:     angle   ( -5.200,  -8.059,   8.744)  ( -5.198,  -8.058,   8.745)  ( 0.03,  0.02,  0.02)
166:     strbnd  ( -1.543,  -1.202,   1.549)  ( -1.544,  -1.203,   1.548)  ( 0.04,  0.04,  0.03)
166:     torsion ( -0.831,   0.963,  -3.227)  ( -0.831,   0.963,  -3.226)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  6.577,   4.313,  -0.037)  (  6.577,   4.313,  -0.037)  ( 0.00,  0.00,  0.00)
166:     electro ( 16.093,  10.014,   3.054)  ( 16.093,  10.014,   3.054)  ( 0.00,  0.00,  0.00)
166: 28       (  0.001,   0.014,  -0.042)  (  0.002,   0.015,  -0.039)  ( 0.00,  0.00,  0.01)
166:     bond    (  0.463,  -1.202,   2.694)  (  0.464,  -1.202,   2.697)  ( 0.00,  0.05,  0.10)
166:     angle   (  0.035,  -0.321,  -0.149)  (  0.036,  -0.320,  -0.149)  ( 0.00,  0.01,  0.00)
166:     strbnd  ( -0.222,  -0.567,  -1.132)  ( -0.222,  -0.567,  -1.132)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.438,  -1.586,  -0.782)  (  0.438,  -1.586,  -0.782)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.714,   3.690,  -0.674)  ( -0.714,   3.690,  -0.674)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 29       (  0.008,   0.030,   0.008)  (  0.008,   0.032,   0.009)  ( 0.00,  0.01,  0.00)
166:     bond    ( -0.087,  -1.217,  -1.051)  ( -0.087,  -1.215,  -1.050)  ( 0.00,  0.16,  0.14)
166:     angle   ( -0.252,   0.112,  -0.110)  ( -0.251,   0.113,  -0.110)  ( 0.02,  0.00,  0.00)
166:     strbnd  (  0.115,   0.045,   1.331)  (  0.115,   0.045,   1.331)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.210,   0.236,  -0.255)  ( -0.210,   0.236,  -0.255)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.441,   0.855,   0.093)  (  0.441,   0.855,   0.093)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 30       ( -0.057,   0.017,   0.002)  ( -0.054,   0.018,   0.002)  ( 0.02,  0.00,  0.00)
166:     bond    ( -1.435,   0.851,  -0.093)  ( -1.433,   0.852,  -0.093)  ( 0.17,  0.08,  0.00)
166:     angle   ( -0.122,  -0.244,  -0.343)  ( -0.122,  -0.243,  -0.342)  ( 0.00,  0.01,  0.02)
166:     strbnd  (  0.598,  -0.582,   1.034)  (  0.598,  -0.582,   1.034)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.027,  -0.078,  -0.298)  ( -0.027,  -0.078,  -0.297)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.930,   0.070,  -0.299)  (  0.930,   0.070,  -0.299)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 31       (  0.005,  -0.020,   0.028)  (  0.006,  -0.019,   0.031)  ( 0.00,  0.00,  0.01)
166:     bond    (  0.312,  -0.902,   2.849)  (  0.312,  -0.902,   2.852)  ( 0.00,  0.03,  0.11)
166:     angle   ( -0.502,   0.107,   0.089)  ( -0.501,   0.107,   0.089)  ( 0.03,  0.01,  0.00)
166:     strbnd  ( -0.940,   0.677,  -0.469)  ( -0.940,   0.677,  -0.469)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.235,   1.160,   0.502)  ( -1.235,   1.160,   0.502)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.370,  -1.062,  -2.942)  (  2.370,  -1.062,  -2.942)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 32       (  0.003,  -0.016,  -0.010)  (  0.005,  -0.014,  -0.009)  ( 0.00,  0.00,  0.00)
166:     bond    ( -0.021,  -0.018,   0.009)  ( -0.019,  -0.016,   0.009)  ( 0.00,  0.00,  0.00)
166:     angle   ( -0.160,   0.222,   0.062)  ( -0.160,   0.222,   0.062)  ( 0.00,  0.01,  0.00)
166:     strbnd  ( -0.521,   0.030,  -0.937)  ( -0.521,   0.030,  -0.938)  ( 0.00,  0.00,  0.01)
166:     torsion (  0.592,  -0.069,   1.057)  (  0.592,  -0.069,   1.057)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.902,   0.369,   0.423)  (  0.902,   0.369,   0.423)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.789,  -0.550,  -0.623)  ( -0.789,  -0.550,  -0.623)  ( 0.00,  0.00,  0.00)
166: 33       ( -0.030,  -0.053,   0.105)  ( -0.019,  -0.047,   0.022)  ( 0.03,  0.03,  0.87)
166:     bond    ( -1.616,  -9.765,   0.189)  ( -1.616,  -9.756,   0.189)  ( 0.01,  0.10,  0.00)
166:     angle   ( 20.636,  -3.367,   2.623)  ( 20.637,  -3.367,   2.623)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  0.680,   2.049,   0.006)  (  0.680,   2.049,   0.006)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.339,   0.113,   2.931)  ( -0.339,   0.113,   2.931)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.045,   0.015,   0.377)  ( -0.035,   0.012,   0.294)  ( 0.04,  0.00,  3.13)
166:     vdw     ( -3.314,  -1.163,  -1.055)  ( -3.314,  -1.163,  -1.055)  ( 0.00,  0.00,  0.00)
166:     electro (-16.031,  12.066,  -4.968)  (-16.031,  12.066,  -4.968)  ( 0.00,  0.00,  0.00)
166: 34       (  0.021,   0.161,   0.031)  (  0.031,   0.164,  -0.005)  ( 0.02,  0.05,  0.11)
166:     bond    ( -3.927,   2.786,  -0.594)  ( -3.921,   2.789,  -0.594)  ( 0.15,  0.13,  0.00)
166:     angle   ( 16.132,  -2.853,   2.371)  ( 16.132,  -2.852,   2.372)  ( 0.00,  0.05,  0.01)
166:     strbnd  ( -0.845,   3.072,  -0.258)  ( -0.845,   3.072,  -0.258)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bfi_ndu.sdf
168:     bond    ( -1.203,  -0.681,   0.064)  ( -1.200,  -0.680,   0.064)  ( 0.25,  0.07,  0.00)
168:     angle   ( -3.337,   5.858,  -0.289)  ( -3.337,   5.858,  -0.289)  ( 0.00,  0.01,  0.00)
168:     strbnd  (  0.884,  -1.534,   0.070)  (  0.884,  -1.534,   0.070)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.026,  -0.127,  -1.856)  ( -0.026,  -0.127,  -1.856)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.003,  -0.017,  -0.242)  ( -0.002,  -0.012,  -0.171)  ( 0.00,  0.01,  1.70)
168:     vdw     (  0.644,   0.265,  -0.021)  (  0.644,   0.265,  -0.021)  ( 0.00,  0.00,  0.00)
168:     electro (  0.172,  -0.037,   0.018)  (  0.172,  -0.037,   0.018)  ( 0.00,  0.00,  0.00)
168: 13       ( -3.039,  -3.637,  -0.645)  ( -3.036,  -3.632,  -0.621)  ( 0.10,  0.13,  1.57)
168:     bond    ( -1.376,   1.267,  -0.103)  ( -1.374,   1.269,  -0.103)  ( 0.15,  0.14,  0.00)
168:     angle   ( -4.815,  -5.170,   0.545)  ( -4.815,  -5.170,   0.545)  ( 0.01,  0.01,  0.00)
168:     strbnd  (  1.880,   0.883,  -0.174)  (  1.880,   0.883,  -0.174)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.019,  -0.089,  -0.837)  ( -0.019,  -0.089,  -0.837)  ( 0.00,  0.00,  0.03)
168:     oop     ( -0.002,  -0.010,  -0.098)  ( -0.002,  -0.008,  -0.074)  ( 0.00,  0.00,  0.23)
168:     vdw     (  1.159,  -0.292,  -0.017)  (  1.159,  -0.292,  -0.017)  ( 0.00,  0.00,  0.00)
168:     electro (  0.134,  -0.226,   0.039)  (  0.134,  -0.226,   0.039)  ( 0.00,  0.00,  0.00)
168: 14       ( 26.477,  19.962,  14.448)  ( 26.502,  20.025,  14.358)  ( 0.09,  0.32,  0.62)
168:     bond    (  2.000,   0.807,   0.393)  (  2.004,   0.812,   0.397)  ( 0.19,  0.36,  0.17)
168:     angle   ( 29.017,  24.625,  15.667)  ( 29.019,  24.627,  15.669)  ( 0.01,  0.01,  0.01)
168:     strbnd  ( -3.684,  -7.464,  -4.429)  ( -3.685,  -7.465,  -4.430)  ( 0.02,  0.01,  0.02)
168:     torsion ( -0.089,  -0.284,   0.463)  ( -0.089,  -0.284,   0.463)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.074,  -0.220,   0.362)  ( -0.055,  -0.162,   0.267)  ( 0.14,  1.28,  3.46)
168:     vdw     ( -0.663,   2.502,   1.775)  ( -0.663,   2.502,   1.775)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.030,  -0.005,   0.217)  ( -0.030,  -0.005,   0.217)  ( 0.00,  0.00,  0.00)
168: 15       (  3.238,  -4.313,  -1.243)  (  3.260,  -4.253,  -1.338)  ( 0.67,  1.38,  7.68)
168:     bond    (  1.169,   0.545,   0.557)  (  1.172,   0.545,   0.558)  ( 0.23,  0.03,  0.03)
168:     angle   (  3.953,  -5.603,  -2.827)  (  3.953,  -5.602,  -2.827)  ( 0.00,  0.01,  0.00)
168:     strbnd  ( -0.998,   1.310,   0.666)  ( -0.998,   1.310,   0.666)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.049,  -0.169,   0.268)  ( -0.049,  -0.169,   0.269)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.064,  -0.204,   0.334)  ( -0.045,  -0.145,   0.237)  ( 0.12,  1.19,  3.22)
168:     vdw     ( -0.604,  -0.224,  -0.242)  ( -0.604,  -0.224,  -0.242)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.168,   0.032,   0.001)  ( -0.168,   0.032,   0.001)  ( 0.00,  0.00,  0.00)
168: 16       (  2.827,   3.165,   1.873)  (  2.825,   3.154,   1.894)  ( 0.07,  0.35,  1.16)
168:     bond    (  1.377,  -1.119,  -0.400)  (  1.379,  -1.118,  -0.400)  ( 0.16,  0.13,  0.01)
168:     angle   (  4.447,   4.280,   3.375)  (  4.447,   4.280,   3.375)  ( 0.01,  0.01,  0.01)
168:     strbnd  ( -1.774,  -0.686,  -0.825)  ( -1.774,  -0.686,  -0.825)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.054,   0.148,  -0.229)  (  0.054,   0.148,  -0.229)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.018,   0.053,  -0.087)  (  0.013,   0.040,  -0.065)  ( 0.01,  0.07,  0.18)
168:     vdw     ( -1.150,   0.297,  -0.072)  ( -1.149,   0.297,  -0.072)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.145,   0.192,   0.110)  ( -0.145,   0.192,   0.110)  ( 0.00,  0.00,  0.00)
168: 17       ( 10.855,  29.221,  17.768)  ( 10.869,  29.262,  17.706)  ( 0.13,  0.14,  0.35)
168:     bond    ( -3.169,  26.110,  15.008)  ( -3.169,  26.113,  15.009)  ( 0.01,  0.01,  0.01)
168:     angle   ( 14.067,   0.347,   2.366)  ( 14.068,   0.347,   2.366)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( -0.226,   2.694,   1.435)  ( -0.226,   2.694,   1.435)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.187,   0.538,  -0.897)  (  0.187,   0.538,  -0.897)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.055,  -0.172,   0.287)  ( -0.042,  -0.134,   0.224)  ( 0.07,  0.65,  1.81)
168:     vdw     ( -0.563,  -0.467,  -0.562)  ( -0.563,  -0.467,  -0.562)  ( 0.00,  0.00,  0.00)
168:     electro (  0.615,   0.171,   0.131)  (  0.615,   0.171,   0.131)  ( 0.00,  0.00,  0.00)
168: 18       (-14.723, -32.439,  10.525)  (-14.730, -32.402,  10.710)  ( 0.05,  0.11,  1.75)
168:     bond    (  1.321, -29.709,   5.246)  (  1.321, -29.705,   5.247)  ( 0.01,  0.01,  0.01)
168:     angle   (-16.050,  -0.489,   1.274)  (-16.050,  -0.489,   1.274)  ( 0.01,  0.00,  0.00)
168:     strbnd  (  0.072,  -3.233,   0.861)  (  0.072,  -3.233,   0.861)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.052,   0.751,   4.265)  ( -0.052,   0.751,   4.266)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.009,  -0.150,  -0.851)  (  0.001,  -0.118,  -0.667)  ( 0.01,  0.48, 15.66)
168:     vdw     (  0.603,   0.572,  -0.221)  (  0.603,   0.572,  -0.221)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.625,  -0.180,  -0.050)  ( -0.625,  -0.180,  -0.050)  ( 0.00,  0.00,  0.00)
168: 19       ( -9.549, -16.055,  -9.499)  ( -9.547, -16.054,  -9.498)  ( 0.02,  0.01,  0.01)
168:     bond    (  6.549,  -6.489,  -5.236)  (  6.550,  -6.488,  -5.235)  ( 0.02,  0.02,  0.02)
168:     angle   (-15.891, -11.333,  -5.837)  (-15.890, -11.333,  -5.837)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( -1.046,   0.503,   0.436)  ( -1.046,   0.503,   0.436)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.839,   1.264,   1.139)  (  0.839,   1.264,   1.139)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 20       ( -6.872,  -6.628,  -8.449)  ( -6.870,  -6.627,  -8.448)  ( 0.02,  0.01,  0.02)
168:     bond    ( -7.287,   3.445,  -8.054)  ( -7.286,   3.445,  -8.052)  ( 0.02,  0.01,  0.02)
168:     angle   ( -1.156, -10.327,  -3.372)  ( -1.156, -10.326,  -3.372)  ( 0.02,  0.01,  0.01)
168:     strbnd  (  1.415,  -1.060,   1.430)  (  1.415,  -1.060,   1.430)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.156,   1.313,   1.547)  (  0.156,   1.313,   1.547)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 21       ( -5.154, -11.419,  -3.897)  ( -5.153, -11.418,  -3.895)  ( 0.02,  0.01,  0.04)
168:     bond    ( -5.951,  -7.142,   6.246)  ( -5.950,  -7.141,   6.247)  ( 0.02,  0.02,  0.02)
168:     angle   ( -0.744,  -6.990,  -8.698)  ( -0.743,  -6.990,  -8.698)  ( 0.02,  0.00,  0.01)
168:     strbnd  (  1.377,   1.441,  -1.809)  (  1.377,   1.441,  -1.809)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.163,   1.273,   0.365)  (  0.163,   1.273,   0.365)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 22       (  6.707,  14.950,  -4.095)  (  6.709,  14.951,  -4.094)  ( 0.04,  0.00,  0.03)
168:     bond    ( 10.180,   0.038,  -5.182)  ( 10.183,   0.038,  -5.181)  ( 0.02,  0.00,  0.01)
168:     angle   ( -0.643,  16.864,  -1.139)  ( -0.642,  16.864,  -1.139)  ( 0.01,  0.00,  0.03)
168:     strbnd  ( -2.565,   0.430,   1.327)  ( -2.565,   0.430,   1.327)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.266,  -2.382,   0.899)  ( -0.266,  -2.382,   0.899)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 23       (  7.712,   7.044,   4.929)  (  7.712,   7.045,   4.931)  ( 0.01,  0.01,  0.05)
168:     bond    (  2.115,   4.636,   9.930)  (  2.115,   4.637,   9.932)  ( 0.01,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bg8_inh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bgb_ljg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bgc_ljh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bgl_rid.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bgp_vx1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bgq_vx2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bgx_mef.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bgz_vx3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bhe_bzn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bhh_5cp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bhm_ab3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bhm_ahe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bhx_bhx.sdf
166:     torsion (  0.144,  -0.049,  -1.174)  (  0.144,  -0.049,  -1.173)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.036,   0.013,   0.294)  ( -0.031,   0.011,   0.258)  ( 0.02,  0.00,  1.06)
166:     vdw     (-11.558,  -6.965,   1.339)  (-11.558,  -6.965,   1.339)  ( 0.00,  0.00,  0.00)
166:     electro (  0.110,   4.158,  -1.948)  (  0.110,   4.158,  -1.948)  ( 0.00,  0.00,  0.00)
166: 35       ( -0.101,  -0.084,  -0.013)  ( -0.097,  -0.081,  -0.013)  ( 0.04,  0.02,  0.00)
166:     bond    (  0.234,   0.187,   0.015)  (  0.238,   0.189,   0.015)  ( 0.08,  0.04,  0.00)
166:     angle   ( -9.135,  11.640,  -1.684)  ( -9.135,  11.640,  -1.684)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( -1.252,  -0.773,  -0.092)  ( -1.252,  -0.773,  -0.092)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.050,  -0.027,  -0.452)  (  0.050,  -0.027,  -0.452)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.204,   0.155,  -0.034)  ( -0.204,   0.155,  -0.034)  ( 0.00,  0.00,  0.00)
166:     electro ( 10.207, -11.265,   2.235)  ( 10.207, -11.265,   2.235)  ( 0.00,  0.00,  0.00)
166: 36       (  0.023,  -0.029,  -0.012)  (  0.030,  -0.025,  -0.007)  ( 0.01,  0.01,  0.01)
166:     bond    (  1.340,  -4.011,  -2.272)  (  1.346,  -4.008,  -2.268)  ( 0.45,  0.07,  0.18)
166:     angle   ( -1.289,   0.664,   1.982)  ( -1.288,   0.666,   1.984)  ( 0.08,  0.10,  0.10)
166:     strbnd  (  0.232,  -0.792,   0.487)  (  0.231,  -0.793,   0.486)  ( 0.02,  0.03,  0.03)
166:     torsion ( -1.155,   0.195,  -0.282)  ( -1.155,   0.195,  -0.282)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.717,   5.471,   0.093)  (  0.717,   5.471,   0.093)  ( 0.00,  0.00,  0.00)
166:     electro (  0.179,  -1.556,  -0.020)  (  0.179,  -1.556,  -0.020)  ( 0.00,  0.00,  0.00)
166: 37       (  0.029,   0.043,  -0.047)  (  0.034,   0.047,  -0.041)  ( 0.01,  0.02,  0.03)
166:     bond    (  1.435,  -3.700,  -1.718)  (  1.438,  -3.696,  -1.713)  ( 0.27,  0.10,  0.31)
166:     angle   (  0.328,   0.545,   0.556)  (  0.329,   0.546,   0.558)  ( 0.03,  0.08,  0.12)
166:     strbnd  ( -0.069,  -0.300,   0.440)  ( -0.069,  -0.301,   0.439)  ( 0.00,  0.01,  0.04)
166:     torsion (  0.956,   0.601,   0.479)  (  0.956,   0.601,   0.479)  ( 0.01,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.832,   4.136,   0.355)  ( -2.832,   4.136,   0.355)  ( 0.00,  0.00,  0.00)
166:     electro (  0.210,  -1.238,  -0.159)  (  0.210,  -1.238,  -0.159)  ( 0.00,  0.00,  0.00)
166: 38       ( -0.013,   0.017,  -0.005)  ( -0.012,   0.019,  -0.003)  ( 0.00,  0.00,  0.00)
166:     bond    (  0.435,  -0.767,   0.899)  (  0.435,  -0.766,   0.901)  ( 0.02,  0.11,  0.17)
166:     angle   (  0.496,   0.229,  -0.045)  (  0.496,   0.229,  -0.045)  ( 0.03,  0.00,  0.00)
166:     strbnd  ( -0.157,   0.213,  -0.446)  ( -0.157,   0.213,  -0.446)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.563,  -0.012,  -0.282)  (  0.563,  -0.012,  -0.283)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.724,   0.200,   0.015)  ( -0.724,   0.200,   0.015)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.625,   0.154,  -0.145)  ( -0.625,   0.154,  -0.145)  ( 0.00,  0.00,  0.00)
166: 39       ( -0.005,  -0.008,   0.012)  ( -0.003,  -0.007,   0.014)  ( 0.00,  0.00,  0.00)
166:     bond    (  0.863,   0.325,  -0.866)  (  0.864,   0.325,  -0.865)  ( 0.15,  0.01,  0.15)
166:     angle   (  0.432,  -1.789,  -0.241)  (  0.433,  -1.789,  -0.241)  ( 0.01,  0.02,  0.01)
166:     strbnd  ( -0.148,  -0.179,   0.111)  ( -0.148,  -0.179,   0.111)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.500,  -0.248,   0.406)  (  0.500,  -0.248,   0.406)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.310,   2.013,   0.436)  ( -1.310,   2.013,   0.436)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.342,  -0.130,   0.167)  ( -0.342,  -0.130,   0.167)  ( 0.00,  0.00,  0.00)
166: 40       ( -0.029,  -0.039,   0.034)  ( -0.028,  -0.036,   0.035)  ( 0.00,  0.01,  0.00)
166:     bond    ( -0.592,  -0.813,   0.455)  ( -0.591,  -0.811,   0.456)  ( 0.06,  0.16,  0.03)
166:     angle   ( -0.349,   0.064,  -0.339)  ( -0.348,   0.064,  -0.339)  ( 0.01,  0.00,  0.02)
166:     strbnd  (  0.254,   0.177,  -0.194)  (  0.254,   0.177,  -0.194)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.231,  -0.135,  -0.540)  ( -0.231,  -0.135,  -0.540)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.504,   0.376,   0.413)  (  0.504,   0.376,   0.413)  ( 0.00,  0.00,  0.00)
166:     electro (  0.385,   0.292,   0.238)  (  0.385,   0.292,   0.238)  ( 0.00,  0.00,  0.00)
166: 41       (  0.005,  -0.012,   0.021)  (  0.005,  -0.011,   0.024)  ( 0.00,  0.00,  0.01)
166:     bond    ( -0.265,   0.213,  -1.387)  ( -0.265,   0.213,  -1.384)  ( 0.00,  0.00,  0.25)
166:     angle   ( -0.002,  -0.794,  -0.122)  ( -0.001,  -0.793,  -0.122)  ( 0.00,  0.04,  0.00)
166:     strbnd  (  0.104,  -0.149,   0.254)  (  0.104,  -0.149,   0.254)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.534,  -0.473,   0.029)  ( -0.534,  -0.473,   0.029)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.465,   1.537,   0.914)  (  0.465,   1.537,   0.914)  ( 0.00,  0.00,  0.00)
166:     electro (  0.237,  -0.346,   0.332)  (  0.237,  -0.346,   0.332)  ( 0.00,  0.00,  0.00)
166: 42       (  0.013,   0.008,  -0.041)  (  0.014,   0.009,  -0.038)  ( 0.00,  0.00,  0.01)
166:     bond    ( -1.424,  -0.121,   4.422)  ( -1.424,  -0.120,   4.425)  ( 0.03,  0.00,  0.07)
166:     angle   (  0.750,  -1.072,   0.212)  (  0.750,  -1.071,   0.212)  ( 0.02,  0.08,  0.00)
166:     strbnd  (  0.500,  -0.190,  -1.471)  (  0.500,  -0.190,  -1.471)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.246,   0.662,  -0.061)  ( -0.246,   0.662,  -0.061)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.074,   0.895,  -1.822)  ( -0.074,   0.895,  -1.822)  ( 0.00,  0.00,  0.00)
166:     electro (  0.507,  -0.167,  -1.321)  (  0.507,  -0.167,  -1.321)  ( 0.00,  0.00,  0.00)
166: ok 24 # gradients 
166: ok 25 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bi1_3bi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bi2_297.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bi4_298.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bi5_dia.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bi6_396.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3biz_61e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bjc_wan.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bk0_cnu.sdf
166:  1       (  0.094,  -0.054,   0.252)  (  0.101,  -0.049,   0.257)  ( 0.07,  0.03,  0.12)
166:     bond    (  0.405,   3.441,   0.242)  (  0.412,   3.445,   0.242)  ( 0.28,  0.13,  0.00)
166:     angle   ( -0.409,   0.650,  -0.195)  ( -0.408,   0.652,  -0.195)  ( 0.06,  0.11,  0.00)
166:     strbnd  ( -0.322,  -4.041,  -0.254)  ( -0.322,  -4.042,  -0.254)  ( 0.01,  0.03,  0.00)
166:     torsion ( -0.032,  -0.018,   0.320)  ( -0.032,  -0.018,   0.321)  ( 0.00,  0.00,  0.03)
166:     oop     (  0.002,   0.001,  -0.014)  (  0.001,   0.001,  -0.011)  ( 0.00,  0.00,  0.01)
166:     vdw     ( -0.047,  -0.020,  -0.019)  ( -0.047,  -0.020,  -0.019)  ( 0.00,  0.00,  0.00)
166:     electro (  0.497,  -0.068,   0.172)  (  0.497,  -0.068,   0.172)  ( 0.00,  0.00,  0.00)
166:  2       ( -0.202,  -0.384,   0.053)  ( -0.198,  -0.377,   0.070)  ( 0.09,  0.28,  0.09)
166:     bond    (  3.541,  -2.137,   0.264)  (  3.546,  -2.131,   0.265)  ( 0.15,  0.30,  0.00)
166:     angle   (  1.746,   1.275,   0.298)  (  1.748,   1.277,   0.298)  ( 0.10,  0.14,  0.00)
166:     strbnd  ( -2.090,   1.285,  -0.146)  ( -2.091,   1.285,  -0.146)  ( 0.05,  0.01,  0.00)
166:     torsion (  0.033,   0.016,  -0.297)  (  0.034,   0.016,  -0.296)  ( 0.00,  0.00,  0.04)
166:     oop     (  0.010,   0.005,  -0.088)  (  0.009,   0.004,  -0.072)  ( 0.00,  0.00,  0.14)
166:     vdw     ( -3.041,  -0.539,  -0.132)  ( -3.041,  -0.539,  -0.132)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.403,  -0.288,   0.154)  ( -0.403,  -0.288,   0.154)  ( 0.00,  0.00,  0.00)
166:  3       ( -0.110,   0.062,   0.058)  ( -0.093,   0.078,  -0.064)  ( 0.18,  0.10,  0.70)
166:     bond    ( 10.808,   8.532,   1.851)  ( 10.812,   8.538,   1.851)  ( 0.04,  0.07,  0.01)
166:     angle   ( -1.280, -12.576,  -1.628)  ( -1.278, -12.574,  -1.628)  ( 0.16,  0.02,  0.03)
166:     strbnd  ( -2.662,  -2.231,  -0.989)  ( -2.662,  -2.232,  -0.989)  ( 0.02,  0.03,  0.01)
166:     torsion ( -0.153,   0.061,   1.120)  ( -0.153,   0.061,   1.121)  ( 0.00,  0.00,  0.09)
166:     oop     ( -0.073,  -0.051,   0.782)  ( -0.062,  -0.043,   0.659)  ( 0.08,  0.04,  9.60)
166:     vdw     ( -8.513,   7.070,  -1.049)  ( -8.513,   7.070,  -1.049)  ( 0.00,  0.00,  0.00)
166:     electro (  1.764,  -0.743,  -0.030)  (  1.764,  -0.743,  -0.030)  ( 0.00,  0.00,  0.00)
166:  4       ( -0.088,  -0.102,  -0.382)  ( -0.110,  -0.122,  -0.055)  ( 0.20,  0.20, 12.48)
166:     bond    ( 20.270,  -4.350,   1.475)  ( 20.275,  -4.343,   1.476)  ( 0.02,  0.15,  0.01)
166:     angle   ( 12.458,  12.739,   3.115)  ( 12.460,  12.741,   3.115)  ( 0.02,  0.01,  0.01)
166:     strbnd  (-17.883,  -3.513,  -1.809)  (-17.884,  -3.514,  -1.809)  ( 0.01,  0.03,  0.00)
166:     torsion (  0.036,   0.065,  -1.684)  (  0.036,   0.065,  -1.683)  ( 0.00,  0.00,  0.04)
166:     oop     (  0.171,   0.149,  -1.871)  (  0.143,   0.122,  -1.545)  ( 0.48,  0.40, 17.39)
166:     vdw     (-12.241,  -4.949,   0.142)  (-12.241,  -4.949,   0.142)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.899,  -0.244,   0.249)  ( -2.899,  -0.244,   0.249)  ( 0.00,  0.00,  0.00)
166:  5       ( -0.068,  -0.017,  -0.125)  ( -0.065,  -0.011,  -0.110)  ( 0.02,  0.01,  0.19)
166:     bond    (  1.518, -21.327,  -9.249)  (  1.522, -21.323,  -9.244)  ( 0.25,  0.02,  0.05)
166:     angle   ( -8.489,  14.472,   7.087)  ( -8.487,  14.475,   7.088)  ( 0.02,  0.02,  0.02)
166:     strbnd  ( 11.557,   1.653,   2.302)  ( 11.556,   1.652,   2.302)  ( 0.01,  0.05,  0.02)
166:     torsion ( -0.182,   0.061,  -1.411)  ( -0.182,   0.061,  -1.410)  ( 0.00,  0.00,  0.02)
166:     oop     (  0.005,   0.003,  -0.040)  (  0.004,   0.002,  -0.031)  ( 0.00,  0.00,  0.04)
166:     vdw     ( -7.969,   3.574,   1.404)  ( -7.968,   3.574,   1.404)  ( 0.00,  0.00,  0.00)
166:     electro (  3.491,   1.548,  -0.219)  (  3.491,   1.548,  -0.219)  ( 0.00,  0.00,  0.00)
166:  6       (  0.024,  -0.167,   0.098)  (  0.036,  -0.156,   0.018)  ( 0.03,  0.18,  0.79)
166:     bond    ( -9.999,  -4.566,  -1.383)  ( -9.996,  -4.563,  -1.383)  ( 0.03,  0.06,  0.00)
166:     angle   (  0.723,  -4.226,  -0.076)  (  0.723,  -4.225,  -0.077)  ( 0.04,  0.03,  0.00)
166:     strbnd  ( 12.551,   6.889,   1.807)  ( 12.551,   6.889,   1.807)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.080,   0.020,  -0.668)  (  0.080,   0.020,  -0.667)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.057,  -0.045,   0.532)  ( -0.048,  -0.038,   0.452)  ( 0.05,  0.03,  4.28)
166:     vdw     ( -3.283,   1.455,  -0.244)  ( -3.283,   1.455,  -0.244)  ( 0.00,  0.00,  0.00)
166:     electro (  0.009,   0.307,   0.130)  (  0.009,   0.307,   0.130)  ( 0.00,  0.00,  0.00)
166:  7       ( -0.002,   0.041,  -0.083)  (  0.003,   0.047,  -0.081)  ( 0.00,  0.02,  0.02)
166:     bond    ( 10.203,   5.616,  25.277)  ( 10.207,   5.620,  25.278)  ( 0.04,  0.07,  0.00)
166:     angle   (-14.427,   4.571, -29.699)  (-14.425,   4.572, -29.697)  ( 0.01,  0.03,  0.01)
166:     strbnd  (  1.147,  -1.228,  -0.703)  (  1.146,  -1.229,  -0.703)  ( 0.05,  0.04,  0.03)
166:     torsion (  1.193,  -0.605,  -0.282)  (  1.193,  -0.605,  -0.282)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  5.912,   0.367,   4.636)  (  5.912,   0.367,   4.636)  ( 0.00,  0.00,  0.00)
166:     electro ( -4.030,  -8.679,   0.687)  ( -4.030,  -8.679,   0.687)  ( 0.00,  0.00,  0.00)
166:  8       ( -0.124,  -0.019,  -0.296)  ( -0.123,  -0.017,  -0.295)  ( 0.01,  0.01,  0.03)
166:     bond    ( -0.019,  -0.836,   0.410)  ( -0.019,  -0.833,   0.411)  ( 0.00,  0.23,  0.03)
166:     angle   (  4.770,  -0.609,  -1.012)  (  4.771,  -0.609,  -1.012)  ( 0.01,  0.01,  0.04)
166:     strbnd  (  0.249,   0.128,  -1.740)  (  0.249,   0.128,  -1.740)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.173,  -0.083,  -0.176)  ( -0.173,  -0.083,  -0.176)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -4.951,   1.380,   2.222)  ( -4.951,   1.380,   2.222)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  9       ( -0.069,   0.131,  -0.224)  ( -0.068,   0.132,  -0.221)  ( 0.01,  0.01,  0.07)
166:     bond    ( -0.548,  -0.489,  -3.470)  ( -0.548,  -0.489,  -3.467)  ( 0.01,  0.00,  0.09)
166:     angle   (  2.634,  -1.083,  -0.264)  (  2.635,  -1.082,  -0.264)  ( 0.02,  0.05,  0.00)
166:     strbnd  (  0.419,  -1.396,   0.765)  (  0.419,  -1.396,   0.765)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.167,  -0.223,   0.058)  ( -0.167,  -0.223,   0.058)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.406,   3.323,   2.687)  ( -2.406,   3.323,   2.687)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 10       ( -0.074,  -0.055,  -0.182)  ( -0.069,  -0.050,  -0.177)  ( 0.04,  0.03,  0.10)
166:     bond    (-15.381,  12.089, -12.058)  (-15.377,  12.093, -12.053)  ( 0.02,  0.04,  0.04)
166:     angle   (  8.484, -11.406,  11.903)  (  8.487, -11.404,  11.904)  ( 0.03,  0.02,  0.01)
166:     strbnd  (  4.060,   9.673,   0.443)  (  4.059,   9.672,   0.443)  ( 0.02,  0.01,  0.02)
166:     torsion (  1.330,  -0.770,  -1.490)  (  1.330,  -0.769,  -1.490)  ( 0.01,  0.00,  0.01)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.699, -11.336,   1.328)  (  1.699, -11.336,   1.328)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.266,   1.694,  -0.308)  ( -0.266,   1.694,  -0.308)  ( 0.00,  0.00,  0.00)
166: 11       (  0.037,  -0.007,  -0.105)  (  0.053,   0.011,  -0.240)  ( 0.06,  0.01,  1.41)
166:     bond    (  9.639,  15.878,   4.037)  (  9.642,  15.883,   4.041)  ( 0.04,  0.03,  0.11)
166:     angle   ( -9.172,  -2.161,  -6.458)  ( -9.170,  -2.158,  -6.456)  ( 0.02,  0.11,  0.02)
166:     strbnd  (  1.149,  -6.264,  -0.982)  (  1.147,  -6.265,  -0.982)  ( 0.10,  0.02,  0.04)
166:     torsion ( -0.350,  -0.442,   3.225)  ( -0.350,  -0.442,   3.225)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.054,  -0.059,   0.659)  ( -0.042,  -0.046,   0.518)  ( 0.06,  0.07,  9.28)
166:     vdw     ( -0.242,  -4.058,  -0.450)  ( -0.242,  -4.058,  -0.450)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.932,  -2.902,  -0.135)  ( -0.932,  -2.902,  -0.135)  ( 0.00,  0.00,  0.00)
166: 12       (  0.007,   0.058,  -0.013)  (  0.009,   0.059,  -0.013)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bki_fqx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bkk_kaf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bkl_kaw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bl1_bl1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bl7_dd1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bl9_dd2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bla_dd3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3blb_swa.sdf
166:     bond    ( -1.070,   0.929,   0.454)  ( -1.069,   0.931,   0.454)  ( 0.16,  0.12,  0.01)
166:     angle   (  4.468,   5.608,  -0.977)  (  4.468,   5.608,  -0.977)  ( 0.01,  0.01,  0.05)
166:     strbnd  (  0.788,  -0.295,  -1.704)  (  0.788,  -0.295,  -1.704)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.551,  -1.028,   0.811)  ( -0.551,  -1.028,   0.811)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.628,  -5.157,   1.404)  ( -3.628,  -5.157,   1.404)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 13       ( -0.120,   0.039,  -0.037)  ( -0.119,   0.040,  -0.033)  ( 0.01,  0.00,  0.01)
166:     bond    ( -0.328,  -0.292,  -3.901)  ( -0.328,  -0.292,  -3.897)  ( 0.00,  0.00,  0.08)
166:     angle   ( -0.446,   1.585,  -0.081)  ( -0.446,   1.585,  -0.081)  ( 0.02,  0.04,  0.00)
166:     strbnd  ( -0.722,   1.212,   0.784)  ( -0.722,   1.212,   0.784)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.435,   1.492,  -0.075)  ( -0.435,   1.492,  -0.075)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.812,  -3.957,   3.236)  (  1.812,  -3.957,   3.236)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 14       (  0.067,   0.147,  -0.288)  (  0.068,   0.148,  -0.285)  ( 0.00,  0.01,  0.08)
166:     bond    ( -0.175,   1.062,   2.357)  ( -0.175,   1.063,   2.360)  ( 0.00,  0.05,  0.12)
166:     angle   ( -0.080,  -0.961,   0.427)  ( -0.080,  -0.961,   0.427)  ( 0.00,  0.04,  0.00)
166:     strbnd  (  0.554,   0.475,  -1.094)  (  0.554,   0.475,  -1.094)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.550,   1.444,  -0.691)  ( -0.550,   1.444,  -0.691)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.318,  -1.873,  -1.287)  (  0.318,  -1.873,  -1.287)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 15       (  0.046,  -0.135,  -0.333)  (  0.047,  -0.133,  -0.331)  ( 0.00,  0.03,  0.06)
166:     bond    (  0.373,   1.480,  -1.330)  (  0.373,   1.482,  -1.328)  ( 0.00,  0.12,  0.11)
166:     angle   ( -2.004,   0.579,   0.084)  ( -2.004,   0.580,   0.085)  ( 0.03,  0.01,  0.00)
166:     strbnd  (  0.258,   0.339,   0.948)  (  0.258,   0.339,   0.948)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.462,  -0.620,  -0.562)  (  0.462,  -0.620,  -0.562)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.958,  -1.914,   0.528)  (  0.958,  -1.914,   0.528)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 16       ( -0.222,  -0.176,   0.346)  ( -0.217,  -0.175,   0.343)  ( 0.09,  0.02,  0.10)
166:     bond    (  0.758,  -0.200,   0.086)  (  0.762,  -0.200,   0.086)  ( 0.28,  0.01,  0.00)
166:     angle   (  0.078,   0.315,   0.044)  (  0.078,   0.315,   0.044)  ( 0.00,  0.02,  0.00)
166:     strbnd  ( -0.224,   0.410,  -0.006)  ( -0.224,   0.410,  -0.006)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.053,  -0.023,   0.416)  ( -0.053,  -0.023,   0.416)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.002,  -0.001,   0.014)  ( -0.001,  -0.001,   0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.370,  -0.087,  -0.051)  ( -0.370,  -0.087,  -0.051)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.409,  -0.590,  -0.156)  ( -0.409,  -0.590,  -0.156)  ( 0.00,  0.00,  0.00)
166: 17       ( -0.172,  -0.001,   0.210)  ( -0.170,   0.003,   0.205)  ( 0.02,  0.00,  0.11)
166:     bond    (  0.202,  -2.402,  -0.106)  (  0.202,  -2.398,  -0.106)  ( 0.00,  0.16,  0.00)
166:     angle   (  0.155,   0.010,   0.062)  (  0.156,   0.010,   0.062)  ( 0.01,  0.00,  0.00)
166:     strbnd  (  0.312,   1.242,   0.101)  (  0.312,   1.242,   0.101)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.037,  -0.018,   0.329)  ( -0.037,  -0.018,   0.329)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.003,  -0.001,   0.025)  ( -0.002,  -0.001,   0.019)  ( 0.00,  0.00,  0.01)
166:     vdw     ( -0.532,   0.720,  -0.009)  ( -0.532,   0.720,  -0.009)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.269,   0.447,  -0.192)  ( -0.269,   0.447,  -0.192)  ( 0.00,  0.00,  0.00)
166: 18       ( -0.081,  -0.033,  -0.057)  ( -0.060,  -0.053,  -0.067)  ( 0.17,  0.07,  0.06)
166:     bond    ( -6.379,   0.928, -24.889)  ( -6.375,   0.931, -24.885)  ( 0.06,  0.30,  0.02)
166:     angle   (  9.056,   0.616,  23.534)  (  9.058,   0.619,  23.536)  ( 0.02,  0.14,  0.01)
166:     strbnd  ( -5.196,  -2.586,  -0.461)  ( -5.197,  -2.587,  -0.462)  ( 0.03,  0.04,  0.02)
166:     torsion (  1.569,  -1.208,   0.648)  (  1.569,  -1.208,   0.648)  ( 0.00,  0.01,  0.00)
166:     oop     ( -0.120,   0.144,   0.106)  ( -0.104,   0.120,   0.090)  ( 0.19,  0.35,  0.17)
166:     vdw     (  1.409,   4.724,  -3.655)  (  1.409,   4.724,  -3.655)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.420,  -2.651,   4.661)  ( -0.420,  -2.651,   4.661)  ( 0.00,  0.00,  0.00)
166: 19       ( -0.058,   0.004,   0.349)  ( -0.047,   0.015,   0.354)  ( 0.06,  0.00,  0.19)
166:     bond    ( -2.284,   1.490,  -1.564)  ( -2.281,   1.492,  -1.560)  ( 0.13,  0.13,  0.31)
166:     angle   ( -1.097,  -5.742,  -2.880)  ( -1.096,  -5.741,  -2.878)  ( 0.12,  0.02,  0.06)
166:     strbnd  (  3.814,  -3.033,   2.137)  (  3.814,  -3.033,   2.137)  ( 0.01,  0.00,  0.01)
166:     torsion (  0.420,   0.671,  -0.162)  (  0.420,   0.672,  -0.162)  ( 0.02,  0.04,  0.00)
166:     oop     ( -0.056,  -0.065,   0.006)  ( -0.050,  -0.058,   0.005)  ( 0.04,  0.05,  0.00)
166:     vdw     ( -0.306,   9.504,   2.421)  ( -0.306,   9.504,   2.421)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.549,  -2.822,   0.391)  ( -0.549,  -2.822,   0.391)  ( 0.00,  0.00,  0.00)
166: 20       (  0.614,   0.560,   0.386)  (  0.502,   0.609,   0.460)  ( 6.89,  2.73,  2.86)
166:     bond    ( -2.231, -20.883,   8.347)  ( -2.227, -20.877,   8.352)  ( 0.15,  0.03,  0.06)
166:     angle   ( -4.426,  15.205,  -3.475)  ( -4.426,  15.207,  -3.473)  ( 0.02,  0.01,  0.05)
166:     strbnd  ( -4.771,  -2.312,  -7.995)  ( -4.772,  -2.313,  -7.996)  ( 0.01,  0.04,  0.02)
166:     torsion ( -2.925,   0.824,   1.217)  ( -2.924,   0.824,   1.217)  ( 0.01,  0.00,  0.00)
166:     oop     (  0.652,  -0.226,  -0.380)  (  0.536,  -0.185,  -0.311)  ( 7.57,  0.92,  2.60)
166:     vdw     (  7.151,   3.310,   3.612)  (  7.151,   3.310,   3.612)  ( 0.00,  0.00,  0.00)
166:     electro (  7.163,   4.641,  -0.940)  (  7.163,   4.641,  -0.940)  ( 0.00,  0.00,  0.00)
166: 21       ( -0.124,  -0.034,   0.051)  ( -0.123,  -0.033,   0.055)  ( 0.01,  0.00,  0.02)
166:     bond    ( -0.235,  -0.308,  -2.219)  ( -0.235,  -0.308,  -2.216)  ( 0.00,  0.00,  0.15)
166:     angle   (  4.698,  -5.851,   0.315)  (  4.699,  -5.850,   0.315)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -0.581,  -0.336,   1.443)  ( -0.581,  -0.336,   1.443)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.301,   0.144,   0.118)  ( -1.301,   0.144,   0.118)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.704,   6.318,   0.395)  ( -2.704,   6.318,   0.395)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 22       ( -0.190,  -0.210,  -0.397)  ( -0.195,  -0.220,  -0.390)  ( 0.10,  0.21,  0.27)
166:     bond    (  7.110,  -5.000,  16.974)  (  7.113,  -4.998,  16.979)  ( 0.05,  0.04,  0.03)
166:     angle   ( -2.542,   1.862,  -6.168)  ( -2.541,   1.862,  -6.166)  ( 0.04,  0.04,  0.03)
166:     strbnd  ( -2.998,   2.586,   2.923)  ( -2.998,   2.586,   2.923)  ( 0.00,  0.00,  0.01)
166:     torsion (  0.187,   0.206,   0.004)  (  0.187,   0.207,   0.004)  ( 0.01,  0.02,  0.00)
166:     oop     (  0.071,   0.090,  -0.001)  (  0.060,   0.076,  -0.000)  ( 0.07,  0.12,  0.00)
166:     vdw     ( -3.409,   1.113, -13.213)  ( -3.409,   1.113, -13.213)  ( 0.00,  0.01,  0.00)
166:     electro (  1.392,  -1.067,  -0.917)  (  1.392,  -1.067,  -0.917)  ( 0.00,  0.00,  0.00)
166: 23       ( -0.334,  -0.228,   0.485)  ( -0.328,  -0.223,   0.493)  ( 0.22,  0.13,  0.36)
166:     bond    ( -4.764,   3.427,  11.494)  ( -4.760,   3.429,  11.499)  ( 0.07,  0.06,  0.05)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bll_bpq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3blq_atp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3blr_cpb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bmy_cxz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bnm_spj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bnu_spz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bnz_c16.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bpr_olp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bqd_day.sdf
166:     angle   (  1.122,  -0.757,   2.811)  (  1.123,  -0.756,   2.813)  ( 0.09,  0.04,  0.06)
166:     strbnd  (  2.035,  -1.610,  -1.356)  (  2.035,  -1.610,  -1.356)  ( 0.01,  0.01,  0.01)
166:     torsion ( -0.226,  -0.307,   0.011)  ( -0.225,  -0.307,   0.011)  ( 0.01,  0.03,  0.00)
166:     oop     ( -0.009,  -0.013,  -0.000)  ( -0.008,  -0.010,  -0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.387,  -0.990, -13.718)  (  1.387,  -0.990, -13.718)  ( 0.00,  0.00,  0.00)
166:     electro (  0.120,   0.021,   1.244)  (  0.120,   0.021,   1.244)  ( 0.00,  0.00,  0.00)
166: 24       (  0.020,  -0.128,  -0.527)  (  0.034,  -0.112,  -0.520)  ( 0.03,  0.20,  0.37)
166:     bond    ( -7.605,   5.610,   5.554)  ( -7.601,   5.612,   5.560)  ( 0.05,  0.04,  0.10)
166:     angle   ( -1.737,   1.343,   0.082)  ( -1.736,   1.343,   0.083)  ( 0.06,  0.05,  0.01)
166:     strbnd  (  0.340,  -0.282,  -1.073)  (  0.340,  -0.282,  -1.073)  ( 0.00,  0.00,  0.02)
166:     torsion (  0.141,   0.176,   0.004)  (  0.142,   0.177,   0.004)  ( 0.01,  0.01,  0.00)
166:     oop     ( -0.055,  -0.073,  -0.001)  ( -0.046,  -0.061,  -0.001)  ( 0.05,  0.09,  0.00)
166:     vdw     (  9.119,  -7.021,  -4.701)  (  9.119,  -7.021,  -4.701)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.183,   0.118,  -0.392)  ( -0.183,   0.118,  -0.392)  ( 0.00,  0.00,  0.00)
166: 25       (  0.159,   0.213,   0.583)  (  0.143,   0.190,   0.589)  ( 0.26,  0.50,  0.38)
166:     bond    (-11.078,   8.736,  -4.694)  (-11.074,   8.738,  -4.688)  ( 0.03,  0.02,  0.12)
166:     angle   (  1.300,  -0.887,  -3.803)  (  1.301,  -0.886,  -3.801)  ( 0.08,  0.06,  0.05)
166:     strbnd  (  1.316,  -0.991,   0.244)  (  1.316,  -0.991,   0.244)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.076,  -0.091,   0.002)  ( -0.076,  -0.090,   0.002)  ( 0.00,  0.01,  0.00)
166:     oop     (  0.140,   0.179,   0.005)  (  0.119,   0.152,   0.004)  ( 0.30,  0.49,  0.00)
166:     vdw     (  8.950,  -6.944,   9.005)  (  8.950,  -6.943,   9.005)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.393,   0.211,  -0.176)  ( -0.393,   0.211,  -0.176)  ( 0.00,  0.00,  0.00)
166: 26       (  0.084,   0.183,  -0.225)  (  0.142,   0.255,  -0.217)  ( 0.48,  1.32,  0.18)
166:     bond    ( -0.944,   0.846, -18.247)  ( -0.940,   0.848, -18.243)  ( 0.30,  0.17,  0.02)
166:     angle   (  7.126,  -5.296,   3.718)  (  7.127,  -5.296,   3.720)  ( 0.01,  0.01,  0.05)
166:     strbnd  ( -7.430,   5.904,   0.945)  ( -7.430,   5.904,   0.944)  ( 0.00,  0.00,  0.05)
166:     torsion ( -0.866,  -1.152,  -0.063)  ( -0.866,  -1.152,  -0.063)  ( 0.03,  0.06,  0.00)
166:     oop     ( -0.313,  -0.407,  -0.015)  ( -0.261,  -0.338,  -0.012)  ( 1.66,  2.81,  0.00)
166:     vdw     (  3.069,  -0.873,  13.253)  (  3.069,  -0.873,  13.253)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.557,   1.161,   0.184)  ( -0.557,   1.161,   0.184)  ( 0.00,  0.00,  0.00)
166: 27       ( -0.315,  -0.428,   0.139)  ( -0.314,  -0.427,   0.141)  ( 0.05,  0.03,  0.03)
166:     bond    (  2.446,  -1.770,   2.501)  (  2.447,  -1.769,   2.503)  ( 0.06,  0.04,  0.06)
166:     angle   ( -1.543,   1.181,   2.343)  ( -1.543,   1.181,   2.344)  ( 0.01,  0.01,  0.02)
166:     strbnd  ( -1.339,   0.977,  -0.789)  ( -1.339,   0.977,  -0.789)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.988,   1.336,  -0.022)  (  0.988,   1.336,  -0.022)  ( 0.01,  0.02,  0.00)
166:     oop     (  0.002,   0.003,  -0.000)  (  0.002,   0.002,  -0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.259,  -2.708,  -3.410)  (  1.260,  -2.708,  -3.410)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.129,   0.554,  -0.484)  ( -2.129,   0.554,  -0.484)  ( 0.00,  0.00,  0.00)
166: 28       (  0.161,   0.473,  -0.074)  (  0.162,   0.473,  -0.072)  ( 0.01,  0.00,  0.01)
166:     bond    ( -1.791,   1.438,  -1.751)  ( -1.790,   1.439,  -1.750)  ( 0.08,  0.07,  0.08)
166:     angle   ( -0.694,   0.523,   1.139)  ( -0.694,   0.523,   1.139)  ( 0.01,  0.00,  0.04)
166:     strbnd  (  0.572,  -0.470,   0.906)  (  0.572,  -0.470,   0.906)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.222,   0.282,   0.005)  (  0.222,   0.283,   0.005)  ( 0.00,  0.01,  0.00)
166:     oop     (  0.006,   0.008,   0.000)  (  0.005,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.510,  -1.901,  -1.427)  (  2.510,  -1.901,  -1.427)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.665,   0.593,   1.054)  ( -0.665,   0.593,   1.054)  ( 0.00,  0.00,  0.00)
166: 29       (  0.385,   0.558,   0.067)  (  0.367,   0.535,   0.068)  ( 0.68,  1.30,  0.01)
166:     bond    (  0.302,  -0.086,  -3.852)  (  0.302,  -0.086,  -3.850)  ( 0.00,  0.00,  0.06)
166:     angle   ( -6.191,   4.765,  -0.593)  ( -6.191,   4.765,  -0.593)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  0.076,   0.015,  -2.804)  (  0.076,   0.015,  -2.804)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.648,   0.848,   0.032)  (  0.648,   0.848,   0.032)  ( 0.00,  0.01,  0.00)
166:     oop     (  0.111,   0.143,   0.005)  (  0.093,   0.120,   0.005)  ( 0.20,  0.34,  0.00)
166:     vdw     (  5.741,  -5.031,   8.170)  (  5.741,  -5.031,   8.171)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.302,  -0.096,  -0.891)  ( -0.302,  -0.096,  -0.891)  ( 0.00,  0.00,  0.00)
166: 30       ( -0.388,  -0.464,  -0.137)  ( -0.390,  -0.467,  -0.134)  ( 0.06,  0.11,  0.05)
166:     bond    ( -0.285,   0.192,   2.526)  ( -0.284,   0.192,   2.529)  ( 0.00,  0.00,  0.15)
166:     angle   (  0.191,  -0.141,   0.032)  (  0.191,  -0.141,   0.032)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( -0.092,   0.073,  -0.831)  ( -0.092,   0.073,  -0.831)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.351,  -0.466,  -0.004)  ( -0.351,  -0.466,  -0.004)  ( 0.00,  0.01,  0.00)
166:     oop     (  0.013,   0.017,   0.000)  (  0.011,   0.014,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.124,  -0.078,  -0.755)  (  0.124,  -0.078,  -0.755)  ( 0.00,  0.00,  0.00)
166:     electro (  0.011,  -0.061,  -1.105)  (  0.011,  -0.061,  -1.105)  ( 0.00,  0.00,  0.00)
166: 31       ( -0.193,   0.021,   0.101)  ( -0.196,   0.016,   0.102)  ( 0.05,  0.01,  0.01)
166:     bond    ( -1.807,   1.366,   0.917)  ( -1.805,   1.368,   0.917)  ( 0.11,  0.09,  0.05)
166:     angle   (  0.005,   0.002,   0.007)  (  0.005,   0.002,   0.008)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  0.452,  -0.351,  -0.140)  (  0.452,  -0.351,  -0.140)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.111,  -0.144,  -0.004)  ( -0.110,  -0.143,  -0.004)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.028,   0.036,   0.000)  (  0.023,   0.030,   0.000)  ( 0.01,  0.02,  0.00)
166:     vdw     (  0.558,  -0.417,  -0.304)  (  0.558,  -0.417,  -0.304)  ( 0.00,  0.00,  0.00)
166:     electro (  0.682,  -0.472,  -0.376)  (  0.682,  -0.472,  -0.376)  ( 0.00,  0.00,  0.00)
166: 32       ( -0.425,  -0.505,  -0.048)  ( -0.365,  -0.520,  -0.079)  ( 2.55,  0.73,  0.15)
166:     bond    ( -5.280,  -7.572,  -4.556)  ( -5.277,  -7.567,  -4.554)  ( 0.05,  0.06,  0.04)
166:     angle   ( -0.110,   0.279,  -0.337)  ( -0.110,   0.279,  -0.337)  ( 0.00,  0.01,  0.02)
166:     strbnd  (  1.293,   1.229,   1.466)  (  1.293,   1.229,   1.466)  ( 0.00,  0.01,  0.01)
166:     torsion (  1.739,  -0.595,  -1.027)  (  1.739,  -0.595,  -1.027)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.260,   0.090,   0.151)  ( -0.202,   0.070,   0.118)  ( 1.49,  0.18,  0.50)
166:     vdw     (  4.932,   0.142,   8.178)  (  4.933,   0.142,   8.178)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.741,   5.922,  -3.924)  ( -2.741,   5.922,  -3.924)  ( 0.00,  0.00,  0.00)
166: 33       (  0.059,   0.082,  -0.083)  (  0.093,   0.076,  -0.098)  ( 0.20,  0.05,  0.12)
166:     bond    (  4.715,   4.557,   6.062)  (  4.716,   4.560,   6.065)  ( 0.02,  0.07,  0.06)
166:     angle   ( -7.689, -18.240,  -5.025)  ( -7.688, -18.238,  -5.024)  ( 0.01,  0.01,  0.01)
166:     strbnd  (  3.295,  -2.419,   7.181)  (  3.295,  -2.419,   7.181)  ( 0.00,  0.01,  0.00)
166:     torsion ( -1.716,   0.412,   0.834)  ( -1.716,   0.412,   0.834)  ( 0.01,  0.00,  0.00)
166:     oop     ( -0.210,   0.072,   0.121)  ( -0.178,   0.061,   0.103)  ( 0.68,  0.08,  0.23)
166:     vdw     (  1.937,  10.751,  -6.247)  (  1.938,  10.752,  -6.247)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.274,   4.948,  -3.009)  ( -0.274,   4.948,  -3.009)  ( 0.00,  0.00,  0.00)
166: 34       (  0.389,   0.093,   0.080)  (  0.395,   0.098,   0.086)  ( 0.24,  0.05,  0.05)
166:     bond    ( -0.334,  -4.761,   2.356)  ( -0.329,  -4.757,   2.361)  ( 0.15,  0.10,  0.19)
166:     angle   (  0.189,   3.946,   0.226)  (  0.190,   3.948,   0.228)  ( 0.03,  0.05,  0.04)
166:     strbnd  (  0.552,   0.973,   0.402)  (  0.551,   0.972,   0.402)  ( 0.02,  0.16,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bqf_ssm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bqm_bqm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bqn_bqn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bqr_4rb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3br0_mgr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3br9_dey.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bsa_1pd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bsc_2pd.sdf
166:     torsion (  1.469,  -0.111,  -0.152)  (  1.469,  -0.111,  -0.152)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.779,   1.527,  -7.078)  ( -3.779,   1.527,  -7.078)  ( 0.00,  0.00,  0.00)
166:     electro (  2.292,  -1.482,   4.326)  (  2.292,  -1.482,   4.326)  ( 0.00,  0.00,  0.00)
166: 35       (  0.303,   0.212,   0.053)  (  0.304,   0.213,   0.055)  ( 0.04,  0.01,  0.01)
166:     bond    (  0.249,   0.013,   0.448)  (  0.250,   0.013,   0.451)  ( 0.02,  0.00,  0.12)
166:     angle   (  0.291,   0.661,  -0.181)  (  0.291,   0.662,  -0.181)  ( 0.01,  0.04,  0.00)
166:     strbnd  ( -0.215,  -0.451,  -0.159)  ( -0.215,  -0.451,  -0.159)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.017,  -0.004,  -0.009)  (  0.017,  -0.004,  -0.009)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.039,  -0.007,  -0.046)  ( -0.039,  -0.007,  -0.046)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 36       (  0.432,   0.172,   0.118)  (  0.434,   0.174,   0.120)  ( 0.05,  0.03,  0.02)
166:     bond    (  0.425,  -0.592,  -0.547)  (  0.425,  -0.590,  -0.545)  ( 0.03,  0.08,  0.07)
166:     angle   (  1.840,  -0.935,   2.446)  (  1.841,  -0.935,   2.446)  ( 0.02,  0.03,  0.01)
166:     strbnd  (  0.155,  -0.679,  -0.026)  (  0.155,  -0.679,  -0.026)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.272,  -0.056,  -0.151)  ( -0.272,  -0.056,  -0.151)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.715,   2.434,  -1.604)  ( -1.715,   2.434,  -1.604)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 37       (  0.355,  -0.026,   0.062)  (  0.358,  -0.025,   0.062)  ( 0.11,  0.00,  0.00)
166:     bond    ( -0.517,  -0.155,   0.092)  ( -0.514,  -0.155,   0.092)  ( 0.16,  0.00,  0.00)
166:     angle   (  0.968,  -1.352,   3.151)  (  0.969,  -1.351,   3.152)  ( 0.01,  0.04,  0.01)
166:     strbnd  ( -0.412,  -0.566,   0.270)  ( -0.412,  -0.566,   0.270)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.011,  -0.098,  -0.229)  ( -0.011,  -0.098,  -0.229)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.326,   2.145,  -3.222)  (  0.326,   2.145,  -3.222)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: ok 26 # gradients 
166: ok 27 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3btj_deq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bto_ssb.sdf
170: ok 1 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (116.287,  -8.442, -22.838)  (115.961,  -8.715, -21.215)  ( 0.28,  3.23,  7.11)
170:     bond    ( 22.087,  34.962,  11.952)  ( 22.113,  34.988,  11.955)  ( 0.12,  0.08,  0.02)
170:     angle   (165.435, -77.004,  22.812)  (165.451, -76.990,  22.815)  ( 0.01,  0.02,  0.01)
170:     torsion (  9.259,   8.251, -38.340)  (  9.260,   8.252, -38.324)  ( 0.01,  0.01,  0.04)
170:     oop     (  2.175,   1.906,  -9.509)  (  1.805,   1.591,  -7.909)  (17.02, 16.54, 16.83)
170:     vdw     (-82.669,  23.444,  -9.752)  (-82.667,  23.444,  -9.753)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (-155.800, 150.666, 267.741)  (-154.650, 151.649, 263.333)  ( 0.74,  0.65,  1.65)
170:     bond    (  9.289,  69.441,  23.457)  (  9.318,  69.474,  23.461)  ( 0.31,  0.05,  0.02)
170:     angle   (-107.245, 105.199, 110.114)  (-107.231, 105.217, 110.118)  ( 0.01,  0.02,  0.00)
170:     torsion (-32.308, -13.312,  54.815)  (-32.307, -13.311,  54.830)  ( 0.00,  0.00,  0.03)
170:     oop     ( -6.535,  -5.596,  26.451)  ( -5.431,  -4.669,  22.019)  (16.90, 16.58, 16.75)
170:     vdw     (-19.000,  -5.065,  52.904)  (-19.000,  -5.063,  52.905)  ( 0.00,  0.04,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       (-57.832,  13.874, -100.971)  (-58.268,  13.545, -99.127)  ( 0.76,  2.38,  1.83)
170:     bond    (-38.862, -10.395, -15.474)  (-38.837, -10.368, -15.471)  ( 0.07,  0.26,  0.02)
170:     angle   (-109.964, -43.953, -25.984)  (-109.949, -43.939, -25.981)  ( 0.01,  0.03,  0.01)
170:     torsion ( 21.720,  18.174, -85.176)  ( 21.721,  18.175, -85.164)  ( 0.00,  0.00,  0.01)
170:     oop     (  2.730,   2.131, -10.332)  (  2.250,   1.759,  -8.506)  (17.57, 17.48, 17.67)
170:     vdw     ( 66.545,  47.917,  35.994)  ( 66.546,  47.918,  35.994)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       (184.459, -239.482, -29.973)  (184.508, -239.437, -29.957)  ( 0.03,  0.02,  0.06)
170:     bond    (-32.139,   7.417,  -7.582)  (-32.111,   7.449,  -7.577)  ( 0.09,  0.43,  0.06)
170:     angle   (144.581, -202.810, -20.798)  (144.599, -202.798, -20.794)  ( 0.01,  0.01,  0.02)
170:     torsion ( -1.634,  -4.597,  -9.079)  ( -1.633,  -4.596,  -9.069)  ( 0.06,  0.02,  0.11)
170:     oop     ( -0.003,  -0.005,   0.035)  ( -0.004,  -0.005,   0.033)  ( 0.00,  0.00,  0.01)
170:     vdw     ( 73.655, -39.487,   7.449)  ( 73.657, -39.486,   7.449)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (-72.114, 270.082, 106.351)  (-72.064, 270.118, 106.344)  ( 0.07,  0.01,  0.01)
170:     bond    ( 18.507,  66.722,  22.387)  ( 18.545,  66.737,  22.391)  ( 0.21,  0.02,  0.02)
170:     angle   (-58.001, 253.644,  45.410)  (-57.997, 253.659,  45.411)  ( 0.01,  0.01,  0.00)
170:     torsion (-14.088, -14.246,  55.093)  (-14.087, -14.246,  55.103)  ( 0.00,  0.01,  0.02)
170:     oop     ( -0.043,  -0.038,   0.154)  ( -0.037,  -0.032,   0.132)  ( 0.03,  0.02,  0.34)
170:     vdw     (-18.489, -36.000, -16.693)  (-18.488, -35.999, -16.693)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (-144.386, -274.299, -65.742)  (-144.318, -274.236, -65.806)  ( 0.05,  0.02,  0.10)
170:     bond    ( 24.508, -14.699,   2.276)  ( 24.539, -14.671,   2.278)  ( 0.13,  0.19,  0.12)
170:     angle   (-110.762, -191.038, -70.306)  (-110.747, -191.026, -70.305)  ( 0.01,  0.01,  0.00)
170:     torsion ( -6.352,  -6.639,  30.953)  ( -6.351,  -6.638,  30.969)  ( 0.01,  0.01,  0.05)
170:     oop     ( -0.117,  -0.124,   0.529)  ( -0.098,  -0.104,   0.445)  ( 0.22,  0.25,  4.46)
170:     vdw     (-51.662, -61.799, -29.194)  (-51.661, -61.798, -29.193)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       (122.317, 204.297,  91.404)  (122.354, 204.333,  91.400)  ( 0.03,  0.02,  0.00)
170:     bond    (-59.287,  40.804, -39.722)  (-59.267,  40.822, -39.705)  ( 0.03,  0.04,  0.04)
170:     angle   (169.152, 160.163, 141.143)  (169.162, 160.174, 141.153)  ( 0.01,  0.01,  0.01)
170:     torsion ( 11.730,  31.489,  -2.761)  ( 11.730,  31.488,  -2.760)  ( 0.00,  0.00,  0.02)
170:     oop     ( -0.052,  -0.048,   0.202)  ( -0.044,  -0.041,   0.170)  ( 0.04,  0.04,  0.63)
170:     vdw     (  0.773, -28.111,  -7.459)  (  0.773, -28.110,  -7.459)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (203.160, -45.288, -431.202)  (202.847, -45.562, -429.849)  ( 0.15,  0.61,  0.31)
170:     bond    ( 95.715,  18.633, -250.426)  ( 95.719,  18.665, -250.410)  ( 0.00,  0.17,  0.01)
170:     angle   (101.532, -91.827, -165.456)  (101.541, -91.824, -165.450)  ( 0.01,  0.00,  0.00)
170:     torsion ( 13.941,   3.202,  -5.164)  ( 13.941,   3.202,  -5.161)  ( 0.00,  0.01,  0.05)
170:     oop     (  2.059,   1.964,  -8.438)  (  1.732,   1.654,  -7.110)  (15.90, 15.77, 15.74)
170:     vdw     (-10.088,  22.740,  -1.718)  (-10.086,  22.741,  -1.718)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (-119.586,  -4.170, 306.701)  (-119.558,  -4.136, 306.738)  ( 0.02,  0.82,  0.01)
170:     bond    (-74.362, -193.521, 251.137)  (-74.343, -193.499, 251.163)  ( 0.03,  0.01,  0.01)
170:     angle   (-42.941, 160.865,  63.012)  (-42.932, 160.877,  63.023)  ( 0.02,  0.01,  0.02)
170:     torsion (  3.312,   2.617,   2.887)  (  3.313,   2.617,   2.887)  ( 0.01,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -5.595,  25.869, -10.335)  ( -5.595,  25.869, -10.335)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       (  1.128, -17.670,   8.275)  (  1.188, -17.614,   8.174)  ( 5.31,  0.31,  1.23)
170:     bond    (-74.691, -54.906, -31.978)  (-74.672, -54.888, -31.960)  ( 0.03,  0.03,  0.06)
170:     angle   ( 57.560,  23.646,  21.495)  ( 57.570,  23.656,  21.502)  ( 0.02,  0.04,  0.03)
170:     torsion ( -0.752,  -2.541,   6.822)  ( -0.753,  -2.542,   6.822)  ( 0.05,  0.04,  0.01)
170:     oop     ( -0.164,  -0.141,   0.673)  ( -0.133,  -0.114,   0.545)  ( 0.51,  0.38,  8.62)
170:     vdw     ( 19.175,  16.273,  11.263)  ( 19.176,  16.274,  11.263)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       (  7.300, -10.594,  -0.715)  (  7.342, -10.551,  -0.744)  ( 0.59,  0.40,  2.08)
170:     bond    ( 70.242, -27.806,  10.923)  ( 70.262, -27.788,  10.941)  ( 0.03,  0.06,  0.17)
170:     angle   (-42.172,  23.429,  -1.074)  (-42.163,  23.439,  -1.067)  ( 0.02,  0.04,  0.67)
170:     torsion (  0.776,   0.111,  -5.336)  (  0.776,   0.112,  -5.332)  ( 0.02,  0.01,  0.06)
170:     oop     ( -0.068,  -0.069,   0.306)  ( -0.055,  -0.056,   0.248)  ( 0.09,  0.09,  1.78)
170:     vdw     (-21.478,  -6.259,  -5.534)  (-21.477,  -6.258,  -5.534)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (-347.962, -83.970, -34.862)  (-347.919, -83.904, -34.737)  ( 0.01,  0.08,  0.36)
170:     bond    (-95.159,  57.313, -18.541)  (-95.123,  57.343, -18.539)  ( 0.04,  0.05,  0.01)
170:     angle   (-217.544, -227.821,   8.524)  (-217.526, -227.800,   8.524)  ( 0.01,  0.01,  0.00)
170:     torsion (  0.732,  -1.049,  -7.161)  (  0.733,  -1.048,  -7.131)  ( 0.03,  0.07,  0.43)
170:     oop     (  0.065,  -0.091,  -0.610)  (  0.054,  -0.078,  -0.517)  ( 0.07,  0.12,  5.67)
170:     vdw     (-36.057,  87.678, -17.073)  (-36.056,  87.680, -17.073)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (-47.159,   1.404,  -6.248)  (-47.121,   1.446,  -6.216)  ( 0.08,  2.99,  0.52)
170:     bond    (  4.431, -78.812,  12.662)  (  4.458, -78.785,  12.664)  ( 0.61,  0.03,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bvt_wz1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bvu_wz2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bvv_wz3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bvw_wz4.sdf
170:     angle   (-82.462,  46.267, -15.546)  (-82.451,  46.280, -15.546)  ( 0.01,  0.03,  0.00)
170:     torsion (  0.144,  -0.241,  -1.412)  (  0.144,  -0.240,  -1.388)  ( 0.00,  0.01,  1.66)
170:     oop     ( -0.002,   0.003,   0.018)  ( -0.003,   0.004,   0.025)  ( 0.00,  0.00,  0.01)
170:     vdw     ( 30.730,  34.187,  -1.971)  ( 30.731,  34.188,  -1.971)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       ( 96.852,   4.630,   8.342)  ( 96.892,   4.670,   8.379)  ( 0.04,  0.87,  0.43)
170:     bond    (-81.099, -19.893,  -5.762)  (-81.075, -19.864,  -5.760)  ( 0.03,  0.15,  0.03)
170:     angle   ( 84.801,  33.466,   4.032)  ( 84.815,  33.475,   4.033)  ( 0.02,  0.03,  0.01)
170:     torsion (  0.104,  -0.149,  -0.999)  (  0.104,  -0.149,  -0.979)  ( 0.00,  0.01,  2.05)
170:     oop     (  0.008,  -0.012,  -0.078)  (  0.007,  -0.010,  -0.064)  ( 0.00,  0.00,  0.10)
170:     vdw     ( 93.038,  -8.781,  11.149)  ( 93.040,  -8.782,  11.149)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       ( 24.690, -95.271,  15.467)  ( 24.730, -95.231,  15.482)  ( 0.16,  0.04,  0.10)
170:     bond    ( -7.132,  82.507, -13.213)  ( -7.103,  82.532, -13.212)  ( 0.40,  0.03,  0.01)
170:     angle   ( -4.266, -90.118,  13.138)  ( -4.256, -90.105,  13.138)  ( 0.23,  0.01,  0.00)
170:     torsion (  0.185,  -0.262,  -1.771)  (  0.185,  -0.261,  -1.751)  ( 0.00,  0.01,  1.16)
170:     oop     ( -0.005,   0.007,   0.047)  ( -0.004,   0.006,   0.039)  ( 0.00,  0.00,  0.04)
170:     vdw     ( 35.908, -87.405,  17.267)  ( 35.909, -87.403,  17.267)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       (-14.226,  47.407,  -7.376)  (-14.186,  47.450,  -7.339)  ( 0.27,  0.09,  0.50)
170:     bond    ( 79.107,  23.236,   4.878)  ( 79.134,  23.262,   4.880)  ( 0.03,  0.11,  0.03)
170:     angle   (-66.419,  62.051, -14.039)  (-66.406,  62.063, -14.039)  ( 0.02,  0.02,  0.00)
170:     torsion (  0.056,  -0.204,  -1.211)  (  0.056,  -0.203,  -1.189)  ( 0.00,  0.01,  1.85)
170:     oop     ( -0.002,   0.001,   0.008)  ( -0.003,   0.003,   0.021)  ( 0.00,  0.00,  0.01)
170:     vdw     (-26.968, -37.677,   2.988)  (-26.968, -37.676,   2.988)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       (-39.515, 382.680, -63.790)  (-39.454, 382.721, -63.819)  ( 0.16,  0.01,  0.04)
170:     bond    (-133.796,  87.788, -25.421)  (-133.762,  87.821, -25.419)  ( 0.03,  0.04,  0.01)
170:     angle   (188.007, 285.937, -24.977)  (188.027, 285.953, -24.977)  ( 0.01,  0.01,  0.00)
170:     torsion (  0.382,  -0.385,  -2.583)  (  0.383,  -0.384,  -2.558)  ( 0.01,  0.02,  0.99)
170:     oop     ( -0.021,   0.035,   0.233)  ( -0.016,   0.027,   0.176)  ( 0.01,  0.03,  1.31)
170:     vdw     (-94.088,   9.305, -11.042)  (-94.085,   9.305, -11.042)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       (212.966, -78.853,  86.599)  (213.063, -78.852,  86.189)  ( 0.05,  0.00,  0.47)
170:     bond    ( 32.722, -204.290,  33.509)  ( 32.759, -204.250,  33.510)  ( 0.11,  0.02,  0.00)
170:     angle   (159.584, 163.634, -10.633)  (159.597, 163.653, -10.632)  ( 0.01,  0.01,  0.01)
170:     torsion ( -5.949,   8.499,  59.353)  ( -5.949,   8.500,  59.376)  ( 0.00,  0.01,  0.04)
170:     oop     ( -0.214,   0.297,   2.136)  ( -0.168,   0.239,   1.700)  ( 0.99,  1.74, 20.41)
170:     vdw     ( 26.823, -46.995,   2.235)  ( 26.824, -46.994,   2.235)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       (1019.396, 300.440,  81.714)  (1019.454, 300.455,  81.497)  ( 0.01,  0.00,  0.27)
170:     bond    (111.633,   0.358,   7.479)  (111.661,   0.396,   7.479)  ( 0.03,  1.35,  0.00)
170:     angle   (888.998, 300.890,  82.517)  (889.014, 300.903,  82.518)  ( 0.00,  0.00,  0.00)
170:     torsion ( -0.754,   0.132,   4.980)  ( -0.754,   0.133,   4.992)  ( 0.00,  0.00,  0.25)
170:     oop     ( -0.014,   0.046,   0.300)  ( -0.002,   0.010,   0.069)  ( 0.02,  0.17,  6.96)
170:     vdw     ( 19.534,  -0.986, -13.562)  ( 19.534,  -0.986, -13.562)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       (-388.615, -447.620,  27.265)  (-388.593, -447.552,  27.475)  ( 0.01,  0.02,  0.77)
170:     bond    (187.005, -176.800,  44.071)  (187.029, -176.769,  44.073)  ( 0.01,  0.02,  0.00)
170:     angle   (-578.131, -267.848,  -1.152)  (-578.119, -267.841,  -1.153)  ( 0.00,  0.00,  0.03)
170:     torsion (  0.858,  -2.027, -13.278)  (  0.858,  -2.026, -13.269)  ( 0.01,  0.01,  0.06)
170:     oop     (  0.040,  -0.081,  -0.537)  (  0.027,  -0.051,  -0.337)  ( 0.05,  0.25, 10.76)
170:     vdw     (  1.612,  -0.864,  -1.840)  (  1.612,  -0.864,  -1.840)  ( 0.01,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       (-794.623, -314.468, -466.439)  (-794.605, -314.423, -466.288)  ( 0.00,  0.01,  0.03)
170:     bond    (-161.101,   6.643, -48.436)  (-161.085,   6.666, -48.428)  ( 0.01,  0.34,  0.02)
170:     angle   (-581.286, -318.955, -397.058)  (-581.278, -318.953, -397.054)  ( 0.00,  0.00,  0.00)
170:     torsion (  3.410,  -0.722, -12.178)  (  3.410,  -0.722, -12.176)  ( 0.00,  0.01,  0.02)
170:     oop     (  0.022,  -0.047,  -0.324)  (  0.014,  -0.027,  -0.187)  ( 0.02,  0.10,  4.46)
170:     vdw     (-55.668,  -1.388,  -8.443)  (-55.666,  -1.388,  -8.443)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       (-105.736, 234.763, 265.708)  (-105.719, 234.782, 265.709)  ( 0.02,  0.01,  0.00)
170:     bond    ( 86.180, 110.253,  19.659)  ( 86.189, 110.267,  19.659)  ( 0.01,  0.01,  0.00)
170:     angle   ( 55.099, -87.896, 251.431)  ( 55.101, -87.895, 251.433)  ( 0.00,  0.00,  0.00)
170:     torsion ( -1.509,   0.859,   1.795)  ( -1.509,   0.859,   1.795)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-245.506, 211.547,  -7.177)  (-245.500, 211.551,  -7.178)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       (-22.924,  48.489,   2.238)  (-22.916,  48.496,   2.254)  ( 0.03,  0.01,  0.74)
170:     bond    ( 13.208,  12.111,   5.841)  ( 13.216,  12.117,   5.843)  ( 0.06,  0.05,  0.03)
170:     angle   (-43.891,  47.393,   0.985)  (-43.889,  47.395,   0.985)  ( 0.01,  0.00,  0.01)
170:     torsion (  0.664,   0.643,  -2.841)  (  0.664,   0.644,  -2.838)  ( 0.01,  0.01,  0.12)
170:     oop     (  0.018,   0.019,  -0.080)  (  0.016,   0.016,  -0.069)  ( 0.00,  0.01,  0.09)
170:     vdw     (  7.076, -11.676,  -1.667)  (  7.077, -11.676,  -1.667)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       ( -7.837, -44.589,   4.424)  ( -7.833, -44.576,   4.426)  ( 0.06,  0.03,  0.05)
170:     bond    ( -6.253, -34.723,   4.129)  ( -6.253, -34.710,   4.129)  ( 0.00,  0.04,  0.00)
170:     angle   ( -4.590,   0.221,  -5.090)  ( -4.587,   0.221,  -5.088)  ( 0.07,  0.00,  0.05)
170:     torsion (  0.281,  -1.964, -16.082)  (  0.280,  -1.964, -16.083)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  2.725,  -8.123,  21.468)  (  2.726,  -8.123,  21.468)  ( 0.04,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 25       (  6.785, -15.171,  48.550)  (  6.791, -15.167,  48.560)  ( 0.08,  0.03,  0.02)
170:     bond    ( 22.381,  13.458,  37.096)  ( 22.384,  13.459,  37.105)  ( 0.01,  0.01,  0.02)
170:     angle   (-15.995,  32.011,  -1.965)  (-15.993,  32.013,  -1.964)  ( 0.01,  0.01,  0.04)
170:     torsion ( -6.680, -21.602,  11.866)  ( -6.681, -21.603,  11.866)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  7.079, -39.037,   1.553)  (  7.080, -39.036,   1.553)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
166:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
166:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
166:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
166:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
166:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
166:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
166:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
166:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
166:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
166:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
166:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
166:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
166:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
166:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
166:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
166:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
166:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
166:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
166:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
166:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
166:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
166:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
166:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
166:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
166:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
166:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
166:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
166:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
166:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
166:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
166:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
166:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
166:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
166:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
166:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
166:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
166:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
166:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
166:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
166:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
166:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
166:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
166:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
166:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
166:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
166:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
166:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
166:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
166:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
166:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
166:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
166:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
166:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
166:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
166:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
166:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
166:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
166:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
166:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
166:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
166:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
166: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
166:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
166:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
166:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
166:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
166:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
166: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
166:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
166:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
166:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
166:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
166:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
166:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
166: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bvx_wz5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bxg_bg6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bym_am0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3byo_am9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bys_am5.sdf
170: 26       ( 21.953, -18.144, -48.857)  ( 21.956, -18.136, -48.846)  ( 0.01,  0.04,  0.02)
170:     bond    (  8.565, -18.256, -28.608)  (  8.566, -18.252, -28.599)  ( 0.01,  0.02,  0.03)
170:     angle   ( -5.074, -43.418,  26.189)  ( -5.072, -43.416,  26.189)  ( 0.03,  0.01,  0.00)
170:     torsion (  9.100,  -0.002,   2.727)  (  9.100,  -0.002,   2.727)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  9.362,  43.533, -49.165)  (  9.362,  43.534, -49.164)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 27       (-32.837,  20.876, -23.101)  (-32.827,  20.882, -23.098)  ( 0.03,  0.03,  0.02)
170:     bond    (-33.689,  24.661,  -9.207)  (-33.681,  24.666,  -9.207)  ( 0.03,  0.02,  0.00)
170:     angle   (  4.466,   3.179,  -7.826)  (  4.467,   3.180,  -7.823)  ( 0.03,  0.05,  0.04)
170:     torsion ( -3.400,  -6.881,  -5.998)  ( -3.400,  -6.881,  -5.998)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.214,  -0.083,  -0.070)  ( -0.214,  -0.083,  -0.070)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 28       ( 29.459,  32.359,   5.387)  ( 29.468,  32.365,   5.391)  ( 0.03,  0.02,  0.08)
170:     bond    ( 32.279,  25.004,  10.637)  ( 32.287,  25.009,  10.638)  ( 0.02,  0.02,  0.01)
170:     angle   (  2.262,  -0.130,  -6.570)  (  2.263,  -0.129,  -6.566)  ( 0.04,  0.02,  0.05)
170:     torsion ( -4.847,   5.257,   2.351)  ( -4.847,   5.257,   2.351)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.236,   2.228,  -1.031)  ( -0.236,   2.228,  -1.031)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 29       ( 23.800,  -9.730,  23.722)  ( 23.807,  -9.723,  23.727)  ( 0.03,  0.07,  0.02)
170:     bond    ( 31.491, -22.473,  25.990)  ( 31.497, -22.470,  25.994)  ( 0.02,  0.01,  0.02)
170:     angle   (-10.048, -31.603, -15.144)  (-10.047, -31.601, -15.143)  ( 0.01,  0.01,  0.01)
170:     torsion ( -0.676,   0.286,   1.067)  ( -0.676,   0.286,   1.066)  ( 0.01,  0.00,  0.05)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  3.033,  44.061,  11.809)  (  3.033,  44.062,  11.809)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 30       ( 15.633,  15.357, -37.055)  ( 15.637,  15.361, -37.045)  ( 0.03,  0.02,  0.03)
170:     bond    ( 19.159,  16.724, -32.895)  ( 19.161,  16.726, -32.887)  ( 0.01,  0.01,  0.03)
170:     angle   ( -3.819,  -4.250,  -4.386)  ( -3.817,  -4.248,  -4.385)  ( 0.05,  0.04,  0.03)
170:     torsion ( -1.276,   1.541,   0.040)  ( -1.276,   1.540,   0.040)  ( 0.02,  0.03,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  1.569,   1.342,   0.187)  (  1.569,   1.342,   0.187)  ( 0.01,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 31       (-19.753,  28.914,  24.017)  (-19.748,  28.922,  24.022)  ( 0.02,  0.03,  0.02)
170:     bond    (-13.995,  29.540,  23.071)  (-13.993,  29.547,  23.075)  ( 0.01,  0.03,  0.02)
170:     angle   (-27.081,  -2.299, -13.480)  (-27.079,  -2.298, -13.479)  ( 0.01,  0.04,  0.01)
170:     torsion (  0.414,  -1.810,   2.570)  (  0.414,  -1.810,   2.569)  ( 0.00,  0.01,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 20.909,   3.483,  11.857)  ( 20.910,   3.483,  11.857)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 32       (-22.297, -33.757, -28.551)  (-22.289, -33.748, -28.549)  ( 0.03,  0.03,  0.01)
170:     bond    (-25.733, -29.234,  -5.362)  (-25.727, -29.226,  -5.362)  ( 0.02,  0.03,  0.00)
170:     angle   ( 19.085, -16.487,  -1.723)  ( 19.086, -16.485,  -1.721)  ( 0.01,  0.01,  0.11)
170:     torsion (  3.333,   1.004, -21.468)  (  3.333,   1.004, -21.468)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-18.982,  10.960,   0.002)  (-18.982,  10.960,   0.002)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 33       (-12.011,   7.338,  43.758)  (-12.007,   7.343,  43.768)  ( 0.03,  0.07,  0.02)
170:     bond    (-11.801,  20.330,  32.128)  (-11.800,  20.334,  32.137)  ( 0.01,  0.02,  0.03)
170:     angle   ( 16.633,   4.884,   3.016)  ( 16.635,   4.886,   3.016)  ( 0.01,  0.03,  0.03)
170:     torsion ( -7.580, -17.156,   8.071)  ( -7.580, -17.155,   8.072)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -9.262,  -0.721,   0.543)  ( -9.262,  -0.721,   0.543)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 34       ( 11.313,  44.694, -21.813)  ( 11.315,  44.701, -21.804)  ( 0.02,  0.01,  0.04)
170:     bond    ( -1.579,  24.927, -33.437)  ( -1.579,  24.932, -33.428)  ( 0.01,  0.02,  0.03)
170:     angle   ( 11.630,   2.486,   1.305)  ( 11.633,   2.487,   1.306)  ( 0.02,  0.05,  0.05)
170:     torsion (  4.701,  17.021,  12.473)  (  4.701,  17.021,  12.473)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.440,   0.260,  -2.154)  ( -3.440,   0.260,  -2.154)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 35       ( -0.828,  -5.232,  -0.655)  ( -0.821,  -5.219,  -0.641)  ( 0.59,  0.24,  0.91)
170:     bond    ( -3.744,  -5.083,   0.375)  ( -3.739,  -5.074,   0.375)  ( 0.14,  0.19,  0.00)
170:     angle   (  2.261,  -1.631,   0.531)  (  2.264,  -1.629,   0.531)  ( 0.12,  0.08,  0.00)
170:     torsion (  0.141,  -0.201,  -1.325)  (  0.141,  -0.201,  -1.320)  ( 0.00,  0.00,  0.39)
170:     oop     (  0.005,  -0.007,  -0.043)  (  0.004,  -0.005,  -0.034)  ( 0.00,  0.00,  0.04)
170:     vdw     (  0.510,   1.690,  -0.193)  (  0.510,   1.690,  -0.193)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 36       (-26.249,   5.898,  -5.175)  (-26.234,   5.903,  -5.171)  ( 0.06,  0.07,  0.08)
170:     bond    (-29.191,   3.711,  -3.730)  (-29.177,   3.711,  -3.730)  ( 0.05,  0.01,  0.01)
170:     angle   (  0.259,   1.789,  -0.245)  (  0.259,   1.793,  -0.245)  ( 0.00,  0.22,  0.00)
170:     torsion (  0.150,  -0.213,  -1.393)  (  0.150,  -0.213,  -1.388)  ( 0.00,  0.00,  0.34)
170:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.006)  ( 0.00,  0.00,  0.00)
170:     vdw     (  2.534,   0.611,   0.186)  (  2.534,   0.612,   0.186)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 37       (-14.760,  22.916,  -4.947)  (-14.755,  22.930,  -4.936)  ( 0.04,  0.06,  0.22)
170:     bond    (-12.077,  26.778,  -5.388)  (-12.074,  26.791,  -5.387)  ( 0.02,  0.05,  0.01)
170:     angle   ( -2.847,  -1.306,  -0.117)  ( -2.843,  -1.305,  -0.117)  ( 0.12,  0.05,  0.00)
170:     torsion ( -0.021,   0.028,   0.184)  ( -0.021,   0.028,   0.189)  ( 0.00,  0.00,  0.09)
170:     oop     (  0.004,  -0.005,  -0.036)  (  0.003,  -0.005,  -0.030)  ( 0.00,  0.00,  0.02)
170:     vdw     (  0.181,  -2.579,   0.409)  (  0.181,  -2.579,   0.409)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 38       (  1.676,   4.570,   2.504)  (  1.683,   4.583,   2.523)  ( 0.40,  0.29,  0.76)
170:     bond    (  3.709,   4.859,  -0.358)  (  3.715,   4.869,  -0.358)  ( 0.15,  0.19,  0.00)
170:     angle   ( -0.235,   0.177,   0.010)  ( -0.232,   0.178,   0.010)  ( 0.06,  0.02,  0.00)
170:     torsion ( -0.300,   0.446,   2.942)  ( -0.300,   0.446,   2.947)  ( 0.00,  0.01,  0.18)
170:     oop     (  0.007,  -0.011,  -0.070)  (  0.006,  -0.009,  -0.056)  ( 0.00,  0.00,  0.10)
170:     vdw     ( -1.505,  -0.901,  -0.020)  ( -1.505,  -0.901,  -0.020)  ( 0.01,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3byu_am6.sdf
166:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
166:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
166:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
166:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
166:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
166:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
166: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
166:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
166:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
166:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
166:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
166: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
166:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
166:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
166:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
166:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
166: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
166:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
166:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
166:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
166:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
166:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
166:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
166: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
166:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
166:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
166:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
166:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
166:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
166: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
166:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
166:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
166:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
166:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
166:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
166: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
166:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
166:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
166:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
166:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
166:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
166:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
166: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
166:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
166:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
166:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
166:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
166:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
166: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
166:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
166:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
166:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
166:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
166:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
166:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
166:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
166: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
166:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
166:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
166:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
166:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
166:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
166:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
166: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
166:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
166:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
166:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
166:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
166:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
166: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
166:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3byx_c00.sdf
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 39       (346.901, -95.929, -20.455)  (346.888, -95.873, -20.204)  ( 0.00,  0.06,  1.23)
170:     bond    ( 22.848,  82.013,  -8.313)  ( 22.850,  82.033,  -8.313)  ( 0.01,  0.02,  0.00)
170:     angle   ( 43.123, -11.220,   7.821)  ( 43.127, -11.220,   7.821)  ( 0.01,  0.00,  0.00)
170:     torsion (  2.724,  -3.366, -25.736)  (  2.724,  -3.366, -25.730)  ( 0.00,  0.00,  0.02)
170:     oop     (  0.108,  -0.137,  -1.058)  (  0.082,  -0.105,  -0.811)  ( 0.28,  0.44, 23.28)
170:     vdw     (278.098, -163.217,   6.830)  (278.106, -163.215,   6.829)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 2 # gradients 
170: ok 3 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (  1.733,  15.535,  -2.708)  (  1.768,  15.569,  -2.688)  ( 2.02,  0.22,  0.73)
170:     bond    ( 36.601,  -0.298,   9.660)  ( 36.629,  -0.276,   9.662)  ( 0.08,  0.65,  0.02)
170:     angle   (-34.951,  16.312,  -8.707)  (-34.945,  16.324,  -8.707)  ( 0.02,  0.07,  0.00)
170:     torsion (  0.899,   0.109,  -3.428)  (  0.900,   0.109,  -3.411)  ( 0.10,  0.00,  0.49)
170:     oop     ( -0.001,  -0.000,   0.001)  ( -0.000,  -0.000,   0.002)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.816,  -0.587,  -0.234)  ( -0.816,  -0.587,  -0.234)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (151.770, -56.591, -673.348)  (153.483, -56.550, -652.718)  ( 1.13,  0.07,  3.06)
170:     bond    (-73.273, -40.784, -20.641)  (-73.245, -40.761, -20.639)  ( 0.04,  0.06,  0.01)
170:     angle   ( 49.771, -31.536,  12.075)  ( 49.779, -31.523,  12.077)  ( 0.02,  0.04,  0.02)
170:     torsion (175.271,  15.729, -664.778)  (176.947,  15.734, -644.154)  ( 0.96,  0.03,  3.10)
170:     oop     (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       ( 11.806,  -5.798,   2.973)  ( 11.813,  -5.787,   2.977)  ( 0.06,  0.19,  0.14)
170:     bond    (  2.228,   3.391,   0.698)  (  2.233,   3.401,   0.698)  ( 0.20,  0.30,  0.03)
170:     angle   ( 13.563,  -9.579,   3.275)  ( 13.565,  -9.578,   3.275)  ( 0.02,  0.01,  0.00)
170:     torsion ( -0.011,  -0.001,   0.038)  ( -0.011,  -0.001,   0.041)  ( 0.00,  0.00,  0.01)
170:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.974,   0.392,  -1.037)  ( -3.974,   0.392,  -1.037)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       ( 14.242,   5.943,   3.893)  ( 14.248,   5.955,   3.897)  ( 0.04,  0.21,  0.10)
170:     bond    (  3.136,  -6.002,   0.637)  (  3.139,  -5.991,   0.637)  ( 0.10,  0.19,  0.01)
170:     angle   ( 22.453,  12.440,   6.327)  ( 22.455,  12.441,   6.327)  ( 0.01,  0.01,  0.00)
170:     torsion (  0.013,   0.002,  -0.055)  (  0.014,   0.002,  -0.052)  ( 0.00,  0.00,  0.02)
170:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-11.361,  -0.496,  -3.015)  (-11.361,  -0.496,  -3.015)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (-17.209, -11.517,  -0.591)  (-17.203, -11.504,  -0.586)  ( 0.04,  0.11,  0.32)
170:     bond    (  0.266,  -0.558,   0.053)  (  0.269,  -0.546,   0.054)  ( 0.08,  0.66,  0.00)
170:     angle   (-20.390, -10.603,  -5.721)  (-20.387, -10.602,  -5.720)  ( 0.01,  0.01,  0.00)
170:     torsion ( -1.066,  -0.129,   4.031)  ( -1.065,  -0.129,   4.036)  ( 0.03,  0.00,  0.13)
170:     oop     ( -0.000,  -0.000,   0.001)  ( -0.000,  -0.000,   0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     (  3.981,  -0.227,   1.044)  (  3.981,  -0.227,   1.044)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (-372.179,  47.701, 1341.442)  (-363.825,  47.767, 1443.549)  ( 2.24,  0.14,  7.61)
170:     bond    ( 44.275,  62.791,  13.700)  ( 44.295,  62.831,  13.702)  ( 0.04,  0.06,  0.01)
170:     angle   (-26.067,  19.537,  -6.133)  (-26.059,  19.542,  -6.123)  ( 0.03,  0.02,  0.15)
170:     torsion (-401.951, -35.014, 1330.809)  (-393.626, -34.991, 1432.904)  ( 2.07,  0.07,  7.67)
170:     oop     ( -0.000,  -0.000,   0.001)  ( -0.000,  -0.000,   0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 11.565,   0.386,   3.065)  ( 11.565,   0.386,   3.065)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       (197.185,   4.513, -825.382)  (199.717,   4.550, -794.431)  ( 1.28,  0.80,  3.75)
170:     bond    (-13.334, -18.685,  -4.116)  (-13.320, -18.657,  -4.115)  ( 0.11,  0.15,  0.04)
170:     angle   ( -4.410,   3.395,  -1.131)  ( -4.408,   3.396,  -1.128)  ( 0.04,  0.03,  0.25)
170:     torsion (214.325,  19.270, -820.312)  (216.841,  19.277, -789.365)  ( 1.17,  0.04,  3.77)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.604,   0.534,   0.177)  (  0.604,   0.534,   0.177)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 4 # gradients 
170: ok 5 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       ( 40.034,  81.741, -137.730)  ( 40.064,  81.759, -137.705)  ( 0.07,  0.02,  0.02)
170:     bond    ( 80.618,   6.003, -10.147)  ( 80.638,   6.021, -10.129)  ( 0.02,  0.30,  0.18)
170:     angle   (-26.047,  65.441, -112.824)  (-26.038,  65.449, -112.813)  ( 0.04,  0.01,  0.01)
170:     torsion ( -0.314,   2.650,  -1.502)  ( -0.314,   2.652,  -1.500)  ( 0.00,  0.10,  0.13)
170:     oop     ( -0.000,   0.071,   0.042)  ( -0.000,   0.060,   0.035)  ( 0.00,  0.08,  0.03)
170:     vdw     (-14.222,   7.576, -13.299)  (-14.222,   7.576, -13.299)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (-77.104, -139.691, 232.139)  (-77.049, -139.571, 232.243)  ( 0.07,  0.09,  0.04)
170:     bond    ( 24.274, -26.329,  45.326)  ( 24.304, -26.317,  45.362)  ( 0.12,  0.05,  0.08)
170:     angle   (-101.417, -109.290, 188.550)  (-101.392, -109.285, 188.561)  ( 0.02,  0.00,  0.01)
170:     torsion (  0.039,  -3.547,  -1.434)  (  0.039,  -3.539,  -1.431)  ( 0.00,  0.23,  0.20)
170:     oop     ( -0.000,  -0.525,  -0.303)  ( -0.000,  -0.430,  -0.249)  ( 0.00,  5.00,  1.64)
170:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       (-31.877,  -2.025,   1.109)  (-31.862,  -2.034,   1.121)  ( 0.05,  0.45,  1.05)
170:     bond    (-14.354, -14.094,  24.209)  (-14.347, -14.088,  24.229)  ( 0.05,  0.05,  0.08)
170:     angle   (-20.650,   5.239,  -9.179)  (-20.642,   5.239,  -9.177)  ( 0.04,  0.01,  0.02)
170:     torsion (  0.001,  -1.001,  -0.581)  (  0.001,  -0.999,  -0.580)  ( 0.00,  0.22,  0.04)
170:     oop     ( -0.000,   0.093,   0.054)  ( -0.000,   0.075,   0.043)  ( 0.00,  0.17,  0.06)
170:     vdw     (  3.126,   7.739, -13.395)  (  3.126,   7.739, -13.395)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       ( 95.636, 128.805, -196.780)  ( 95.687, 128.644, -196.844)  ( 0.05,  0.13,  0.03)
170:     bond    (-89.693,  75.277, -132.994)  (-89.659,  75.286, -132.965)  ( 0.04,  0.01,  0.02)
170:     angle   (173.432,  42.177, -72.645)  (173.448,  42.180, -72.637)  ( 0.01,  0.01,  0.01)
170:     torsion (  0.082,  11.261,   6.468)  (  0.082,  11.270,   6.471)  ( 0.00,  0.08,  0.05)
170:     oop     ( -0.002,   1.098,   0.628)  ( -0.002,   0.916,   0.524)  ( 0.00, 16.58,  6.55)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3byz_h11.sdf
170:     vdw     ( 11.817,  -1.008,   1.764)  ( 11.817,  -1.008,   1.764)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (-61.047, -45.589,  66.224)  (-61.039, -45.512,  66.279)  ( 0.01,  0.17,  0.08)
170:     bond    (-38.907, -40.200,  71.261)  (-38.903, -40.195,  71.275)  ( 0.01,  0.01,  0.02)
170:     angle   (-37.911,   9.172, -15.518)  (-37.907,   9.172, -15.518)  ( 0.01,  0.00,  0.00)
170:     torsion ( -0.075,  -6.078,  -3.468)  ( -0.075,  -6.075,  -3.467)  ( 0.00,  0.04,  0.02)
170:     oop     ( -0.001,  -0.383,  -0.216)  ( -0.000,  -0.313,  -0.177)  ( 0.00,  2.70,  0.86)
170:     vdw     ( 15.846,  -8.100,  14.165)  ( 15.846,  -8.100,  14.166)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       ( 90.579, -16.110,  22.603)  ( 90.602, -16.055,  22.637)  ( 0.03,  0.34,  0.15)
170:     bond    ( 82.156,   3.085,  -4.208)  ( 82.179,   3.085,  -4.208)  ( 0.03,  0.01,  0.01)
170:     angle   (  1.185,  -9.564,  16.125)  (  1.185,  -9.562,  16.129)  ( 0.00,  0.01,  0.02)
170:     torsion (  0.017,  -2.241,  -1.310)  (  0.017,  -2.239,  -1.309)  ( 0.00,  0.08,  0.05)
170:     oop     (  0.003,  -0.360,  -0.206)  (  0.003,  -0.308,  -0.176)  ( 0.00,  1.90,  0.62)
170:     vdw     (  7.218,  -7.031,  12.201)  (  7.218,  -7.031,  12.201)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       (-15.415, -45.825,   3.849)  (-15.412, -45.812,   3.852)  ( 0.02,  0.03,  0.06)
170:     bond    (-12.697, -43.343,   0.901)  (-12.696, -43.331,   0.901)  ( 0.01,  0.03,  0.02)
170:     angle   (  3.867,  -1.050,   4.033)  (  3.869,  -1.050,   4.035)  ( 0.07,  0.02,  0.05)
170:     torsion (  0.147,  -0.013,   1.444)  (  0.147,  -0.013,   1.445)  ( 0.00,  0.00,  0.05)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -6.732,  -1.418,  -2.528)  ( -6.732,  -1.418,  -2.528)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (-15.654,  19.646,  41.522)  (-15.650,  19.651,  41.533)  ( 0.02,  0.02,  0.03)
170:     bond    (-12.853,  20.568,  38.148)  (-12.852,  20.570,  38.158)  ( 0.01,  0.01,  0.03)
170:     angle   (  3.943,  -2.997,   2.943)  (  3.946,  -2.995,   2.944)  ( 0.06,  0.05,  0.02)
170:     torsion (  0.102,  -0.850,   0.492)  (  0.102,  -0.850,   0.492)  ( 0.00,  0.04,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -6.846,   2.925,  -0.061)  ( -6.846,   2.925,  -0.061)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (-25.346,  18.925, -33.125)  (-25.341,  18.930, -33.115)  ( 0.02,  0.03,  0.03)
170:     bond    (-18.667,  18.966, -32.631)  (-18.664,  18.968, -32.623)  ( 0.01,  0.01,  0.03)
170:     angle   (  3.528,   0.851,  -1.525)  (  3.530,   0.852,  -1.524)  ( 0.06,  0.14,  0.06)
170:     torsion (  0.000,  -0.208,  -0.121)  (  0.000,  -0.208,  -0.121)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.207,  -0.683,   1.153)  (-10.207,  -0.683,   1.153)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 6 # gradients 
170: ok 7 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (-124.901, 251.533, -128.003)  (-124.865, 251.566, -127.974)  ( 0.03,  0.01,  0.02)
170:     bond    (-241.892, 155.872, -136.876)  (-241.868, 155.893, -136.855)  ( 0.01,  0.01,  0.02)
170:     angle   ( 70.553,  74.197,  -4.267)  ( 70.564,  74.208,  -4.258)  ( 0.02,  0.02,  0.22)
170:     torsion ( -4.351,   0.235,   7.936)  ( -4.351,   0.234,   7.936)  ( 0.01,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 50.789,  21.230,   5.204)  ( 50.790,  21.230,   5.204)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (103.796, -158.227,  60.957)  (103.798, -158.154,  61.078)  ( 0.00,  0.05,  0.20)
170:     bond    (177.662, -154.078, 115.966)  (177.695, -154.065, 115.971)  ( 0.02,  0.01,  0.00)
170:     angle   (-79.371,   2.427, -37.672)  (-79.369,   2.439, -37.667)  ( 0.00,  0.49,  0.01)
170:     torsion (  5.287,  -6.260, -16.624)  (  5.287,  -6.260, -16.625)  ( 0.00,  0.00,  0.00)
170:     oop     (  0.219,  -0.317,  -0.712)  (  0.185,  -0.268,  -0.601)  ( 0.74,  1.57,  7.93)
170:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       ( 21.862, -52.031, -15.008)  ( 21.866, -52.018, -15.006)  ( 0.02,  0.03,  0.02)
170:     bond    ( -1.880, -40.652,  -7.746)  ( -1.881, -40.638,  -7.745)  ( 0.01,  0.03,  0.00)
170:     angle   (-29.923,   3.090,  -8.952)  (-29.920,   3.090,  -8.950)  ( 0.01,  0.00,  0.03)
170:     torsion (  2.863,   0.677,  -4.249)  (  2.863,   0.677,  -4.249)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 50.802, -15.147,   5.939)  ( 50.803, -15.147,   5.938)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       ( 43.159,  11.809,  -5.068)  ( 43.170,  11.813,  -5.064)  ( 0.03,  0.03,  0.08)
170:     bond    ( 36.898,  15.124, -16.150)  ( 36.908,  15.126, -16.149)  ( 0.03,  0.01,  0.01)
170:     angle   (  6.027,  -6.123,   8.042)  (  6.028,  -6.120,   8.044)  ( 0.02,  0.04,  0.03)
170:     torsion (  0.162,   2.832,   3.024)  (  0.162,   2.831,   3.023)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.072,  -0.024,   0.017)  (  0.072,  -0.024,   0.017)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (  0.303,  -0.949,  47.273)  (  0.306,  -0.946,  47.286)  ( 0.08,  0.24,  0.03)
170:     bond    ( -0.494,   7.245,  42.986)  ( -0.494,   7.245,  42.999)  ( 0.01,  0.00,  0.03)
170:     angle   ( -1.773,  -6.965,   1.153)  ( -1.770,  -6.962,   1.153)  ( 0.17,  0.04,  0.01)
170:     torsion ( -1.143,  -1.515,   0.242)  ( -1.143,  -1.515,   0.242)  ( 0.01,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  3.713,   0.287,   2.892)  (  3.714,   0.287,   2.892)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       ( 88.097, -104.739,  97.655)  ( 88.280, -104.887,  97.246)  ( 0.21,  0.14,  0.42)
170:     bond    ( 21.237, -20.013,  15.611)  ( 21.279, -19.990,  15.619)  ( 0.20,  0.12,  0.06)
170:     angle   (101.256, -103.551,  78.175)  (101.266, -103.532,  78.178)  ( 0.01,  0.02,  0.00)
170:     torsion ( -2.958,   4.240,  10.109)  ( -2.958,   4.240,  10.110)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.747,   1.091,   2.439)  ( -0.616,   0.902,   2.017)  ( 9.75, 17.37, 17.30)
170:     vdw     (-30.691,  13.494,  -8.679)  (-30.690,  13.494,  -8.679)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       ( 39.508,  46.688,  -7.338)  ( 39.476,  46.782,  -7.144)  ( 0.08,  0.20,  2.64)
170:     bond    (  9.695,  -4.494,   4.946)  (  9.718,  -4.489,   4.951)  ( 0.24,  0.11,  0.12)
170:     angle   ( 30.142,  50.853, -13.053)  ( 30.144,  50.859, -13.052)  ( 0.01,  0.01,  0.00)
170:     torsion ( -0.506,   0.733,   1.657)  ( -0.506,   0.733,   1.657)  ( 0.00,  0.00,  0.02)
170:     oop     (  0.263,  -0.386,  -0.867)  (  0.206,  -0.303,  -0.679)  ( 1.49,  3.22, 16.24)
170:     vdw     ( -0.086,  -0.018,  -0.021)  ( -0.086,  -0.018,  -0.021)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (-171.999,   5.773, -50.556)  (-172.031,   5.844, -50.423)  ( 0.02,  1.23,  0.26)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bz7_bl4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bz8_bl6.sdf
170:     bond    ( -1.356,  40.905, -18.794)  ( -1.356,  40.918, -18.791)  ( 0.02,  0.03,  0.01)
170:     angle   (-96.949, -13.982, -23.449)  (-96.944, -13.981, -23.448)  ( 0.01,  0.00,  0.00)
170:     torsion (  0.647,  -0.940,  -2.094)  (  0.647,  -0.940,  -2.094)  ( 0.00,  0.01,  0.01)
170:     oop     (  0.265,  -0.389,  -0.867)  (  0.225,  -0.331,  -0.737)  ( 1.04,  2.27, 11.28)
170:     vdw     (-74.605, -19.821,  -5.352)  (-74.603, -19.821,  -5.352)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 8 # gradients 
170: ok 9 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       ( 79.151, -113.281, 196.799)  ( 74.305, -106.332, 184.856)  ( 6.12,  6.13,  6.07)
170:     bond    (101.517, -143.650, 249.265)  (101.546, -143.623, 249.282)  ( 0.03,  0.02,  0.01)
170:     angle   (-32.943,  45.373, -78.416)  (-32.934,  45.383, -78.405)  ( 0.03,  0.02,  0.01)
170:     torsion ( -0.022,  -0.007,  -0.017)  ( -0.021,  -0.007,  -0.016)  ( 0.00,  0.00,  0.00)
170:     oop     ( 10.599, -14.997,  25.967)  (  5.714,  -8.085,  13.995)  (46.09, 46.09, 46.10)
170:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (-197.774,  -4.633,   7.852)  (-197.736,  -7.194,  12.372)  ( 0.02, 55.28, 57.56)
170:     bond    (-220.390,  -0.005,   0.000)  (-220.363,   0.015,   0.020)  ( 0.01,  0.01,  0.00)
170:     angle   ( -0.050, -17.052,  29.460)  ( -0.039, -17.041,  29.469)  ( 0.05,  0.06,  0.03)
170:     torsion (  0.000,   0.010,  -0.003)  (  0.000,   0.009,  -0.004)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,   5.624,  -9.738)  (  0.000,   3.032,  -5.248)  ( 0.00, 46.09, 46.11)
170:     vdw     ( 22.666,   6.790, -11.866)  ( 22.666,   6.791, -11.866)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       ( 35.790, 182.731,   7.817)  ( 38.267, 181.903,  12.337)  ( 6.92,  0.45, 57.83)
170:     bond    ( 73.413, 207.701,  -0.104)  ( 73.434, 207.728,  -0.084)  ( 0.03,  0.01,  0.21)
170:     angle   ( 16.533,  -6.005,  29.483)  ( 16.544,  -5.994,  29.492)  ( 0.07,  0.18,  0.03)
170:     torsion (  0.009,  -0.004,   0.023)  (  0.010,  -0.003,   0.023)  ( 0.00,  0.00,  0.00)
170:     oop     ( -5.302,   1.878,  -9.738)  ( -2.858,   1.012,  -5.248)  (46.09, 46.09, 46.11)
170:     vdw     (-48.863, -20.839, -11.847)  (-48.862, -20.839, -11.847)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       ( 34.911, -98.106, -154.854)  ( 37.386, -101.529, -151.827)  ( 7.09,  3.49,  1.95)
170:     bond    ( 73.430, -103.943, -180.098)  ( 73.451, -103.921, -180.073)  ( 0.03,  0.02,  0.01)
170:     angle   ( 16.165, -22.410,  19.547)  ( 16.176, -22.400,  19.557)  ( 0.07,  0.05,  0.05)
170:     torsion ( -0.002,   0.009,  -0.006)  ( -0.001,   0.009,  -0.006)  ( 0.00,  0.00,  0.00)
170:     oop     ( -5.297,   7.495,  -6.490)  ( -2.855,   4.040,  -3.498)  (46.10, 46.10, 46.10)
170:     vdw     (-49.386,  20.743,  12.193)  (-49.385,  20.743,  12.193)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       ( 31.635,  91.501,   0.054)  ( 31.641,  91.514,   0.056)  ( 0.02,  0.01,  0.01)
170:     bond    (-28.294,  79.889,  -0.000)  (-28.292,  79.901,   0.000)  ( 0.01,  0.02,  0.00)
170:     angle   ( -0.323,  -0.114,  -0.029)  ( -0.320,  -0.113,  -0.027)  ( 0.10,  0.00,  0.01)
170:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 60.252,  11.726,   0.085)  ( 60.254,  11.726,   0.085)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (-28.211, -39.950,  69.376)  (-28.206, -39.946,  69.386)  ( 0.02,  0.01,  0.01)
170:     bond    (-28.241, -39.967,  69.197)  (-28.239, -39.964,  69.207)  ( 0.01,  0.01,  0.01)
170:     angle   (  0.129,   0.063,   0.091)  (  0.132,   0.065,   0.091)  ( 0.04,  0.01,  0.01)
170:     torsion ( -0.000,   0.004,   0.002)  (  0.000,   0.004,   0.002)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.100,  -0.050,   0.086)  ( -0.100,  -0.050,   0.086)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       ( 32.891, -45.899, -79.600)  ( 32.897, -45.895, -79.590)  ( 0.02,  0.01,  0.01)
170:     bond    (-28.228, -39.956, -69.236)  (-28.226, -39.952, -69.227)  ( 0.01,  0.01,  0.01)
170:     angle   (  0.224,   0.070,  -0.135)  (  0.227,   0.072,  -0.134)  ( 0.07,  0.01,  0.01)
170:     torsion ( -0.000,  -0.006,   0.004)  (  0.000,  -0.006,   0.004)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 60.894,  -6.008, -10.233)  ( 60.896,  -6.008, -10.233)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       ( 81.326,  -9.585,  -5.836)  ( 81.340,  -9.581,  -5.834)  ( 0.02,  0.04,  0.04)
170:     bond    ( 84.815,  -0.000,  -0.000)  ( 84.828,   0.000,   0.000)  ( 0.02,  0.00,  0.00)
170:     angle   (  0.000,   0.398,  -0.043)  (  0.000,   0.401,  -0.041)  ( 0.00,  0.13,  0.01)
170:     torsion ( -0.000,  -0.000,  -0.002)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.488,  -9.982,  -5.791)  ( -3.488,  -9.982,  -5.791)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (-38.408,  31.439,  64.243)  (-38.403,  31.445,  64.253)  ( 0.01,  0.02,  0.02)
170:     bond    (-28.241,  39.961,  69.197)  (-28.239,  39.964,  69.207)  ( 0.01,  0.01,  0.01)
170:     angle   (  0.071,  -0.115,   0.094)  (  0.073,  -0.112,   0.095)  ( 0.01,  0.03,  0.01)
170:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.238,  -8.406,  -5.048)  (-10.238,  -8.406,  -5.048)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       (-37.054,  19.007, -66.658)  (-37.049,  19.013, -66.648)  ( 0.01,  0.03,  0.02)
170:     bond    (-28.186,  39.882, -69.132)  (-28.184,  39.885, -69.123)  ( 0.01,  0.01,  0.01)
170:     angle   (  0.061,  -0.204,  -0.143)  (  0.063,  -0.202,  -0.142)  ( 0.01,  0.05,  0.01)
170:     torsion (  0.007,  -0.002,  -0.004)  (  0.007,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.936, -20.668,   2.621)  ( -8.936, -20.668,   2.621)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       ( 81.329,   9.798,   5.419)  ( 81.343,   9.801,   5.423)  ( 0.02,  0.03,  0.06)
170:     bond    ( 84.815,  -0.023,  -0.045)  ( 84.829,  -0.022,  -0.045)  ( 0.02,  0.00,  0.00)
170:     angle   ( -0.000,  -0.204,  -0.290)  ( -0.000,  -0.202,  -0.287)  ( 0.00,  0.04,  0.09)
170:     torsion ( -0.000,   0.008,  -0.005)  ( -0.000,   0.008,  -0.005)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.486,  10.017,   5.759)  ( -3.486,  10.017,   5.759)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (-37.251,  48.145, -49.889)  (-37.247,  48.151, -49.878)  ( 0.01,  0.01,  0.02)
170:     bond    (-28.274,  39.959, -69.218)  (-28.273,  39.962, -69.209)  ( 0.01,  0.01,  0.01)
170:     angle   (  0.045,   0.152,   0.069)  (  0.047,   0.154,   0.070)  ( 0.01,  0.03,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bz9_bl7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3bzu_a21.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c06_14c.sdf
170:     torsion ( -0.009,  -0.006,   0.000)  ( -0.009,  -0.006,   0.000)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -9.013,   8.040,  19.260)  ( -9.013,   8.040,  19.261)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (-38.542, -71.364,   5.090)  (-38.538, -71.351,   5.094)  ( 0.01,  0.02,  0.07)
170:     bond    (-28.276, -79.984,   0.044)  (-28.274, -79.972,   0.045)  ( 0.01,  0.02,  0.00)
170:     angle   (  0.029,  -0.011,   0.258)  (  0.031,  -0.011,   0.261)  ( 0.01,  0.00,  0.08)
170:     torsion (  0.014,  -0.005,   0.009)  (  0.014,  -0.005,   0.009)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.309,   8.636,   4.779)  (-10.308,   8.636,   4.779)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 10 # gradients 
170: ok 11 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (-459.477, 649.250, -1124.640)  (-425.030, 600.544, -1040.261)  ( 7.50,  7.50,  7.50)
170:     bond    (-267.083, 377.923, -654.760)  (-267.073, 377.932, -654.759)  ( 0.00,  0.00,  0.00)
170:     angle   (-117.641, 165.638, -286.837)  (-117.636, 165.643, -286.831)  ( 0.00,  0.00,  0.00)
170:     torsion ( -0.050,  -0.016,  -0.038)  ( -0.049,  -0.016,  -0.038)  ( 0.00,  0.00,  0.00)
170:     oop     (-74.704, 105.704, -183.005)  (-40.272,  56.984, -98.633)  (46.09, 46.09, 46.10)
170:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (909.379, -95.010, 164.381)  (909.405, -76.714, 132.762)  ( 0.00, 19.26, 19.24)
170:     bond    (886.759,  -0.001,   0.004)  (886.777,   0.015,   0.020)  ( 0.00,  0.00,  0.01)
170:     angle   ( -0.046, -62.174, 107.620)  ( -0.038, -62.166, 107.627)  ( 0.04,  0.01,  0.01)
170:     torsion (  0.000,   0.022,  -0.008)  (  0.000,   0.022,  -0.009)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000, -39.647,  68.632)  (  0.000, -21.376,  36.989)  ( 0.00, 46.09, 46.11)
170:     vdw     ( 22.666,   6.790, -11.866)  ( 22.666,   6.791, -11.866)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       (-248.852, -890.906, 164.380)  (-266.049, -884.780, 132.762)  ( 6.91,  0.69, 19.24)
170:     bond    (-296.159, -835.902,  -0.100)  (-296.142, -835.885,  -0.084)  ( 0.01,  0.00,  0.16)
170:     angle   ( 58.775, -20.921, 107.642)  ( 58.783, -20.913, 107.649)  ( 0.01,  0.04,  0.01)
170:     torsion (  0.022,  -0.008,   0.053)  (  0.023,  -0.008,   0.053)  ( 0.00,  0.00,  0.00)
170:     oop     ( 37.373, -13.235,  68.633)  ( 20.150,  -7.136,  36.989)  (46.09, 46.09, 46.11)
170:     vdw     (-48.863, -20.839, -11.847)  (-48.862, -20.839, -11.847)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       (-249.014, 303.413, 853.488)  (-266.195, 327.787, 832.430)  ( 6.90,  8.03,  2.47)
170:     bond    (-295.509, 418.119, 723.951)  (-295.493, 418.136, 723.968)  ( 0.01,  0.00,  0.00)
170:     angle   ( 58.556, -82.647,  71.621)  ( 58.564, -82.640,  71.629)  ( 0.01,  0.01,  0.01)
170:     torsion ( -0.004,   0.020,  -0.014)  ( -0.003,   0.021,  -0.013)  ( 0.00,  0.00,  0.00)
170:     oop     ( 37.330, -52.822,  45.737)  ( 20.122, -28.473,  24.654)  (46.10, 46.10, 46.10)
170:     vdw     (-49.386,  20.743,  12.193)  (-49.385,  20.743,  12.193)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       ( 31.733,  91.536,   0.053)  ( 31.739,  91.548,   0.054)  ( 0.02,  0.01,  0.01)
170:     bond    (-28.294,  79.889,  -0.000)  (-28.292,  79.901,   0.000)  ( 0.01,  0.02,  0.00)
170:     angle   ( -0.225,  -0.079,  -0.029)  ( -0.223,  -0.079,  -0.027)  ( 0.05,  0.00,  0.01)
170:     torsion ( -0.000,  -0.000,  -0.003)  (  0.000,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 60.252,  11.726,   0.085)  ( 60.254,  11.726,   0.085)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (-28.241, -39.940,  69.370)  (-28.237, -39.935,  69.380)  ( 0.01,  0.01,  0.01)
170:     bond    (-28.241, -39.967,  69.197)  (-28.239, -39.964,  69.207)  ( 0.01,  0.01,  0.01)
170:     angle   (  0.099,   0.069,   0.081)  (  0.101,   0.070,   0.082)  ( 0.02,  0.01,  0.01)
170:     torsion ( -0.000,   0.009,   0.005)  (  0.000,   0.009,   0.005)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.100,  -0.050,   0.086)  ( -0.100,  -0.050,   0.086)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       ( 32.824, -45.896, -79.574)  ( 32.829, -45.891, -79.564)  ( 0.02,  0.01,  0.01)
170:     bond    (-28.228, -39.956, -69.236)  (-28.226, -39.952, -69.227)  ( 0.01,  0.01,  0.01)
170:     angle   (  0.157,   0.082,  -0.114)  (  0.159,   0.084,  -0.113)  ( 0.03,  0.01,  0.01)
170:     torsion ( -0.000,  -0.015,   0.009)  (  0.000,  -0.015,   0.009)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 60.894,  -6.008, -10.233)  ( 60.896,  -6.008, -10.233)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       ( 81.326,  -9.696,  -5.838)  ( 81.340,  -9.693,  -5.836)  ( 0.02,  0.03,  0.05)
170:     bond    ( 84.815,  -0.000,  -0.000)  ( 84.828,   0.000,   0.000)  ( 0.02,  0.00,  0.00)
170:     angle   ( -0.000,   0.286,  -0.043)  (  0.000,   0.289,  -0.041)  ( 0.00,  0.07,  0.01)
170:     torsion ( -0.000,  -0.000,  -0.004)  (  0.000,   0.000,  -0.003)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.488,  -9.982,  -5.791)  ( -3.488,  -9.982,  -5.791)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (-38.399,  31.454,  64.238)  (-38.395,  31.459,  64.249)  ( 0.01,  0.02,  0.02)
170:     bond    (-28.241,  39.961,  69.197)  (-28.239,  39.964,  69.207)  ( 0.01,  0.01,  0.01)
170:     angle   (  0.079,  -0.100,   0.089)  (  0.081,  -0.098,   0.090)  ( 0.01,  0.02,  0.01)
170:     torsion (  0.000,  -0.000,   0.000)  (  0.001,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.238,  -8.406,  -5.048)  (-10.238,  -8.406,  -5.048)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       (-37.018,  19.050, -66.648)  (-37.014,  19.056, -66.638)  ( 0.01,  0.03,  0.02)
170:     bond    (-28.186,  39.882, -69.132)  (-28.184,  39.885, -69.123)  ( 0.01,  0.01,  0.01)
170:     angle   (  0.088,  -0.157,  -0.127)  (  0.090,  -0.155,  -0.126)  ( 0.02,  0.03,  0.01)
170:     torsion (  0.016,  -0.006,  -0.010)  (  0.016,  -0.006,  -0.010)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.936, -20.668,   2.621)  ( -8.936, -20.668,   2.621)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       ( 81.329,   9.860,   5.501)  ( 81.343,   9.863,   5.504)  ( 0.02,  0.03,  0.05)
170:     bond    ( 84.815,  -0.023,  -0.045)  ( 84.829,  -0.022,  -0.045)  ( 0.02,  0.00,  0.00)
170:     angle   ( -0.000,  -0.153,  -0.202)  ( -0.000,  -0.151,  -0.199)  ( 0.00,  0.03,  0.05)
170:     torsion ( -0.000,   0.019,  -0.011)  ( -0.000,   0.019,  -0.011)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.486,  10.017,   5.759)  ( -3.486,  10.017,   5.759)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c1k_t15.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c1x_ckk.sdf
166:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
166:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
166:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
166: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
166:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
166:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
166:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
166:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
166:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
166:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
166:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
166:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
166:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
166:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
166:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
166:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
166:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
166:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
166:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
166:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
166:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
166:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
166:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
166:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
166:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
166:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
166:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
166:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
166:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
166:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
166:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
166:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
166:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
166:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
166:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
166:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
166:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c2y_s60.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c3u_c2u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c43_315.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c45_317.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c49_ku8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c4e_c4e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c4f_c4f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c4h_drl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c56_ph4.sdf
168:     angle   (  6.274,   3.725,  -3.075)  (  6.274,   3.725,  -3.075)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -0.199,  -0.342,  -1.642)  ( -0.199,  -0.342,  -1.642)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.477,  -0.975,  -0.284)  ( -0.477,  -0.975,  -0.284)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 24       ( 10.798,  13.827,  -7.791)  ( 10.799,  13.829,  -7.790)  ( 0.01,  0.01,  0.02)
168:     bond    ( -5.076,   7.231,  -5.839)  ( -5.075,   7.232,  -5.838)  ( 0.01,  0.02,  0.02)
168:     angle   ( 15.920,   8.574,  -3.218)  ( 15.920,   8.575,  -3.218)  ( 0.00,  0.00,  0.01)
168:     strbnd  (  0.876,  -0.556,   0.755)  (  0.876,  -0.556,   0.755)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.922,  -1.422,   0.511)  ( -0.922,  -1.422,   0.511)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: ok 16 # gradients 
168: ok 17 # energy 
168: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c6n_2s8.sdf
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
15: /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c6p_2s3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c6t_m14.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c6u_m22.sdf
166:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
166:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
166:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
166:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
166:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
166: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
166:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
166:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
166:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
166:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
166: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
166:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
166:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
166:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
166: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
166:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
166:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
166:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
166: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
166:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
166:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
166:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
166:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
166:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
166: ok 28 # gradients 
166: ok 29 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c72_cx1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c7i_tvn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c7p_pof.sdf
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (-37.250,  48.120, -49.904)  (-37.246,  48.125, -49.894)  ( 0.01,  0.01,  0.02)
170:     bond    (-28.274,  39.959, -69.218)  (-28.273,  39.962, -69.209)  ( 0.01,  0.01,  0.01)
170:     angle   (  0.058,   0.135,   0.054)  (  0.059,   0.137,   0.055)  ( 0.01,  0.02,  0.00)
170:     torsion ( -0.020,  -0.014,   0.000)  ( -0.020,  -0.014,   0.000)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -9.013,   8.040,  19.260)  ( -9.013,   8.040,  19.261)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (-38.494, -71.381,   5.049)  (-38.490, -71.368,   5.051)  ( 0.01,  0.02,  0.05)
170:     bond    (-28.276, -79.984,   0.044)  (-28.274, -79.972,   0.045)  ( 0.01,  0.02,  0.00)
170:     angle   (  0.058,  -0.021,   0.205)  (  0.060,  -0.021,   0.207)  ( 0.01,  0.00,  0.05)
170:     torsion (  0.033,  -0.012,   0.020)  (  0.033,  -0.012,   0.020)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.309,   8.636,   4.779)  (-10.308,   8.636,   4.779)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 12 # gradients 
170: ok 13 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (-23.613,  -2.210,   2.937)  (-23.569,  -2.180,   2.984)  ( 0.18,  1.36,  1.58)
170:     bond    ( 37.054, -12.937,  -8.013)  ( 37.079, -12.911,  -8.009)  ( 0.07,  0.20,  0.05)
170:     angle   (  8.962,  10.378,   2.516)  (  8.976,  10.387,   2.517)  ( 0.16,  0.08,  0.05)
170:     torsion (  0.413,  -0.973,   2.161)  (  0.413,  -0.970,   2.180)  ( 0.01,  0.23,  0.87)
170:     oop     ( -0.012,   0.041,  -0.132)  ( -0.010,   0.035,  -0.109)  ( 0.00,  0.03,  0.30)
170:     vdw     (-70.030,   1.280,   6.405)  (-70.028,   1.279,   6.405)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (  5.393,  18.793,  11.158)  (  5.423,  18.875,  11.055)  ( 0.56,  0.44,  0.92)
170:     bond    ( 33.675, -25.493, -10.735)  ( 33.703, -25.470, -10.732)  ( 0.08,  0.09,  0.03)
170:     angle   (  5.674, -17.005,  -6.268)  (  5.685, -16.993,  -6.267)  ( 0.19,  0.07,  0.03)
170:     torsion ( -0.145,  -0.448,   2.063)  ( -0.145,  -0.446,   2.082)  ( 0.00,  0.09,  0.93)
170:     oop     (  0.056,  -0.262,   0.769)  (  0.047,  -0.218,   0.643)  ( 0.05,  1.13,  9.71)
170:     vdw     (-33.868,  62.001,  25.328)  (-33.867,  62.002,  25.328)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       (  1.940,  56.571,  23.255)  (  1.997,  56.545,  23.470)  ( 2.94,  0.05,  0.92)
170:     bond    (-19.349, -52.993, -17.882)  (-19.321, -52.969, -17.878)  ( 0.14,  0.04,  0.02)
170:     angle   ( 19.610,  45.310,  15.043)  ( 19.622,  45.322,  15.044)  ( 0.06,  0.03,  0.01)
170:     torsion (  0.402,  -8.286,  20.372)  (  0.402,  -8.283,  20.392)  ( 0.01,  0.03,  0.10)
170:     oop     ( -0.091,   0.393,  -1.144)  ( -0.076,   0.328,  -0.954)  ( 0.14,  2.57, 16.66)
170:     vdw     (  1.369,  72.147,   6.866)  (  1.370,  72.148,   6.866)  ( 0.11,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       (-27.138,  -3.592, -19.127)  (-27.058,  -4.344, -18.348)  ( 0.30, 20.92,  4.08)
170:     bond    (-50.594,  14.579,   8.252)  (-50.560,  14.605,   8.256)  ( 0.07,  0.18,  0.05)
170:     angle   (-30.588, -25.587,  20.635)  (-30.571, -25.572,  20.639)  ( 0.06,  0.06,  0.02)
170:     torsion ( -1.996,  13.629, -22.256)  ( -1.996,  13.632, -22.238)  ( 0.00,  0.02,  0.08)
170:     oop     ( -0.149,   3.849,  -3.856)  ( -0.122,   3.053,  -3.103)  ( 0.41, 20.67, 19.52)
170:     vdw     ( 56.189, -10.062, -21.902)  ( 56.191, -10.062, -21.902)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (-31.880, -44.982,  35.045)  (-31.882, -44.749,  34.526)  ( 0.01,  0.52,  1.48)
170:     bond    (-40.420,  41.995,  21.806)  (-40.392,  42.018,  21.810)  ( 0.07,  0.06,  0.02)
170:     angle   (-15.456,  -7.499,  -1.323)  (-15.444,  -7.487,  -1.321)  ( 0.08,  0.16,  0.14)
170:     torsion (  4.465, -13.505,  34.153)  (  4.466, -13.502,  34.172)  ( 0.00,  0.02,  0.06)
170:     oop     (  0.262,  -1.152,   3.243)  (  0.219,  -0.958,   2.700)  ( 1.13, 16.82, 16.74)
170:     vdw     ( 19.269, -64.822, -22.834)  ( 19.270, -64.821, -22.833)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (-12.291, -27.965, -12.989)  (-12.245, -27.951, -12.903)  ( 0.37,  0.05,  0.66)
170:     bond    ( 44.261,  36.517,   8.020)  ( 44.289,  36.540,   8.023)  ( 0.06,  0.06,  0.04)
170:     angle   (-13.442,  -1.258,   0.913)  (-13.431,  -1.246,   0.915)  ( 0.08,  0.94,  0.13)
170:     torsion ( -0.065,   2.436,  -2.077)  ( -0.065,   2.438,  -2.058)  ( 0.00,  0.09,  0.91)
170:     oop     ( -0.038,   0.156,  -0.397)  ( -0.032,   0.132,  -0.334)  ( 0.02,  0.39,  2.46)
170:     vdw     (-43.007, -65.816, -19.449)  (-43.007, -65.815, -19.449)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       (-25.860,  -1.136, 338.779)  (-25.614,   0.247, 337.431)  ( 0.95, 121.78,  0.40)
170:     bond    ( 65.767, 140.323, 186.598)  ( 65.806, 140.339, 186.620)  ( 0.06,  0.01,  0.01)
170:     angle   (-41.279,  19.132,  42.502)  (-41.263,  19.142,  42.512)  ( 0.04,  0.05,  0.02)
170:     torsion (-46.293, -174.861, 111.475)  (-46.292, -174.854, 111.480)  ( 0.00,  0.00,  0.00)
170:     oop     ( -1.261,  -6.768,   7.409)  ( -1.070,  -5.418,   6.024)  (15.15, 19.95, 18.69)
170:     vdw     ( -2.796,  21.037,  -9.205)  ( -2.795,  21.038,  -9.205)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (  2.007, -141.218, -337.027)  (  1.906, -139.418, -337.650)  ( 5.02,  1.27,  0.18)
170:     bond    (-148.647, -41.584, -55.210)  (-148.617, -41.572, -55.173)  ( 0.02,  0.03,  0.07)
170:     angle   (150.718, -65.909, -63.785)  (150.744, -65.902, -63.775)  ( 0.02,  0.01,  0.02)
170:     torsion (-23.473,  13.213, -231.721)  (-23.472,  13.218, -231.720)  ( 0.00,  0.04,  0.00)
170:     oop     (  1.005, -10.683,   4.518)  (  0.847,  -8.909,   3.846)  (15.73, 16.60, 14.87)
170:     vdw     ( 22.404, -36.254,   9.172)  ( 22.405, -36.253,   9.172)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (-40.105,  25.157, -120.469)  (-40.036,  24.105, -119.861)  ( 0.17,  4.18,  0.50)
170:     bond    ( 30.421, -42.975, -81.162)  ( 30.425, -42.968, -81.138)  ( 0.01,  0.02,  0.03)
170:     angle   (-97.973, -21.203, -25.506)  (-97.964, -21.203, -25.506)  ( 0.01,  0.00,  0.00)
170:     torsion ( -6.259, 116.531, -64.058)  ( -6.259, 116.532, -64.058)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.265,   5.425,  -2.973)  ( -0.209,   4.364,  -2.389)  ( 1.47, 19.56, 19.62)
170:     vdw     ( 33.971, -32.620,  53.230)  ( 33.972, -32.619,  53.231)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       ( 91.167,   5.416,  71.329)  ( 91.166,   4.769,  71.373)  ( 0.00, 11.95,  0.06)
170:     bond    (226.913, -56.230, -30.230)  (226.943, -56.204, -30.227)  ( 0.01,  0.05,  0.01)
170:     angle   (-194.316,  65.945, -70.440)  (-194.300,  65.958, -70.436)  ( 0.01,  0.02,  0.01)
170:     torsion ( 32.606, -18.848, 156.550)  ( 32.607, -18.846, 156.563)  ( 0.00,  0.01,  0.01)
170:     oop     (  0.229,   4.708,  -0.230)  (  0.181,   4.020,  -0.205)  ( 1.09, 14.62,  0.56)
170:     vdw     ( 25.735,   9.840,  15.679)  ( 25.736,   9.841,  15.679)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       (225.628, -206.652,  69.044)  (225.683, -206.423,  69.714)  ( 0.02,  0.11,  0.97)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3c9t_tps.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cak_efs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cav_ci2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cbf_n5f.sdf
166:  1       (-37.071, -81.376,  -8.715)  (-37.065, -81.370,  -8.711)  ( 0.01,  0.01,  0.06)
166:     bond    ( -6.927,  -6.224,   0.204)  ( -6.923,  -6.219,   0.208)  ( 0.06,  0.08,  0.07)
166:     angle   (-43.402, -92.594,  -5.039)  (-43.401, -92.592,  -5.037)  ( 0.00,  0.00,  0.03)
166:     strbnd  ( 17.017,  19.808,  -1.013)  ( 17.017,  19.807,  -1.014)  ( 0.00,  0.00,  0.03)
166:     torsion ( -0.140,   0.089,  -0.286)  ( -0.140,   0.089,  -0.286)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.619,  -2.454,  -2.581)  ( -3.619,  -2.454,  -2.581)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  2       (-39.440,   2.545,  50.699)  (-39.434,   2.550,  50.705)  ( 0.01,  0.18,  0.01)
166:     bond    (  2.221,   0.743,  -4.295)  (  2.225,   0.746,  -4.291)  ( 0.19,  0.23,  0.10)
166:     angle   (-30.186,   6.101,  43.460)  (-30.184,   6.103,  43.462)  ( 0.01,  0.03,  0.00)
166:     strbnd  ( -8.549,  -6.318,  14.014)  ( -8.550,  -6.318,  14.014)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.634,  -0.131,  -0.999)  ( -0.634,  -0.131,  -0.999)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.292,   2.150,  -1.482)  ( -2.292,   2.150,  -1.482)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  3       ( -1.587,  40.280, -47.662)  ( -1.722,  39.405, -48.005)  ( 8.54,  2.17,  0.72)
166:     bond    ( -0.509,   0.513,  -6.367)  ( -0.504,   0.517,  -6.364)  ( 0.25,  0.20,  0.05)
166:     angle   ( 13.510,  14.854, -42.989)  ( 13.512,  14.856, -42.987)  ( 0.01,  0.01,  0.00)
166:     strbnd  (-14.490,   2.857,  -6.469)  (-14.491,   2.857,  -6.469)  ( 0.01,  0.01,  0.01)
166:     torsion (  0.820,  13.476,   6.086)  (  0.820,  13.476,   6.086)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.965,   7.596,   5.726)  ( -1.106,   6.716,   5.379)  (13.62, 11.59,  6.06)
166:     vdw     (  0.470,   0.645,  -3.276)  (  0.471,   0.645,  -3.276)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.424,   0.339,  -0.373)  ( -0.424,   0.339,  -0.373)  ( 0.00,  0.00,  0.00)
166:  4       ( -3.751,  47.995,  62.741)  ( -3.746,  48.001,  62.747)  ( 0.14,  0.01,  0.01)
166:     bond    ( -1.086,   2.486,   9.511)  ( -1.082,   2.490,   9.516)  ( 0.33,  0.17,  0.05)
166:     angle   ( -4.863,  51.765,  70.840)  ( -4.861,  51.767,  70.842)  ( 0.04,  0.00,  0.00)
166:     strbnd  (  4.026, -10.734, -19.678)  (  4.025, -10.735, -19.679)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.144,   0.700,  -0.367)  (  0.144,   0.700,  -0.367)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.972,   3.779,   2.435)  ( -1.972,   3.779,   2.435)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  5       (-38.271, -131.602, -55.190)  (-37.474, -129.364, -53.224)  ( 2.08,  1.70,  3.56)
166:     bond    (  8.677, -20.361, -12.122)  (  8.681, -20.358, -12.120)  ( 0.05,  0.02,  0.02)
166:     angle   (-36.816, -71.485,  11.280)  (-36.815, -71.484,  11.281)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( 12.873,  -5.181,   7.752)  ( 12.873,  -5.181,   7.752)  ( 0.00,  0.00,  0.01)
166:     torsion (-12.225, -29.725, -36.119)  (-12.225, -29.725, -36.119)  ( 0.00,  0.00,  0.00)
166:     oop     ( -5.173, -18.341, -24.805)  ( -4.382, -16.108, -22.842)  (15.29, 12.17,  7.91)
166:     vdw     ( -5.982,  13.988,  -1.401)  ( -5.982,  13.988,  -1.401)  ( 0.00,  0.00,  0.00)
166:     electro (  0.375,  -0.497,   0.224)  (  0.375,  -0.497,   0.224)  ( 0.00,  0.00,  0.00)
166:  6       ( 59.513,  60.458,  25.145)  ( 58.727,  59.176,  24.316)  ( 1.32,  2.12,  3.30)
166:     bond    ( -6.489, -13.464,  18.197)  ( -6.484, -13.459,  18.199)  ( 0.07,  0.03,  0.01)
166:     angle   ( 37.474,  50.266, -17.881)  ( 37.475,  50.267, -17.880)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( -3.586,  -8.839,   8.084)  ( -3.586,  -8.840,   8.084)  ( 0.01,  0.00,  0.00)
166:     torsion ( 14.651,  15.387,  15.614)  ( 14.652,  15.387,  15.614)  ( 0.00,  0.00,  0.00)
166:     oop     (  6.902,   8.223,   9.114)  (  6.110,   6.936,   8.282)  (11.47, 15.66,  9.13)
166:     vdw     ( 10.851,   9.567,  -8.214)  ( 10.851,   9.567,  -8.214)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.290,  -0.682,   0.230)  ( -0.290,  -0.682,   0.230)  ( 0.00,  0.00,  0.00)
166:  7       (-98.956, -30.139,   2.983)  (-97.624, -30.391,   3.584)  ( 1.35,  0.84, 20.16)
166:     bond    (-36.725,  -4.863,   0.794)  (-36.719,  -4.859,   0.795)  ( 0.01,  0.08,  0.10)
166:     angle   (-40.863, -11.120,  -0.055)  (-40.862, -11.119,  -0.054)  ( 0.00,  0.01,  0.00)
166:     strbnd  (-15.761, -19.921,  -0.231)  (-15.761, -19.921,  -0.231)  ( 0.00,  0.00,  0.00)
166:     torsion (-16.151,  -0.989,   6.996)  (-16.151,  -0.989,   6.996)  ( 0.00,  0.00,  0.01)
166:     oop     ( -6.016,   1.821,   0.042)  ( -4.691,   1.564,   0.642)  (22.03, 14.13,  2.51)
166:     vdw     ( 17.210,   4.832,  -4.353)  ( 17.210,   4.832,  -4.353)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.650,   0.102,  -0.210)  ( -0.650,   0.102,  -0.210)  ( 0.00,  0.00,  0.00)
166:  8       ( 42.185, -29.144,  98.083)  ( 40.890, -28.721,  95.733)  ( 3.07,  1.45,  2.40)
166:     bond    (  0.216,  13.908,  14.316)  (  0.219,  13.913,  14.318)  ( 0.06,  0.04,  0.01)
166:     angle   ( 11.911, -57.274,  71.476)  ( 11.912, -57.273,  71.477)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( 12.084,  27.937,   5.019)  ( 12.083,  27.936,   5.019)  ( 0.00,  0.00,  0.00)
166:     torsion (  3.830,   0.035,  -3.860)  (  3.830,   0.035,  -3.861)  ( 0.00,  0.00,  0.00)
166:     oop     (  8.502,  -2.885,  10.470)  (  7.204,  -2.469,   8.117)  (15.27, 14.44, 22.47)
166:     vdw     (  7.198, -12.680,   2.190)  (  7.198, -12.679,   2.190)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.556,   1.815,  -1.528)  ( -1.556,   1.815,  -1.528)  ( 0.00,  0.00,  0.00)
166:  9       ( 32.579,  54.117, -119.425)  ( 31.952,  53.028, -118.703)  ( 1.92,  2.01,  0.60)
166:     bond    ( 10.817,   9.746, -28.895)  ( 10.820,   9.748, -28.889)  ( 0.03,  0.02,  0.02)
166:     angle   ( 35.048,  51.699, -72.855)  ( 35.049,  51.701, -72.854)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  0.568,  -4.532,  -8.148)  (  0.567,  -4.532,  -8.148)  ( 0.01,  0.00,  0.00)
166:     torsion ( -4.728,  -6.617, -17.279)  ( -4.728,  -6.618, -17.279)  ( 0.00,  0.01,  0.00)
166:     oop     (  1.204,   5.714,  -4.530)  (  0.573,   4.622,  -3.815)  (52.37, 19.12, 15.77)
166:     vdw     (-10.056,  -2.512,  13.221)  (-10.056,  -2.512,  13.222)  ( 0.00,  0.01,  0.00)
166:     electro ( -0.274,   0.620,  -0.940)  ( -0.274,   0.620,  -0.940)  ( 0.00,  0.00,  0.00)
166: 10       ( -2.422, -19.944, 132.061)  ( -2.392, -20.229, 130.455)  ( 1.24,  1.43,  1.22)
166:     bond    ( 18.269,   6.335,   0.967)  ( 18.273,   6.339,   0.970)  ( 0.02,  0.07,  0.23)
166:     angle   (-27.608, -36.500,  84.948)  (-27.607, -36.499,  84.949)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( 12.909,   2.314,  -3.833)  ( 12.909,   2.313,  -3.833)  ( 0.00,  0.02,  0.00)
166:     torsion (  5.991,   6.815,  25.602)  (  5.992,   6.815,  25.602)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.582,   4.956,  14.815)  (  0.605,   4.666,  13.205)  ( 1.37,  5.85, 10.86)
166:     vdw     (-13.143,  -3.558,   9.953)  (-13.143,  -3.558,   9.953)  ( 0.00,  0.00,  0.00)
166:     electro (  0.579,  -0.306,  -0.390)  (  0.579,  -0.306,  -0.390)  ( 0.00,  0.00,  0.00)
166: 11       ( 47.658, -22.934, -63.453)  ( 37.369, -23.638, -54.855)  (21.59,  3.07, 13.55)
166:     bond    (-11.073,   2.546,  -4.952)  (-11.069,   2.550,  -4.949)  ( 0.04,  0.18,  0.08)
166:     angle   ( 14.987, -10.150, -58.721)  ( 14.989, -10.148, -58.720)  ( 0.01,  0.02,  0.00)
166:     strbnd  ( 17.268, -10.877,  11.808)  ( 17.267, -10.878,  11.807)  ( 0.00,  0.01,  0.01)
166:     torsion (  6.129,   3.198,  15.790)  (  6.129,   3.198,  15.790)  ( 0.00,  0.00,  0.00)
166:     oop     ( 18.909,  -6.132, -23.821)  (  8.614,  -6.841, -15.228)  (54.44, 11.57, 36.07)
166:     vdw     (  1.389,  -2.494,  -1.281)  (  1.389,  -2.494,  -1.281)  ( 0.00,  0.00,  0.00)
166:     electro (  0.050,   0.975,  -2.276)  (  0.050,   0.975,  -2.276)  ( 0.00,  0.00,  0.00)
166: 12       ( 31.693, -14.126, -65.659)  ( 31.699, -14.121, -65.654)  ( 0.02,  0.04,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cbl_stu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cbp_sfg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cbs_r12.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ccb_b2y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ccc_7ac.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ccn_lkg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cct_3hi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ccw_4hi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ccz_5hi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cd0_6hi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cd5_7hi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cd8_l5g.sdf
170:     bond    ( 93.426, -53.532,   4.505)  ( 93.459, -53.503,   4.510)  ( 0.04,  0.05,  0.10)
170:     angle   (119.389, -90.859, 170.310)  (119.405, -90.843, 170.313)  ( 0.01,  0.02,  0.00)
170:     torsion ( 13.029, -48.793, -96.910)  ( 13.029, -48.791, -96.893)  ( 0.00,  0.00,  0.02)
170:     oop     ( -0.069,  -0.913,  -3.501)  ( -0.065,  -0.731,  -2.856)  ( 0.03, 16.60, 18.45)
170:     vdw     ( -0.146, -12.555,  -5.360)  ( -0.146, -12.555,  -5.360)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (-93.468, -119.866,  38.940)  (-93.411, -119.855,  38.827)  ( 0.06,  0.01,  0.29)
170:     bond    (-186.226, -17.199,  -4.867)  (-186.184, -17.162,  -4.865)  ( 0.02,  0.21,  0.05)
170:     angle   (100.853, -104.886,  -7.299)  (100.869, -104.868,  -7.296)  ( 0.02,  0.02,  0.04)
170:     torsion ( -3.809,   9.448,  48.069)  ( -3.809,   9.448,  48.091)  ( 0.00,  0.01,  0.04)
170:     oop     ( -0.012,   0.289,   1.060)  ( -0.013,   0.245,   0.920)  ( 0.00,  1.28, 13.28)
170:     vdw     ( -4.274,  -7.518,   1.976)  ( -4.274,  -7.518,   1.977)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (  3.335, 288.444, -76.170)  (  3.362, 288.525, -75.893)  ( 0.82,  0.03,  0.36)
170:     bond    (  4.828, 149.615, -23.114)  (  4.856, 149.648, -23.113)  ( 0.59,  0.02,  0.01)
170:     angle   ( 58.584,  79.414, -45.322)  ( 58.600,  79.429, -45.321)  ( 0.03,  0.02,  0.00)
170:     torsion ( -0.800,  11.926, -13.399)  ( -0.800,  11.927, -13.378)  ( 0.02,  0.01,  0.16)
170:     oop     (  0.110,  -0.159,  -1.678)  (  0.091,  -0.129,  -1.424)  ( 0.21,  0.48, 15.12)
170:     vdw     (-59.388,  47.647,   7.343)  (-59.386,  47.650,   7.343)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       ( 97.961, 147.551, 113.911)  ( 98.001, 147.592, 113.202)  ( 0.04,  0.03,  0.62)
170:     bond    (-154.829, 111.469,  -0.872)  (-154.804, 111.501,  -0.871)  ( 0.02,  0.03,  0.09)
170:     angle   (248.150,  36.634,  82.756)  (248.166,  36.648,  82.756)  ( 0.01,  0.04,  0.00)
170:     torsion ( -1.838,  -9.032,  27.518)  ( -1.838,  -9.032,  27.541)  ( 0.02,  0.00,  0.08)
170:     oop     ( -0.039,   0.000,   3.201)  ( -0.040,  -0.006,   2.469)  ( 0.00,  0.00, 22.88)
170:     vdw     (  6.518,   8.480,   1.307)  (  6.518,   8.480,   1.307)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       (-105.638, -92.389,  26.667)  (-105.524, -92.343,  27.540)  ( 0.11,  0.05,  3.28)
170:     bond    ( 53.724, -43.269, -13.811)  ( 53.752, -43.241, -13.809)  ( 0.05,  0.06,  0.01)
170:     angle   (-150.033, -101.179,  -4.308)  (-150.019, -101.165,  -4.309)  ( 0.01,  0.01,  0.01)
170:     torsion (-12.547,  -1.115,  45.037)  (-12.546,  -1.115,  45.061)  ( 0.00,  0.01,  0.05)
170:     oop     ( -0.413,   0.024,  -4.236)  ( -0.342,   0.027,  -3.386)  ( 2.93,  0.01, 20.05)
170:     vdw     (  3.631,  53.150,   3.984)  (  3.631,  53.151,   3.984)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       (-73.437,   0.837,  32.603)  (-73.425,   0.887,  32.365)  ( 0.02,  4.21,  0.73)
170:     bond    ( 50.547, -70.937, -15.049)  ( 50.574, -70.910, -15.048)  ( 0.05,  0.04,  0.01)
170:     angle   (-70.177,  42.637,   8.768)  (-70.165,  42.649,   8.768)  ( 0.02,  0.03,  0.00)
170:     torsion (  3.371,  -2.144,  22.650)  (  3.371,  -2.143,  22.671)  ( 0.02,  0.02,  0.09)
170:     oop     (  0.179,  -0.069,   1.564)  (  0.150,  -0.060,   1.303)  ( 0.52,  0.07, 16.70)
170:     vdw     (-57.357,  31.349,  14.670)  (-57.356,  31.350,  14.670)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       (-38.012,   1.098,  26.556)  (-37.969,   1.136,  26.591)  ( 0.11,  3.43,  0.13)
170:     bond    ( 38.128,  64.277,   2.987)  ( 38.153,  64.305,   2.988)  ( 0.07,  0.04,  0.04)
170:     angle   (  4.265, -26.112,  -4.627)  (  4.279, -26.101,  -4.627)  ( 0.32,  0.04,  0.00)
170:     torsion (  3.666,  -2.511,  22.904)  (  3.666,  -2.510,  22.925)  ( 0.01,  0.01,  0.09)
170:     oop     ( -0.014,   0.010,  -0.082)  ( -0.012,   0.008,  -0.069)  ( 0.00,  0.00,  0.11)
170:     vdw     (-84.058, -34.566,   5.374)  (-84.056, -34.565,   5.374)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       ( -6.612, -14.388,   4.623)  ( -6.583, -14.337,   4.539)  ( 0.44,  0.35,  1.82)
170:     bond    (-23.301,  24.678,   5.043)  (-23.273,  24.703,   5.044)  ( 0.12,  0.10,  0.02)
170:     angle   ( 23.724,  18.525,  -0.135)  ( 23.734,  18.539,  -0.135)  ( 0.04,  0.08,  0.00)
170:     torsion (  0.087,  -0.016,   3.427)  (  0.087,  -0.016,   3.448)  ( 0.00,  0.00,  0.62)
170:     oop     (  0.058,  -0.061,   0.636)  (  0.049,  -0.051,   0.530)  ( 0.06,  0.06,  6.75)
170:     vdw     ( -7.180, -57.513,  -4.349)  ( -7.180, -57.512,  -4.349)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       ( 11.714,  20.273,   5.442)  ( 11.764,  20.303,   5.582)  ( 0.43,  0.14,  2.59)
170:     bond    (  3.716,  51.056,   3.270)  (  3.743,  51.083,   3.271)  ( 0.71,  0.05,  0.02)
170:     angle   (-53.611,  15.132,   7.002)  (-53.599,  15.144,   7.002)  ( 0.02,  0.08,  0.00)
170:     torsion (  1.337,  -0.581,   6.526)  (  1.337,  -0.581,   6.547)  ( 0.01,  0.01,  0.32)
170:     oop     ( -0.057,   0.060,  -0.698)  ( -0.047,   0.050,  -0.579)  ( 0.06,  0.06,  8.29)
170:     vdw     ( 60.329, -45.394, -10.659)  ( 60.330, -45.393, -10.659)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       ( 85.817,   0.348,   2.069)  ( 85.847,   0.385,   2.035)  ( 0.04,  1.29,  1.64)
170:     bond    (-102.276,  22.499,  12.095)  (-102.251,  22.527,  12.096)  ( 0.02,  0.13,  0.01)
170:     angle   (114.983,   0.338, -13.795)  (114.997,   0.349, -13.795)  ( 0.01,  0.36,  0.00)
170:     torsion (  3.315,   2.200,  13.926)  (  3.315,   2.200,  13.947)  ( 0.01,  0.01,  0.15)
170:     oop     (  0.081,   0.015,   0.475)  (  0.070,   0.011,   0.419)  ( 0.09,  0.01,  2.68)
170:     vdw     ( 69.714, -24.704, -10.632)  ( 69.716, -24.702, -10.632)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       (-66.238,  22.367,  95.317)  (-66.197,  22.317,  95.067)  ( 0.06,  0.22,  0.26)
170:     bond    ( 55.099, -110.431, 101.265)  ( 55.118, -110.408, 101.284)  ( 0.03,  0.02,  0.02)
170:     angle   (-100.710,  88.879, -129.473)  (-100.696,  88.891, -129.464)  ( 0.01,  0.01,  0.01)
170:     torsion (-18.856,  33.146, 127.144)  (-18.854,  33.148, 127.149)  ( 0.01,  0.01,  0.00)
170:     oop     ( -0.022,   0.319,   1.038)  ( -0.016,   0.233,   0.756)  ( 0.01,  2.77, 27.17)
170:     vdw     ( -1.750,  10.454,  -4.658)  ( -1.749,  10.454,  -4.658)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       ( 10.945, -26.557,  21.043)  ( 10.974, -26.528,  21.072)  ( 0.26,  0.11,  0.14)
170:     bond    ( 78.061, -32.255, -59.087)  ( 78.080, -32.237, -59.068)  ( 0.02,  0.05,  0.03)
170:     angle   (-71.166, -17.158,  58.672)  (-71.158, -17.148,  58.681)  ( 0.01,  0.05,  0.02)
170:     torsion ( 16.636,   5.460,  15.588)  ( 16.636,   5.461,  15.588)  ( 0.00,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-12.585,  17.395,   5.870)  (-12.584,  17.396,   5.870)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       ( 33.427, -21.864,   6.423)  ( 33.457, -21.835,   6.452)  ( 0.09,  0.13,  0.45)
170:     bond    (-69.515, -53.766,  16.940)  (-69.496, -53.748,  16.959)  ( 0.03,  0.03,  0.11)
170:     angle   (104.511,   2.138,  -2.504)  (104.521,   2.147,  -2.495)  ( 0.01,  0.41,  0.34)
170:     torsion (  7.290,  -4.506,  14.180)  (  7.291,  -4.505,  14.182)  ( 0.01,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.860,  34.269, -22.193)  ( -8.858,  34.270, -22.193)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cda_8hi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cdb_9hi.sdf
166:     bond    (  4.025,  -3.189,  -9.311)  (  4.029,  -3.185,  -9.307)  ( 0.10,  0.12,  0.05)
166:     angle   ( 35.137, -10.001, -64.710)  ( 35.139, -10.000, -64.708)  ( 0.01,  0.02,  0.00)
166:     strbnd  ( -5.006,   4.101,  11.332)  ( -5.006,   4.101,  11.331)  ( 0.01,  0.01,  0.01)
166:     torsion ( -2.865,  -1.801,  -0.962)  ( -2.865,  -1.801,  -0.962)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.401,  -3.237,  -2.009)  (  0.401,  -3.237,  -2.009)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 13       (-44.560, -77.865, 136.018)  (-23.829, -75.824, 121.163)  (46.52,  2.62, 10.92)
166:     bond    ( -2.460,   4.359,  -8.933)  ( -2.456,   4.363,  -8.924)  ( 0.18,  0.08,  0.10)
166:     angle   ( 29.524, -109.944, 134.355)  ( 29.525, -109.943, 134.355)  ( 0.00,  0.00,  0.00)
166:     strbnd  (-14.951,  10.444, -24.236)  (-14.952,  10.444, -24.237)  ( 0.01,  0.01,  0.01)
166:     torsion (  1.176,  -3.022,  -8.395)  (  1.176,  -3.022,  -8.396)  ( 0.06,  0.00,  0.01)
166:     oop     (-59.918,  23.973,  41.115)  (-39.191,  26.010,  26.252)  (34.59,  8.49, 36.15)
166:     vdw     (  2.638,  -3.488,   3.777)  (  2.638,  -3.488,   3.777)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.568,  -0.188,  -1.665)  ( -0.568,  -0.188,  -1.665)  ( 0.00,  0.00,  0.00)
166: 14       (-73.793,  -5.351, -43.764)  (-74.002,  -4.993, -43.416)  ( 0.28,  6.69,  0.79)
166:     bond    (  2.608,   8.877,  -3.192)  (  2.609,   8.883,  -3.190)  ( 0.05,  0.08,  0.06)
166:     angle   (-96.717,  12.033, -55.420)  (-96.718,  12.033, -55.421)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( -4.852, -11.840,   5.276)  ( -4.852, -11.840,   5.276)  ( 0.00,  0.00,  0.00)
166:     torsion ( 10.732,   0.866,  11.025)  ( 10.727,   0.866,  11.022)  ( 0.04,  0.00,  0.03)
166:     oop     ( 12.415, -11.706,  -6.666)  ( 12.210, -11.356,  -6.316)  ( 1.65,  3.00,  5.26)
166:     vdw     (  1.533,  -1.793,   3.152)  (  1.533,  -1.793,   3.152)  ( 0.00,  0.00,  0.00)
166:     electro (  0.489,  -1.787,   2.061)  (  0.489,  -1.787,   2.061)  ( 0.00,  0.00,  0.00)
166: 15       ( 69.217, 103.058, -57.300)  ( 59.276, 101.483, -50.491)  (14.36,  1.53, 11.88)
166:     bond    (  2.268,   0.918,   3.526)  (  2.270,   0.919,   3.532)  ( 0.12,  0.04,  0.18)
166:     angle   ( 44.112, 114.284, -58.082)  ( 44.112, 114.285, -58.082)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  4.938,   2.167,   7.080)  (  4.938,   2.167,   7.080)  ( 0.01,  0.01,  0.00)
166:     torsion ( -3.970,   1.783,   2.088)  ( -3.970,   1.783,   2.088)  ( 0.00,  0.00,  0.00)
166:     oop     ( 25.969,  -6.898, -14.899)  ( 16.024,  -8.474,  -8.097)  (38.29, 22.85, 45.66)
166:     vdw     (  0.595,  -0.501,   0.672)  (  0.595,  -0.501,   0.672)  ( 0.00,  0.00,  0.00)
166:     electro ( -4.694,  -8.696,   2.316)  ( -4.694,  -8.696,   2.316)  ( 0.00,  0.00,  0.00)
166: 16       ( 10.862,  32.599,  -5.193)  ( 10.865,  32.600,  -5.193)  ( 0.03,  0.00,  0.01)
166:     bond    ( 12.564,  -2.116,  -0.282)  ( 12.567,  -2.116,  -0.282)  ( 0.02,  0.01,  0.00)
166:     angle   (  5.837,  35.355,  -5.146)  (  5.837,  35.356,  -5.145)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( -6.059,   0.924,   0.108)  ( -6.059,   0.924,   0.108)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.025,   0.048,   0.772)  (  0.025,   0.048,   0.772)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.506,  -1.612,  -0.646)  ( -1.506,  -1.612,  -0.646)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 17       ( 23.103,  21.401, -13.776)  ( 23.104,  21.402, -13.774)  ( 0.00,  0.01,  0.01)
166:     bond    (  0.013,   7.722,   8.189)  (  0.013,   7.723,   8.191)  ( 0.00,  0.02,  0.02)
166:     angle   ( 23.319,  18.754, -17.721)  ( 23.319,  18.754, -17.721)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( -0.112,  -4.214,  -4.433)  ( -0.112,  -4.214,  -4.433)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.254,  -0.191,   0.179)  (  0.254,  -0.191,   0.179)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.370,  -0.670,   0.010)  ( -0.370,  -0.670,   0.010)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 18       ( 33.905,  23.432,  15.855)  ( 33.905,  23.433,  15.857)  ( 0.00,  0.01,  0.01)
166:     bond    (  0.412,   8.070,  -8.784)  (  0.412,   8.072,  -8.782)  ( 0.00,  0.02,  0.02)
166:     angle   ( 35.086,  20.894,  20.850)  ( 35.086,  20.894,  20.850)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( -0.271,  -3.980,   4.289)  ( -0.271,  -3.980,   4.289)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.050,  -0.044,  -0.038)  (  0.050,  -0.044,  -0.038)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.372,  -1.509,  -0.461)  ( -1.372,  -1.509,  -0.461)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 19       (  7.842,  13.549,  15.910)  (  7.843,  13.550,  15.912)  ( 0.01,  0.01,  0.01)
166:     bond    (  4.298,  -5.557,  10.878)  (  4.298,  -5.556,  10.880)  ( 0.01,  0.01,  0.02)
166:     angle   (  5.140,  17.037,   6.669)  (  5.140,  17.038,   6.669)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( -0.222,   0.518,  -1.052)  ( -0.222,   0.518,  -1.052)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.333,  -0.021,  -0.143)  (  0.333,  -0.021,  -0.143)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.708,   1.572,  -0.443)  ( -1.707,   1.572,  -0.443)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 20       ( 24.224,   9.746,   3.735)  ( 24.225,   9.747,   3.737)  ( 0.00,  0.01,  0.06)
166:     bond    (  0.205,   8.145,  12.537)  (  0.205,   8.145,  12.539)  ( 0.00,  0.01,  0.02)
166:     angle   ( 25.409,   2.588,  -2.097)  ( 25.410,   2.588,  -2.096)  ( 0.00,  0.01,  0.01)
166:     strbnd  ( -0.027,  -1.112,  -1.794)  ( -0.027,  -1.112,  -1.794)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.559,  -0.957,   0.631)  ( -0.559,  -0.957,   0.631)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.804,   1.083,  -5.542)  ( -0.804,   1.083,  -5.542)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 21       (-14.013,  -5.680, -13.049)  (-14.012,  -5.678, -13.048)  ( 0.01,  0.05,  0.00)
166:     bond    ( -4.768, -11.721,   2.019)  ( -4.767, -11.719,   2.019)  ( 0.01,  0.02,  0.01)
166:     angle   ( -9.742,   1.595, -13.739)  ( -9.741,   1.596, -13.738)  ( 0.01,  0.01,  0.00)
166:     strbnd  (  0.618,   1.701,  -0.398)  (  0.618,   1.701,  -0.398)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.143,   0.073,   0.763)  (  0.143,   0.073,   0.763)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.264,   2.671,  -1.694)  ( -0.263,   2.671,  -1.694)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 22       (-11.466, -17.731, -34.136)  (-11.464, -17.730, -34.135)  ( 0.02,  0.00,  0.00)
166:     bond    ( 10.515,  -3.031,  -3.787)  ( 10.517,  -3.031,  -3.787)  ( 0.02,  0.01,  0.01)
166:     angle   (-17.099, -17.314, -33.631)  (-17.099, -17.314, -33.630)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( -4.687,   1.352,   1.833)  ( -4.687,   1.352,   1.833)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.036,  -0.401,   0.221)  ( -0.036,  -0.401,   0.221)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.159,   1.663,   1.228)  ( -0.159,   1.663,   1.228)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 23       (  9.654, -14.702, -18.379)  (  9.655, -14.701, -18.377)  ( 0.01,  0.01,  0.01)
166:     bond    ( -3.691,   5.903, -11.062)  ( -3.691,   5.904, -11.060)  ( 0.01,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cde_n3h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ce3_1fn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ceh_ave.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cej_avf.sdf
168:  1       ( 75.919,  23.900,  -8.357)  ( 75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
168:     bond    ( 43.256,   7.487, -14.578)  ( 43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
168:     angle   ( -0.077,   0.026,  -0.013)  ( -0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( 27.650,   7.696,  -4.671)  ( 27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
168:     torsion ( -0.018,   0.018,   0.030)  ( -0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.004,   0.006,   0.012)  ( -0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     (  5.113,   8.667,  10.865)  (  5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  2       ( -0.007,  70.694, -37.613)  (  0.000,  70.701, -37.611)  ( 0.00,  0.01,  0.01)
168:     bond    ( -0.003,  34.123, -31.161)  (  0.000,  34.128, -31.160)  ( 0.00,  0.01,  0.00)
168:     angle   ( -0.002,   0.021,  -0.051)  (  0.000,   0.022,  -0.051)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( -0.001,  24.741, -15.277)  (  0.000,  24.742, -15.276)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.007,  -0.022)  (  0.000,  -0.006,  -0.021)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.005,  -0.010)  (  0.000,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.000,  11.821,   8.908)  (  0.000,  11.821,   8.908)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  3       ( -0.007, -70.710, -37.613)  (  0.000, -70.701, -37.611)  ( 0.00,  0.01,  0.01)
168:     bond    ( -0.003, -34.133, -31.161)  (  0.000, -34.128, -31.160)  ( 0.00,  0.01,  0.00)
168:     angle   ( -0.002,  -0.024,  -0.051)  (  0.000,  -0.022,  -0.051)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( -0.001, -24.743, -15.277)  (  0.000, -24.742, -15.276)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,   0.006,  -0.022)  (  0.000,   0.006,  -0.021)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,   0.005,  -0.010)  (  0.000,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.000, -11.821,   8.908)  ( -0.000, -11.821,   8.908)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  4       ( 75.919, -23.913,  -8.357)  ( 75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
168:     bond    ( 43.256,  -7.494, -14.578)  ( 43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
168:     angle   ( -0.077,  -0.029,  -0.013)  ( -0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( 27.650,  -7.698,  -4.671)  ( 27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
168:     torsion ( -0.018,  -0.018,   0.030)  ( -0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.004,  -0.006,   0.012)  ( -0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     (  5.113,  -8.667,  10.865)  (  5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  5       (-38.554,  47.292, -52.215)  (-38.549,  47.297, -52.209)  ( 0.01,  0.01,  0.01)
168:     bond    (-12.136,  26.876, -35.755)  (-12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
168:     angle   ( -0.007,   0.078,   0.012)  ( -0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
168:     strbnd  (-12.414,  17.157, -20.001)  (-12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.017,   0.014,  -0.020)  (  0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.005,   0.002,  -0.006)  (  0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (-14.019,   3.164,   3.556)  (-14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  6       (-38.554, -47.306, -52.215)  (-38.549, -47.297, -52.209)  ( 0.01,  0.02,  0.01)
168:     bond    (-12.136, -26.884, -35.755)  (-12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
168:     angle   ( -0.007,  -0.081,   0.012)  ( -0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
168:     strbnd  (-12.414, -17.160, -20.001)  (-12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.017,  -0.014,  -0.020)  (  0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.005,  -0.002,  -0.006)  (  0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (-14.019,  -3.165,   3.556)  (-14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  7       (-75.934,  23.900,  -8.357)  (-75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
168:     bond    (-43.264,   7.487, -14.578)  (-43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
168:     angle   (  0.075,   0.026,  -0.013)  (  0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
168:     strbnd  (-27.652,   7.696,  -4.671)  (-27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
168:     torsion (  0.017,   0.018,   0.030)  (  0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.004,   0.006,   0.012)  (  0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.113,   8.667,  10.865)  ( -5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  8       (-75.934, -23.913,  -8.357)  (-75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
168:     bond    (-43.264,  -7.494, -14.578)  (-43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
168:     angle   (  0.075,  -0.029,  -0.013)  (  0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
168:     strbnd  (-27.652,  -7.698,  -4.671)  (-27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
168:     torsion (  0.017,  -0.018,   0.030)  (  0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.004,  -0.006,   0.012)  (  0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.113,  -8.667,  10.865)  ( -5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  9       ( 47.292,  52.205,  38.542)  ( 47.297,  52.209,  38.549)  ( 0.01,  0.01,  0.02)
168:     bond    ( 26.876,  35.751,  12.130)  ( 26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
168:     angle   (  0.078,  -0.014,   0.005)  (  0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( 17.157,  20.000,  12.412)  ( 17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
168:     torsion (  0.014,   0.019,  -0.017)  (  0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.002,   0.006,  -0.006)  (  0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.164,  -3.556,  14.019)  (  3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 10       (  8.348,  75.919,  23.900)  (  8.353,  75.928,  23.905)  ( 0.06,  0.01,  0.02)
168:     bond    ( 14.575,  43.256,   7.487)  ( 14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
168:     angle   (  0.011,  -0.077,   0.026)  (  0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
168:     strbnd  (  4.670,  27.650,   7.696)  (  4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
168:     torsion ( -0.031,  -0.018,   0.018)  ( -0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.012,  -0.004,   0.006)  ( -0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (-10.865,   5.113,   8.667)  (-10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 11       (  8.348, -75.934,  23.900)  (  8.353, -75.928,  23.905)  ( 0.06,  0.01,  0.02)
168:     bond    ( 14.575, -43.264,   7.487)  ( 14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
168:     angle   (  0.011,   0.075,   0.026)  (  0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
168:     strbnd  (  4.670, -27.652,   7.696)  (  4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
168:     torsion ( -0.031,   0.017,   0.018)  ( -0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.012,   0.004,   0.006)  ( -0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (-10.865,  -5.113,   8.667)  (-10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 12       ( 47.292, -52.215,  38.542)  ( 47.297, -52.209,  38.549)  ( 0.01,  0.01,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cem_avd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cen_fxa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cf6_sp1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cf9_agi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cfl_5ch.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cgf_jnf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cgo_jno.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ch6_311.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ch9_xrg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3chc_zrg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3chd_wrg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cho_4bg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3chp_4bo.sdf
170: 24       (-59.522,  73.111, -61.491)  (-59.480,  73.147, -61.474)  ( 0.07,  0.05,  0.03)
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170:     angle   (-73.912, 231.350, -63.017)  (-73.899, 231.367, -63.008)  ( 0.02,  0.01,  0.01)
170:     torsion ( -1.153,  -2.884, -31.550)  ( -1.153,  -2.883, -31.544)  ( 0.07,  0.07,  0.02)
170:     oop     ( -0.002,   0.011,   0.067)  ( -0.002,   0.008,   0.050)  ( 0.00,  0.00,  0.11)
170:     vdw     ( 16.968, -28.077,   7.357)  ( 16.969, -28.076,   7.357)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 25       ( -9.675,   6.016, -13.876)  ( -9.641,   6.050, -13.844)  ( 0.35,  0.57,  0.23)
170:     bond    (-21.693, 101.511, -10.537)  (-21.673, 101.529, -10.518)  ( 0.09,  0.02,  0.17)
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170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 26       (-66.360,  63.008, 151.800)  (-66.326,  63.047, 151.841)  ( 0.05,  0.06,  0.03)
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170:     torsion ( -4.548,  -7.157,  32.760)  ( -4.547,  -7.156,  32.761)  ( 0.01,  0.02,  0.01)
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170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 27       ( -3.335,  28.070,  31.883)  ( -3.302,  28.101,  31.915)  ( 1.00,  0.11,  0.10)
170:     bond    ( -2.543, 116.577,  10.472)  ( -2.523, 116.596,  10.490)  ( 0.81,  0.02,  0.17)
170:     angle   (-14.795, -77.489, -16.820)  (-14.784, -77.477, -16.808)  ( 0.08,  0.02,  0.07)
170:     torsion (  3.122, -17.800,  28.898)  (  3.123, -17.799,  28.899)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 10.881,   6.781,   9.333)  ( 10.882,   6.781,   9.333)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 28       (-24.969, -88.911, 251.020)  (-24.932, -88.876, 251.061)  ( 0.15,  0.04,  0.02)
170:     bond    ( 27.243, -89.704, 157.951)  ( 27.263, -89.683, 157.978)  ( 0.08,  0.02,  0.02)
170:     angle   (-61.752,   2.506,  67.387)  (-61.736,   2.520,  67.401)  ( 0.03,  0.56,  0.02)
170:     torsion ( 16.304,   4.570,  25.812)  ( 16.305,   4.570,  25.813)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -6.765,  -6.283,  -0.131)  ( -6.764,  -6.283,  -0.131)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 29       (121.830, 139.624,   6.344)  (121.601, 140.012,   6.557)  ( 0.19,  0.28,  3.36)
170:     bond    ( 53.237, 119.656,  38.714)  ( 53.256, 119.676,  38.733)  ( 0.04,  0.02,  0.05)
170:     angle   ( 33.866,  64.258, -10.453)  ( 33.877,  64.269, -10.439)  ( 0.03,  0.02,  0.14)
170:     torsion ( 11.309, -24.297,  36.020)  ( 11.309, -24.296,  36.020)  ( 0.00,  0.00,  0.00)
170:     oop     (  2.504,  -3.437,  -1.712)  (  2.244,  -3.079,  -1.533)  (10.38, 10.39, 10.43)
170:     vdw     ( 20.914, -16.557, -56.225)  ( 20.915, -16.557, -56.224)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 30       (-634.732, -306.472, -606.488)  (-632.744, -308.968, -607.724)  ( 0.31,  0.81,  0.20)
170:     bond    (-277.869,  75.610, -564.058)  (-277.851,  75.624, -564.017)  ( 0.01,  0.02,  0.01)
170:     angle   (-406.214, -378.621,   3.969)  (-406.199, -378.612,   3.979)  ( 0.00,  0.00,  0.23)
170:     torsion (  7.598,  -8.679,  14.394)  (  7.598,  -8.679,  14.394)  ( 0.00,  0.01,  0.00)
170:     oop     ( -9.905,  13.111,   6.630)  ( -7.950,  10.593,   5.341)  (19.74, 19.21, 19.44)
170:     vdw     ( 51.658,  -7.894, -67.422)  ( 51.659,  -7.894, -67.421)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 31       (255.888, -20.863, 326.222)  (255.033, -19.748, 326.821)  ( 0.33,  5.34,  0.18)
170:     bond    (-25.278, -142.548, 236.213)  (-25.277, -142.539, 236.238)  ( 0.01,  0.01,  0.01)
170:     angle   (245.224, 135.470, 107.978)  (245.229, 135.472, 107.978)  ( 0.00,  0.00,  0.00)
170:     torsion ( 16.660, -22.922, -12.048)  ( 16.659, -22.923, -12.048)  ( 0.00,  0.00,  0.00)
170:     oop     (  3.710,  -4.857,  -2.534)  (  2.848,  -3.754,  -1.960)  (23.23, 22.71, 22.63)
170:     vdw     ( 15.572,  13.995,  -3.387)  ( 15.573,  13.995,  -3.387)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 32       (714.427, 258.670, -21.571)  (713.613, 259.733, -21.011)  ( 0.11,  0.41,  2.60)
170:     bond    (224.614,   7.051, 333.105)  (224.621,   7.049, 333.121)  ( 0.00,  0.02,  0.01)
170:     angle   (185.180, 209.834, -129.309)  (185.184, 209.837, -129.308)  ( 0.00,  0.00,  0.00)
170:     torsion (-17.793,  24.359,  11.482)  (-17.793,  24.359,  11.482)  ( 0.00,  0.00,  0.00)
170:     oop     (  3.689,  -4.821,  -2.386)  (  2.858,  -3.759,  -1.847)  (22.53, 22.02, 22.57)
170:     vdw     (318.736,  22.247, -234.463)  (318.744,  22.246, -234.459)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 33       ( 71.242, -142.602,  -9.270)  ( 71.247, -142.570,  -9.245)  ( 0.01,  0.02,  0.27)
170:     bond    ( -6.359, -151.413, -79.773)  ( -6.359, -151.384, -79.756)  ( 0.00,  0.02,  0.02)
170:     angle   ( 74.980, -19.554,  66.012)  ( 74.984, -19.551,  66.020)  ( 0.01,  0.01,  0.01)
170:     torsion ( -8.427,   9.675,  -6.479)  ( -8.427,   9.676,  -6.479)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 11.049,  18.689,  10.970)  ( 11.050,  18.690,  10.970)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 34       (-57.580,  58.619, -138.104)  (-57.548,  58.623, -138.077)  ( 0.06,  0.01,  0.02)
170:     bond    (-63.307,   3.061, -175.086)  (-63.282,   3.062, -175.065)  ( 0.04,  0.04,  0.01)
170:     angle   ( 11.175,   1.052,   6.951)  ( 11.181,   1.055,   6.956)  ( 0.05,  0.32,  0.08)
170:     torsion ( -3.889,  38.685,   2.208)  ( -3.889,  38.685,   2.208)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.559,  15.821,  27.823)  ( -1.558,  15.821,  27.823)  ( 0.05,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 35       ( 12.880,  -1.499,  -9.262)  ( 12.896,  -1.500,  -9.241)  ( 0.13,  0.08,  0.23)
170:     bond    ( 16.396,  -0.223,  -1.751)  ( 16.411,  -0.223,  -1.751)  ( 0.09,  0.00,  0.01)
170:     angle   ( -0.183,  -3.658,  -1.246)  ( -0.183,  -3.654,  -1.246)  ( 0.00,  0.10,  0.03)
170:     torsion ( -0.658,   2.290,  -6.462)  ( -0.658,   2.290,  -6.457)  ( 0.00,  0.03,  0.07)
170:     oop     ( -0.010,   0.033,  -0.096)  ( -0.008,   0.028,  -0.080)  ( 0.00,  0.02,  0.16)
170:     vdw     ( -2.666,   0.060,   0.293)  ( -2.666,   0.060,   0.293)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 36       (  1.682, -17.045,   4.237)  (  1.691, -17.045,   4.278)  ( 0.55,  0.00,  0.97)
170:     bond    (  7.488, -13.781,  -5.274)  (  7.491, -13.770,  -5.272)  ( 0.04,  0.08,  0.03)
170:     angle   ( -4.769,  -2.422,  -0.447)  ( -4.766,  -2.421,  -0.447)  ( 0.07,  0.03,  0.00)
170:     torsion (  0.762,  -3.146,   9.292)  (  0.762,  -3.145,   9.297)  ( 0.00,  0.02,  0.05)
170:     oop     ( -0.016,   0.071,  -0.208)  ( -0.013,   0.059,  -0.173)  ( 0.00,  0.08,  0.73)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3chq_4bq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3chr_4bs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3chs_4bu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cj0_sx2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cj2_sx3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cj3_sx4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cj4_sx5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cj5_sx6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cjf_sav.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cjg_kim.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cjo_k30.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cjt_2mm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cke_fdf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cld_gw6.sdf
166:     angle   ( 12.954, -19.869, -14.929)  ( 12.955, -19.869, -14.929)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  1.489,  -2.332,   4.677)  (  1.489,  -2.332,   4.677)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.247,  -0.126,   0.015)  ( -0.247,  -0.126,   0.015)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.851,   1.721,   2.920)  ( -0.851,   1.721,   2.920)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 24       ( 14.540,  -7.004, -26.289)  ( 14.541,  -7.001, -26.288)  ( 0.01,  0.04,  0.00)
166:     bond    ( -4.182,  -9.280,  -1.526)  ( -4.182,  -9.277,  -1.526)  ( 0.01,  0.03,  0.01)
166:     angle   ( 17.244,  -3.364, -26.810)  ( 17.244,  -3.364, -26.810)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  2.112,   4.668,   0.929)  (  2.112,   4.668,   0.929)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.199,  -0.107,   0.107)  (  0.199,  -0.107,   0.107)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.832,   1.079,   1.011)  ( -0.832,   1.079,   1.011)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 25       ( -2.146,  11.421,  -4.557)  ( -2.080,  11.484,  -4.381)  ( 3.09,  0.55,  3.87)
166:     bond    ( -0.517,  -0.905,   0.501)  ( -0.517,  -0.903,   0.502)  ( 0.04,  0.21,  0.04)
166:     angle   ( -5.394,   1.536,  -2.786)  ( -5.394,   1.537,  -2.786)  ( 0.01,  0.01,  0.00)
166:     strbnd  (  4.247,   7.387,  -3.525)  (  4.247,   7.387,  -3.525)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.245,   2.897,   3.928)  ( -1.245,   2.897,   3.928)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.602,  -0.657,  -1.800)  ( -0.537,  -0.596,  -1.625)  ( 3.91,  3.97,  9.75)
166:     vdw     (  1.342,   0.777,  -0.631)  (  1.342,   0.777,  -0.631)  ( 0.00,  0.00,  0.00)
166:     electro (  0.023,   0.386,  -0.243)  (  0.023,   0.386,  -0.243)  ( 0.00,  0.00,  0.00)
166: 26       (  8.264,  -9.314, -14.985)  (  7.913,  -9.070, -14.378)  ( 4.25,  2.62,  4.05)
166:     bond    (  0.510,   0.130,   0.247)  (  0.513,   0.130,   0.248)  ( 0.15,  0.00,  0.02)
166:     angle   ( -0.687,  -4.473,   3.772)  ( -0.687,  -4.472,   3.772)  ( 0.00,  0.01,  0.00)
166:     strbnd  ( -3.764,  -0.803,  -0.766)  ( -3.764,  -0.803,  -0.766)  ( 0.00,  0.00,  0.01)
166:     torsion (  8.777,  -3.424, -16.387)  (  8.777,  -3.424, -16.387)  ( 0.00,  0.00,  0.00)
166:     oop     (  1.606,  -0.922,  -2.844)  (  1.252,  -0.679,  -2.237)  (22.07, 22.40, 21.34)
166:     vdw     (  1.106,  -0.058,   0.139)  (  1.106,  -0.058,   0.139)  ( 0.00,  0.00,  0.00)
166:     electro (  0.715,   0.236,   0.855)  (  0.715,   0.236,   0.855)  ( 0.00,  0.00,  0.00)
166: 27       ( -9.529,  -0.985,   0.936)  ( -8.994,  -0.277,   0.839)  ( 5.61, 69.82,  9.15)
166:     bond    ( -0.257,   0.039,  -1.081)  ( -0.257,   0.039,  -1.078)  ( 0.01,  0.00,  0.33)
166:     angle   ( -2.751,   5.638,   0.859)  ( -2.751,   5.638,   0.859)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( -0.092,   0.684,  -4.568)  ( -0.092,   0.685,  -4.568)  ( 0.00,  0.00,  0.00)
166:     torsion ( -4.710,  -4.641,   0.953)  ( -4.710,  -4.641,   0.953)  ( 0.00,  0.00,  0.00)
166:     oop     ( -2.117,  -3.288,   0.385)  ( -1.584,  -2.580,   0.284)  (25.20, 21.55,  3.90)
166:     vdw     ( -0.554,   0.339,   2.803)  ( -0.554,   0.339,   2.803)  ( 0.00,  0.00,  0.00)
166:     electro (  0.953,   0.243,   1.585)  (  0.953,   0.243,   1.585)  ( 0.00,  0.00,  0.00)
166: 28       (-35.688,  35.118, -12.756)  (-35.489,  35.165, -12.454)  ( 0.56,  0.13,  2.37)
166:     bond    ( -0.608,  -0.110,   0.410)  ( -0.606,  -0.110,   0.411)  ( 0.16,  0.00,  0.05)
166:     angle   (-20.084,  33.989, -20.477)  (-20.083,  33.989, -20.477)  ( 0.00,  0.00,  0.00)
166:     strbnd  (-11.144,  -1.712,   8.116)  (-11.144,  -1.712,   8.116)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.403,   5.730,  -0.531)  ( -1.403,   5.730,  -0.531)  ( 0.00,  0.00,  0.00)
166:     oop     ( -1.298,  -1.456,  -2.303)  ( -1.102,  -1.410,  -2.002)  (15.09,  3.14, 13.07)
166:     vdw     ( -0.679,  -1.424,   2.000)  ( -0.679,  -1.424,   2.000)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.472,   0.102,   0.028)  ( -0.472,   0.102,   0.028)  ( 0.00,  0.00,  0.00)
166: 29       (  6.269,   4.842,  17.665)  (  6.271,   4.844,  17.666)  ( 0.04,  0.03,  0.00)
166:     bond    ( 13.347,   7.815,   1.928)  ( 13.349,   7.816,   1.928)  ( 0.02,  0.01,  0.01)
166:     angle   ( -3.942,   1.678,  20.486)  ( -3.942,   1.679,  20.487)  ( 0.01,  0.03,  0.00)
166:     strbnd  ( -1.485,  -0.391,  -0.372)  ( -1.485,  -0.391,  -0.372)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.296,   0.484,   0.090)  ( -0.296,   0.484,   0.090)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.355,  -4.745,  -4.467)  ( -1.355,  -4.744,  -4.467)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 30       ( -8.350,   0.131,  25.967)  ( -8.349,   0.134,  25.968)  ( 0.01,  0.04,  0.00)
166:     bond    ( -1.481,  11.557,   2.165)  ( -1.481,  11.560,   2.165)  ( 0.01,  0.03,  0.01)
166:     angle   ( -9.788,  -6.150,  26.139)  ( -9.788,  -6.150,  26.139)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  0.626,  -4.365,  -1.021)  (  0.626,  -4.365,  -1.021)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.782,   0.049,   0.957)  (  1.782,   0.049,   0.957)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.511,  -0.961,  -2.273)  (  0.511,  -0.961,  -2.273)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 31       (-14.899,  11.820,  16.748)  (-14.898,  11.820,  16.750)  ( 0.01,  0.01,  0.01)
166:     bond    (  5.176,  -2.757,  10.225)  (  5.177,  -2.757,  10.227)  ( 0.01,  0.01,  0.02)
166:     angle   (-19.241,  13.946,  13.498)  (-19.241,  13.947,  13.498)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( -2.072,   1.072,  -4.471)  ( -2.072,   1.072,  -4.471)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.541,   0.941,  -0.020)  (  0.541,   0.941,  -0.020)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.698,  -1.382,  -2.484)  (  0.698,  -1.382,  -2.484)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 32       ( -4.993,  10.176,  24.023)  ( -4.991,  10.177,  24.024)  ( 0.05,  0.01,  0.00)
166:     bond    (-10.690,  -3.803,   2.337)  (-10.687,  -3.803,   2.338)  ( 0.02,  0.01,  0.01)
166:     angle   (  0.606,  13.614,  24.917)  (  0.606,  13.614,  24.917)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  3.553,   1.168,  -0.972)  (  3.553,   1.168,  -0.972)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.030,   0.061,  -0.037)  ( -0.030,   0.061,  -0.037)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.567,  -0.863,  -2.222)  (  1.567,  -0.863,  -2.222)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 33       ( 19.334, -14.895, -24.368)  ( 19.332, -14.890, -24.369)  ( 0.01,  0.03,  0.00)
166:     bond    ( -4.753, -12.511,   5.560)  ( -4.753, -12.507,   5.561)  ( 0.01,  0.03,  0.01)
166:     angle   ( 21.861, -17.415, -20.481)  ( 21.860, -17.414, -20.482)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  2.809,   8.054,  -3.331)  (  2.809,   8.054,  -3.331)  ( 0.00,  0.00,  0.00)
166:     torsion ( -6.332,  -0.435,  -6.389)  ( -6.334,  -0.435,  -6.390)  ( 0.02,  0.00,  0.02)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.007,   0.074,  -0.052)  (  0.007,   0.074,  -0.052)  ( 0.00,  0.00,  0.00)
166:     electro (  5.743,   7.338,   0.326)  (  5.743,   7.338,   0.326)  ( 0.00,  0.00,  0.00)
166: ok 30 # gradients 
166: ok 31 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cm2_x23.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cm7_x22.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cmp_dbh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cmp_eb4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cn8_spd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cnp_sp7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cns_sp8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cnt_sp9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3co9_3ms.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3coh_83h.sdf
170:     vdw     ( -1.782,   2.233,   0.873)  ( -1.782,   2.233,   0.873)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 37       (-13.474, -16.279,   2.644)  (-13.472, -16.245,   2.585)  ( 0.02,  0.21,  2.24)
170:     bond    ( -8.186, -13.103,  -3.777)  ( -8.182, -13.093,  -3.776)  ( 0.05,  0.08,  0.02)
170:     angle   ( 16.163,  -8.868,  -4.283)  ( 16.166,  -8.867,  -4.283)  ( 0.02,  0.01,  0.01)
170:     torsion (  1.541,  -5.826,  16.856)  (  1.541,  -5.826,  16.860)  ( 0.00,  0.01,  0.03)
170:     oop     (  0.033,  -0.137,   0.403)  (  0.028,  -0.115,   0.337)  ( 0.02,  0.30,  2.62)
170:     vdw     (-23.026,  11.655,  -6.553)  (-23.025,  11.655,  -6.553)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 38       (  1.702,  16.175, -14.981)  (  1.724,  16.112, -14.751)  ( 1.32,  0.39,  1.54)
170:     bond    ( -5.820,  11.039,   4.124)  ( -5.817,  11.050,   4.125)  ( 0.05,  0.10,  0.04)
170:     angle   ( 12.767,   6.308,   1.110)  ( 12.770,   6.308,   1.110)  ( 0.03,  0.01,  0.00)
170:     torsion ( -1.134,   5.864, -17.312)  ( -1.134,   5.864, -17.307)  ( 0.00,  0.01,  0.03)
170:     oop     ( -0.098,   0.449,  -1.342)  ( -0.082,   0.374,  -1.117)  ( 0.16,  3.39, 16.73)
170:     vdw     ( -4.012,  -7.485,  -1.562)  ( -4.012,  -7.485,  -1.562)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 39       (  7.581,  16.776, -20.433)  (  7.594,  16.772, -20.382)  ( 0.16,  0.02,  0.25)
170:     bond    (  8.737,  13.297,   3.406)  (  8.741,  13.307,   3.407)  ( 0.05,  0.08,  0.02)
170:     angle   (  2.916,  -1.685,  -0.910)  (  2.919,  -1.685,  -0.910)  ( 0.10,  0.06,  0.02)
170:     torsion ( -2.476,   7.286, -22.114)  ( -2.476,   7.286, -22.110)  ( 0.00,  0.01,  0.02)
170:     oop     ( -0.031,   0.090,  -0.274)  ( -0.026,   0.076,  -0.229)  ( 0.02,  0.13,  1.23)
170:     vdw     ( -1.565,  -2.212,  -0.540)  ( -1.565,  -2.212,  -0.540)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 40       ( 32.749,  16.958, -149.806)  ( 32.672,  16.278, -149.079)  ( 0.23,  4.01,  0.49)
170:     bond    ( 33.459, -55.246, -49.387)  ( 33.463, -55.235, -49.378)  ( 0.01,  0.02,  0.02)
170:     angle   (-26.229,  -1.697, -15.875)  (-26.224,  -1.697, -15.874)  ( 0.02,  0.03,  0.01)
170:     torsion ( 34.711,  62.839, -46.773)  ( 34.711,  62.841, -46.772)  ( 0.00,  0.00,  0.00)
170:     oop     (  0.596,   4.195,  -4.289)  (  0.509,   3.503,  -3.573)  ( 5.14, 16.51, 16.70)
170:     vdw     ( -9.787,   6.866, -33.483)  ( -9.786,   6.867, -33.482)  ( 0.01,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 41       (-65.197, -69.425, -57.284)  (-65.175, -69.429, -57.385)  ( 0.03,  0.01,  0.18)
170:     bond    ( 10.154,  -5.855,   1.667)  ( 10.165,  -5.852,   1.667)  ( 0.11,  0.06,  0.01)
170:     angle   (-38.237, -64.749,   5.881)  (-38.236, -64.745,   5.881)  ( 0.00,  0.01,  0.00)
170:     torsion (  7.173, -12.413, -87.325)  (  7.173, -12.413, -87.319)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.035,   0.067,   0.450)  ( -0.027,   0.051,   0.343)  ( 0.03,  0.10,  4.83)
170:     vdw     (-44.252,  13.526,  22.043)  (-44.251,  13.530,  22.043)  ( 0.00,  0.03,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 42       ( 12.007,   0.809, -50.538)  ( 12.023,   0.815, -50.506)  ( 0.13,  0.46,  0.06)
170:     bond    (  0.960,  -0.653,  -0.220)  (  0.970,  -0.649,  -0.219)  ( 0.96,  0.29,  0.01)
170:     angle   ( 19.290,  28.705,   0.377)  ( 19.291,  28.708,   0.377)  ( 0.01,  0.01,  0.00)
170:     torsion (-10.675,   8.352, -71.968)  (-10.675,   8.352, -71.964)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.024,   0.019,  -0.163)  ( -0.020,   0.016,  -0.137)  ( 0.01,  0.01,  0.43)
170:     vdw     (  2.457, -35.613,  21.436)  (  2.457, -35.612,  21.436)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 43       ( 12.317,   5.787,  17.733)  ( 12.331,   5.792,  17.749)  ( 0.12,  0.08,  0.09)
170:     bond    ( 14.478,   6.220,  -0.840)  ( 14.490,   6.223,  -0.840)  ( 0.09,  0.04,  0.01)
170:     angle   ( -1.288,   3.054,   0.437)  ( -1.288,   3.058,   0.437)  ( 0.05,  0.11,  0.00)
170:     torsion (  1.897,  -1.940,  18.353)  (  1.897,  -1.940,  18.358)  ( 0.00,  0.00,  0.03)
170:     oop     ( -0.007,   0.007,  -0.068)  ( -0.006,   0.006,  -0.057)  ( 0.00,  0.00,  0.08)
170:     vdw     ( -2.763,  -1.555,  -0.150)  ( -2.763,  -1.555,  -0.150)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 44       ( -4.598,  11.285,  10.406)  ( -4.591,  11.297,  10.440)  ( 0.16,  0.10,  0.33)
170:     bond    (  1.748,  14.035,   1.261)  (  1.748,  14.050,   1.262)  ( 0.02,  0.10,  0.01)
170:     angle   ( -6.788,   0.776,   0.761)  ( -6.784,   0.776,   0.761)  ( 0.06,  0.00,  0.00)
170:     torsion (  0.817,  -0.896,   8.840)  (  0.817,  -0.896,   8.845)  ( 0.00,  0.01,  0.06)
170:     oop     ( -0.016,   0.017,  -0.169)  ( -0.014,   0.014,  -0.140)  ( 0.00,  0.01,  0.49)
170:     vdw     ( -0.359,  -2.647,  -0.287)  ( -0.358,  -2.647,  -0.287)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 45       (-18.905,   0.809, -12.324)  (-18.899,   0.821, -12.374)  ( 0.03,  1.03,  0.41)
170:     bond    (-14.221,  10.344,   2.191)  (-14.211,  10.350,   2.191)  ( 0.07,  0.05,  0.01)
170:     angle   ( -5.224,  -7.145,  -0.135)  ( -5.222,  -7.142,  -0.135)  ( 0.03,  0.04,  0.00)
170:     torsion ( -1.335,   1.208, -14.366)  ( -1.335,   1.208, -14.361)  ( 0.00,  0.00,  0.04)
170:     oop     (  0.031,  -0.028,   0.331)  (  0.026,  -0.023,   0.275)  ( 0.02,  0.01,  1.85)
170:     vdw     (  1.844,  -3.571,  -0.344)  (  1.844,  -3.571,  -0.344)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 46       (-28.919, -53.589, -18.437)  (-28.911, -53.576, -18.487)  ( 0.02,  0.02,  0.27)
170:     bond    (-13.365,  -4.730,   1.249)  (-13.352,  -4.729,   1.249)  ( 0.10,  0.04,  0.01)
170:     angle   (-15.396,  44.841,   5.200)  (-15.395,  44.844,   5.200)  ( 0.00,  0.01,  0.00)
170:     torsion ( -0.655,   0.154,  -6.424)  ( -0.655,   0.154,  -6.419)  ( 0.00,  0.00,  0.08)
170:     oop     (  0.042,  -0.025,   0.355)  (  0.036,  -0.022,   0.301)  ( 0.03,  0.01,  1.93)
170:     vdw     (  0.455, -93.828, -18.818)  (  0.455, -93.825, -18.818)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 47       (-26.566,  25.212, -28.839)  (-26.560,  25.217, -28.827)  ( 0.02,  0.02,  0.04)
170:     bond    (-11.055,  -3.483, -22.909)  (-11.053,  -3.483, -22.898)  ( 0.02,  0.00,  0.05)
170:     angle   ( -7.141,   8.375,   2.171)  ( -7.139,   8.379,   2.171)  ( 0.04,  0.04,  0.03)
170:     torsion ( -7.520,  25.795,  -0.294)  ( -7.519,  25.796,  -0.294)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.850,  -5.475,  -7.806)  ( -0.850,  -5.475,  -7.806)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 48       (-24.351, -25.990,   1.795)  (-24.340, -25.984,   1.798)  ( 0.05,  0.02,  0.15)
170:     bond    (-45.915, -22.615,  -5.946)  (-45.904, -22.612,  -5.946)  ( 0.02,  0.01,  0.00)
170:     angle   ( 15.706, -30.909,  -3.723)  ( 15.707, -30.907,  -3.721)  ( 0.00,  0.01,  0.06)
170:     torsion (  6.875, -19.736,  21.983)  (  6.875, -19.736,  21.983)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.017,  47.271, -10.519)  ( -1.016,  47.272, -10.519)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 49       ( 36.796,  11.520,  38.836)  ( 36.800,  11.522,  38.849)  ( 0.01,  0.02,  0.03)
170:     bond    ( 11.190,  -1.507,  41.064)  ( 11.191,  -1.507,  41.077)  ( 0.01,  0.01,  0.03)
170:     angle   ( 17.459, -15.585,  -5.329)  ( 17.462, -15.583,  -5.329)  ( 0.01,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cow_52h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3coy_53h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3coz_54h.sdf
171: ok 1
171: 1..1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cp6_rsx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cp9_c19.sdf
168:     bond    ( 26.876, -35.755,  12.130)  ( 26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
168:     angle   (  0.078,   0.012,   0.005)  (  0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( 17.157, -20.001,  12.412)  ( 17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
168:     torsion (  0.014,  -0.020,  -0.017)  (  0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.002,  -0.006,  -0.006)  (  0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.164,   3.556,  14.019)  (  3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 13       ( 52.205, -38.554, -47.306)  ( 52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
168:     bond    ( 35.751, -12.136, -26.884)  ( 35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
168:     angle   ( -0.014,  -0.007,  -0.081)  ( -0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( 20.000, -12.414, -17.160)  ( 20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
168:     torsion (  0.019,   0.017,  -0.014)  (  0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.006,   0.005,  -0.002)  (  0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.556, -14.019,  -3.165)  ( -3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 14       (-23.913,   8.348, -75.934)  (-23.905,   8.353, -75.928)  ( 0.03,  0.06,  0.01)
168:     bond    ( -7.494,  14.575, -43.264)  ( -7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
168:     angle   ( -0.029,   0.011,   0.075)  ( -0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( -7.698,   4.670, -27.652)  ( -7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.018,  -0.031,   0.017)  ( -0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.006,  -0.012,   0.004)  ( -0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -8.667, -10.865,  -5.113)  ( -8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 15       ( 52.205, -38.554,  47.292)  ( 52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
168:     bond    ( 35.751, -12.136,  26.876)  ( 35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
168:     angle   ( -0.014,  -0.007,   0.078)  ( -0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( 20.000, -12.414,  17.157)  ( 20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
168:     torsion (  0.019,   0.017,   0.014)  (  0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.006,   0.005,   0.002)  (  0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.556, -14.019,   3.164)  ( -3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 16       (-70.710,  37.607,  -0.007)  (-70.701,  37.611,  -0.000)  ( 0.01,  0.01,  0.00)
168:     bond    (-34.133,  31.159,  -0.003)  (-34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
168:     angle   ( -0.024,   0.050,  -0.002)  ( -0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
168:     strbnd  (-24.743,  15.275,  -0.001)  (-24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.006,   0.020,  -0.000)  (  0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.005,   0.010,  -0.000)  (  0.005,   0.011,  -0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (-11.821,  -8.908,  -0.000)  (-11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 17       ( 38.542, -47.306, -52.215)  ( 38.549, -47.297, -52.209)  ( 0.02,  0.02,  0.01)
168:     bond    ( 12.130, -26.884, -35.755)  ( 12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
168:     angle   (  0.005,  -0.081,   0.012)  (  0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
168:     strbnd  ( 12.412, -17.160, -20.001)  ( 12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.017,  -0.014,  -0.020)  ( -0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.006,  -0.002,  -0.006)  ( -0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 14.019,  -3.165,   3.556)  ( 14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 18       (-47.306,  52.205,  38.542)  (-47.297,  52.209,  38.549)  ( 0.02,  0.01,  0.02)
168:     bond    (-26.884,  35.751,  12.130)  (-26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
168:     angle   ( -0.081,  -0.014,   0.005)  ( -0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
168:     strbnd  (-17.160,  20.000,  12.412)  (-17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
168:     torsion ( -0.014,   0.019,  -0.017)  ( -0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.002,   0.006,  -0.006)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.165,  -3.556,  14.019)  ( -3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 19       (-23.913,   8.348,  75.919)  (-23.905,   8.353,  75.928)  ( 0.03,  0.06,  0.01)
168:     bond    ( -7.494,  14.575,  43.256)  ( -7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
168:     angle   ( -0.029,   0.011,  -0.077)  ( -0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( -7.698,   4.670,  27.650)  ( -7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.018,  -0.031,  -0.018)  ( -0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.006,  -0.012,  -0.004)  ( -0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -8.667, -10.865,   5.113)  ( -8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 20       ( 23.900,   8.348, -75.934)  ( 23.905,   8.353, -75.928)  ( 0.02,  0.06,  0.01)
168:     bond    (  7.487,  14.575, -43.264)  (  7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
168:     angle   (  0.026,   0.011,   0.075)  (  0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
168:     strbnd  (  7.696,   4.670, -27.652)  (  7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.018,  -0.031,   0.017)  (  0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.006,  -0.012,   0.004)  (  0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     (  8.667, -10.865,  -5.113)  (  8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 21       ( 38.542,  47.292, -52.215)  ( 38.549,  47.297, -52.209)  ( 0.02,  0.01,  0.01)
168:     bond    ( 12.130,  26.876, -35.755)  ( 12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
168:     angle   (  0.005,   0.078,   0.012)  (  0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
168:     strbnd  ( 12.412,  17.157, -20.001)  ( 12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.017,   0.014,  -0.020)  ( -0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.006,   0.002,  -0.006)  ( -0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 14.019,   3.164,   3.556)  ( 14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 22       ( 37.607,  -0.007,  70.694)  ( 37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
168:     bond    ( 31.159,  -0.003,  34.123)  ( 31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
168:     angle   (  0.050,  -0.002,   0.021)  (  0.051,   0.000,   0.022)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( 15.275,  -0.001,  24.741)  ( 15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.020,  -0.000,  -0.007)  (  0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.010,  -0.000,  -0.005)  (  0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -8.908,  -0.000,  11.821)  ( -8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 23       ( 52.205,  38.542, -47.306)  ( 52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
168:     bond    ( 35.751,  12.130, -26.884)  ( 35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cpb_c92.sdf
165/208 Test #171: test_formalcharge_1 ..............   Passed    0.19 sec
test 173
        Start 173: test_formula_1
173: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "formula" "1"
173: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
173: Environment variables: 
173:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
173:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
173: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cpc_c52.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cpo_fp2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cqe_p91.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cqu_cqu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cqw_cqw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cr0_809.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cr5_pnt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3crb_cou.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cs4_cov.sdf
166:  1       ( -0.255,  -0.617,   1.068)  ( -0.201,  -0.530,   0.886)  ( 1.38,  5.33, 17.03)
166:     bond    (  6.922,   0.175,   2.287)  (  6.926,   0.180,   2.292)  ( 0.06,  0.08,  0.20)
166:     angle   ( -5.931,   2.410,   0.271)  ( -5.930,   2.412,   0.272)  ( 0.03,  0.08,  0.04)
166:     strbnd  (  0.198,   0.872,   0.213)  (  0.197,   0.872,   0.213)  ( 0.01,  0.04,  0.01)
166:     torsion (  0.468,  -0.938,  -1.518)  (  0.468,  -0.938,  -1.518)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.334,  -0.538,   1.283)  ( -0.285,  -0.457,   1.096)  ( 1.63,  4.32, 14.61)
166:     vdw     ( -0.832,  -1.739,  -0.997)  ( -0.832,  -1.739,  -0.997)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.746,  -0.859,  -0.471)  ( -0.746,  -0.859,  -0.471)  ( 0.00,  0.00,  0.00)
166:  2       (  0.399,   1.062,  -2.385)  (  0.187,   0.693,  -1.476)  ( 8.42, 34.69, 38.11)
166:     bond    ( -2.739,   1.957,  -0.129)  ( -2.733,   1.965,  -0.128)  ( 0.24,  0.42,  0.02)
166:     angle   ( 14.443,  -7.136,   1.147)  ( 14.446,  -7.134,   1.148)  ( 0.02,  0.02,  0.06)
166:     strbnd  ( -7.334,   6.670,   1.385)  ( -7.335,   6.668,   1.385)  ( 0.01,  0.03,  0.02)
166:     torsion ( -0.041,   0.220,   0.015)  ( -0.041,   0.220,   0.016)  ( 0.00,  0.00,  0.00)
166:     oop     (  1.254,   2.136,  -5.164)  (  1.034,   1.760,  -4.257)  (17.50, 17.63, 17.56)
166:     vdw     ( -4.625,  -1.230,  -1.537)  ( -4.625,  -1.230,  -1.537)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.559,  -1.556,   1.897)  ( -0.559,  -1.556,   1.897)  ( 0.00,  0.00,  0.00)
166:  3       (  0.099,  -0.104,  -0.377)  (  0.100,  -0.101,  -0.376)  ( 0.01,  0.03,  0.02)
166:     bond    (  0.134,   0.394,  -0.032)  (  0.135,   0.397,  -0.032)  ( 0.00,  0.12,  0.00)
166:     angle   (  1.589,  -0.626,  -1.067)  (  1.590,  -0.626,  -1.067)  ( 0.03,  0.00,  0.04)
166:     strbnd  (  0.319,   0.162,   0.070)  (  0.319,   0.162,   0.070)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.213,   0.132,   0.739)  ( -0.213,   0.132,   0.739)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.730,  -0.167,  -0.086)  ( -1.730,  -0.167,  -0.086)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  4       (  0.072,   0.361,  -0.277)  (  0.073,   0.362,  -0.276)  ( 0.01,  0.05,  0.04)
166:     bond    (  0.230,  -0.232,  -0.242)  (  0.231,  -0.231,  -0.241)  ( 0.03,  0.03,  0.03)
166:     angle   (  3.596,   2.214,   1.320)  (  3.596,   2.214,   1.320)  ( 0.01,  0.01,  0.02)
166:     strbnd  (  0.657,  -0.379,  -0.320)  (  0.657,  -0.379,  -0.320)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.067,   0.385,  -0.305)  (  0.067,   0.385,  -0.305)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -4.478,  -1.627,  -0.730)  ( -4.478,  -1.627,  -0.730)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  5       ( -0.048,   0.159,   0.077)  ( -0.047,   0.160,   0.080)  ( 0.00,  0.01,  0.02)
166:     bond    (  0.002,  -0.007,   0.018)  (  0.002,  -0.007,   0.021)  ( 0.00,  0.00,  0.01)
166:     angle   (  0.435,  -0.097,  -0.074)  (  0.436,  -0.096,  -0.074)  ( 0.02,  0.00,  0.00)
166:     strbnd  (  0.316,  -0.158,   0.593)  (  0.316,  -0.158,   0.593)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.071,   0.501,   0.170)  ( -0.071,   0.501,   0.170)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.730,  -0.080,  -0.631)  ( -0.730,  -0.080,  -0.631)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  6       ( -0.044,  -0.320,   0.515)  (  0.046,  -0.160,   0.153)  ( 0.39,  5.13, 18.69)
166:     bond    ( -2.835,   3.345,   0.762)  ( -2.831,   3.350,   0.763)  ( 0.13,  0.16,  0.02)
166:     angle   ( -1.494,  -1.139,  -0.542)  ( -1.493,  -1.138,  -0.541)  ( 0.03,  0.02,  0.01)
166:     strbnd  (  7.239,  -8.454,  -1.930)  (  7.239,  -8.454,  -1.930)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.145,   0.220,  -0.431)  (  0.145,   0.220,  -0.431)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.410,  -0.742,   1.739)  ( -0.325,  -0.588,   1.376)  ( 3.49, 11.48, 20.89)
166:     vdw     ( -4.309,  -6.669,  -2.520)  ( -4.309,  -6.669,  -2.520)  ( 0.00,  0.00,  0.00)
166:     electro (  1.620,  13.118,   3.437)  (  1.620,  13.118,   3.437)  ( 0.00,  0.00,  0.00)
166:  7       ( -1.084,  -2.080,   4.678)  ( -0.929,  -1.820,   4.094)  (14.27, 12.52, 12.48)
166:     bond    ( 17.866,  -2.904,   4.744)  ( 17.871,  -2.899,   4.745)  ( 0.03,  0.18,  0.03)
166:     angle   ( -8.512,  -0.397,  -1.184)  ( -8.510,  -0.396,  -1.183)  ( 0.02,  0.07,  0.06)
166:     strbnd  (  0.437,  -1.121,  -0.832)  (  0.437,  -1.122,  -0.833)  ( 0.02,  0.06,  0.02)
166:     torsion ( -1.314,  -1.588,   4.757)  ( -1.314,  -1.588,   4.757)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.890,  -1.592,   3.617)  ( -0.742,  -1.338,   3.031)  (13.16, 15.96, 16.21)
166:     vdw     (  1.892,   2.121,   0.955)  (  1.893,   2.121,   0.955)  ( 0.01,  0.00,  0.00)
166:     electro (-10.563,   3.402,  -7.378)  (-10.563,   3.402,  -7.378)  ( 0.00,  0.00,  0.00)
166:  8       (  0.362,   0.876,  -1.744)  (  0.339,   0.818,  -1.626)  ( 0.81,  5.07,  6.74)
166:     bond    ( -1.088,   0.983,   0.272)  ( -1.086,   0.985,   0.272)  ( 0.24,  0.21,  0.00)
166:     angle   ( -1.860,  -1.398,  -2.356)  ( -1.859,  -1.398,  -2.356)  ( 0.02,  0.02,  0.01)
166:     strbnd  ( -0.431,   2.009,   1.109)  ( -0.431,   2.009,   1.109)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.185,   0.569,  -1.322)  (  0.185,   0.569,  -1.322)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.183,   0.439,  -0.858)  (  0.158,   0.378,  -0.741)  ( 0.46,  2.64, 10.05)
166:     vdw     (  1.404,   2.236,   1.130)  (  1.404,   2.236,   1.130)  ( 0.00,  0.00,  0.00)
166:     electro (  1.969,  -3.962,   0.282)  (  1.969,  -3.962,   0.282)  ( 0.00,  0.00,  0.00)
166:  9       ( -0.244,   0.022,  -1.499)  (  0.767,   0.942,  -1.037)  (24.71,  1.98, 30.81)
166:     bond    ( -7.812,  -8.638,  -5.588)  ( -7.808,  -8.633,  -5.586)  ( 0.05,  0.05,  0.04)
166:     angle   ( 12.778,  11.374,  19.741)  ( 12.780,  11.376,  19.743)  ( 0.02,  0.02,  0.01)
166:     strbnd  (  4.362,   3.842,  -7.340)  (  4.361,   3.842,  -7.341)  ( 0.02,  0.02,  0.01)
166:     torsion ( -1.339,  -2.456,  -4.051)  ( -1.339,  -2.456,  -4.051)  ( 0.00,  0.00,  0.00)
166:     oop     ( -4.053,  -4.498,  -2.741)  ( -3.047,  -3.584,  -2.283)  (24.82, 20.32, 16.71)
166:     vdw     (  0.230,   3.142,   1.240)  (  0.230,   3.143,   1.240)  ( 0.00,  0.00,  0.00)
166:     electro ( -4.410,  -2.746,  -2.761)  ( -4.410,  -2.746,  -2.761)  ( 0.00,  0.00,  0.00)
166: 10       ( -2.185,  -5.140,  -3.398)  ( -2.240,  -4.992,  -3.264)  ( 2.50,  2.89,  3.97)
166:     bond    ( -0.630,   1.775,  12.572)  ( -0.627,   1.778,  12.577)  ( 0.18,  0.16,  0.04)
166:     angle   (  6.045,   0.014, -16.923)  (  6.048,   0.016, -16.921)  ( 0.04,  0.00,  0.01)
166:     strbnd  ( -7.393,  -1.780,  -1.355)  ( -7.394,  -1.782,  -1.356)  ( 0.01,  0.08,  0.05)
166:     torsion ( -2.978,   1.047,  -0.463)  ( -2.978,   1.047,  -0.463)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.874,  -2.291,  -1.521)  ( -0.933,  -2.145,  -1.392)  ( 5.17,  6.34,  8.45)
166:     vdw     (  2.417,   3.304,   0.233)  (  2.417,   3.304,   0.233)  ( 0.00,  0.00,  0.00)
166:     electro (  1.227,  -7.208,   4.059)  (  1.227,  -7.208,   4.059)  ( 0.00,  0.00,  0.00)
166: 11       (  3.745,  17.929,   6.367)  (  4.378,  17.893,   6.474)  (16.89,  0.20,  1.69)
166:     bond    ( 10.742,   6.592,  -1.930)  ( 10.747,   6.594,  -1.926)  ( 0.05,  0.02,  0.18)
166:     angle   ( -4.937, -17.076,   7.817)  ( -4.936, -17.075,   7.819)  ( 0.04,  0.01,  0.03)
166:     strbnd  ( -1.830,  -0.656,   3.895)  ( -1.830,  -0.657,   3.894)  ( 0.03,  0.03,  0.01)
166:     torsion (  5.606,  14.261,  -6.736)  (  5.606,  14.261,  -6.736)  ( 0.00,  0.00,  0.00)
166:     oop     ( -1.916,   3.215,   0.391)  ( -1.291,   3.177,   0.494)  (32.66,  1.18,  4.02)
166:     vdw     ( -1.251,   1.961,   1.619)  ( -1.251,   1.961,   1.619)  ( 0.01,  0.00,  0.00)
166:     electro ( -2.668,   9.632,   1.310)  ( -2.668,   9.632,   1.309)  ( 0.00,  0.00,  0.00)
166: 12       ( -0.015,  -0.043,  -0.016)  ( -0.014,  -0.042,  -0.013)  ( 0.00,  0.01,  0.00)
173: # Testing molecular formulas...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cs6_0co.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3csj_cbl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cso_xni.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cth_319.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ctj_320.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ctt_3cu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cuf_9mr.sdf
170:     torsion ( 12.306,  23.863,  -2.477)  ( 12.306,  23.864,  -2.477)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -4.159,   4.748,   5.578)  ( -4.159,   4.748,   5.579)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 50       (-29.076,  33.154, -18.847)  (-29.072,  33.167, -18.843)  ( 0.01,  0.04,  0.02)
170:     bond    ( -5.456,  33.426,  -8.494)  ( -5.455,  33.439,  -8.494)  ( 0.00,  0.04,  0.01)
170:     angle   ( 32.312,   2.037, -12.737)  ( 32.315,   2.037, -12.735)  ( 0.01,  0.01,  0.02)
170:     torsion (-18.145,  -7.077, -16.210)  (-18.144,  -7.077, -16.209)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-37.788,   4.768,  18.595)  (-37.787,   4.768,  18.595)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 51       (-10.073,  11.672, -43.302)  (-10.064,  11.676, -43.294)  ( 0.08,  0.04,  0.02)
170:     bond    ( 31.678, -13.145, -36.411)  ( 31.683, -13.145, -36.404)  ( 0.02,  0.01,  0.02)
170:     angle   ( -1.895, -34.657,  10.864)  ( -1.893, -34.655,  10.865)  ( 0.07,  0.01,  0.01)
170:     torsion (  7.134,  -5.604,   8.233)  (  7.135,  -5.604,   8.233)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-46.990,  65.079, -25.988)  (-46.989,  65.080, -25.988)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 52       (-13.218,  31.397, -25.916)  (-13.213,  31.408, -25.912)  ( 0.04,  0.04,  0.01)
170:     bond    (-13.699,  29.311, -10.293)  (-13.697,  29.322, -10.292)  ( 0.02,  0.04,  0.01)
170:     angle   (-26.614,  -9.753,   7.628)  (-26.611,  -9.752,   7.630)  ( 0.01,  0.01,  0.02)
170:     torsion (  0.561,  -1.856,  -6.034)  (  0.561,  -1.856,  -6.034)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 26.533,  13.695, -17.217)  ( 26.534,  13.695, -17.217)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 53       (  4.736,  13.131,  39.313)  (  4.742,  13.134,  39.324)  ( 0.12,  0.03,  0.03)
170:     bond    ( 21.570,   8.503,  35.884)  ( 21.574,   8.504,  35.894)  ( 0.02,  0.00,  0.03)
170:     angle   ( -3.708, -26.999,   8.623)  ( -3.707, -26.997,   8.624)  ( 0.04,  0.01,  0.01)
170:     torsion ( -2.608,   2.873,   0.887)  ( -2.608,   2.873,   0.887)  ( 0.01,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.518,  28.753,  -6.080)  (-10.518,  28.754,  -6.080)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 54       ( 72.754,   0.873, -14.533)  ( 72.760,   0.880, -14.521)  ( 0.01,  0.58,  0.08)
170:     bond    (  1.977,  20.116, -45.686)  (  1.977,  20.119, -45.674)  ( 0.01,  0.01,  0.03)
170:     angle   ( 13.749,  30.884,  14.200)  ( 13.753,  30.886,  14.200)  ( 0.03,  0.01,  0.00)
170:     torsion (  2.619,   9.092,   4.119)  (  2.620,   9.093,   4.119)  ( 0.01,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 54.409, -59.219,  12.834)  ( 54.410, -59.218,  12.834)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 55       ( 43.347,  21.559,  39.370)  ( 43.352,  21.568,  39.378)  ( 0.01,  0.04,  0.02)
170:     bond    ( -2.040,  32.043,  31.725)  ( -2.040,  32.050,  31.732)  ( 0.01,  0.02,  0.02)
170:     angle   ( 35.192,  14.594, -12.480)  ( 35.196,  14.595, -12.479)  ( 0.01,  0.01,  0.01)
170:     torsion ( -0.882,  -8.652,   8.681)  ( -0.882,  -8.651,   8.681)  ( 0.02,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 11.077, -16.427,  11.443)  ( 11.078, -16.426,  11.443)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 56       ( 20.739, -16.581,  38.050)  ( 20.744, -16.575,  38.062)  ( 0.02,  0.04,  0.03)
170:     bond    ( -1.456, -14.668,  26.526)  ( -1.456, -14.665,  26.536)  ( 0.01,  0.02,  0.04)
170:     angle   ( -7.505,  -1.343,  -1.153)  ( -7.502,  -1.341,  -1.153)  ( 0.04,  0.13,  0.05)
170:     torsion ( 12.012,  -6.112,  -2.718)  ( 12.012,  -6.111,  -2.718)  ( 0.00,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 17.689,   5.542,  15.396)  ( 17.690,   5.543,  15.396)  ( 0.01,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 57       ( -9.513, -10.340, -51.789)  ( -9.509, -10.332, -51.780)  ( 0.05,  0.08,  0.02)
170:     bond    (  1.529, -22.811, -24.383)  (  1.529, -22.804, -24.376)  ( 0.01,  0.03,  0.03)
170:     angle   (  2.795,   3.734,  -3.320)  (  2.799,   3.735,  -3.319)  ( 0.12,  0.03,  0.03)
170:     torsion (-11.027,  11.386, -11.344)  (-11.027,  11.386, -11.344)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -2.810,  -2.650, -12.741)  ( -2.809,  -2.649, -12.741)  ( 0.04,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 58       (  7.764,  -8.888, -82.637)  (  7.767,  -8.880, -82.625)  ( 0.04,  0.09,  0.01)
170:     bond    (  0.583,  21.754, -28.028)  (  0.582,  21.759, -28.020)  ( 0.01,  0.02,  0.03)
170:     angle   ( -6.302,  -6.960,  -5.535)  ( -6.299,  -6.957,  -5.534)  ( 0.05,  0.03,  0.03)
170:     torsion ( 11.584,  -9.359,  -7.027)  ( 11.585,  -9.359,  -7.027)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  1.899, -14.323, -42.046)  (  1.899, -14.323, -42.045)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 59       ( 15.771, -54.382,  11.456)  ( 15.776, -54.374,  11.464)  ( 0.03,  0.01,  0.07)
170:     bond    ( -2.380, -21.430,  23.359)  ( -2.380, -21.424,  23.366)  ( 0.00,  0.03,  0.03)
170:     angle   ( -0.520,   6.883,   6.258)  ( -0.517,   6.884,   6.259)  ( 0.17,  0.02,  0.02)
170:     torsion ( 20.490, -19.643, -15.922)  ( 20.490, -19.642, -15.922)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.819, -20.193,  -2.239)  ( -1.818, -20.192,  -2.239)  ( 0.05,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 60       (-20.601,  -1.270, -45.454)  (-20.596,  -1.265, -45.443)  ( 0.02,  0.41,  0.02)
170:     bond    ( -2.300, -15.456, -26.859)  ( -2.300, -15.452, -26.849)  ( 0.00,  0.02,  0.04)
170:     angle   ( 20.424,  -0.699,  -1.349)  ( 20.427,  -0.698,  -1.348)  ( 0.02,  0.12,  0.04)
170:     torsion (-15.240,  28.309, -14.988)  (-15.239,  28.309, -14.987)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-23.486, -13.424,  -2.259)  (-23.484, -13.424,  -2.259)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 61       (-36.188,  29.042, -85.024)  (-36.183,  29.055, -85.019)  ( 0.01,  0.04,  0.01)
170:     bond    ( -2.350,  35.403, -10.280)  ( -2.350,  35.416, -10.279)  ( 0.00,  0.04,  0.01)
170:     angle   ( -5.201,  -7.746, -25.504)  ( -5.198,  -7.746, -25.500)  ( 0.06,  0.00,  0.01)
170:     torsion (-15.969, -16.076, -51.740)  (-15.969, -16.077, -51.740)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-12.668,  17.462,   2.500)  (-12.667,  17.462,   2.500)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 62       (-15.019, -62.910, -10.944)  (-15.015, -62.898, -10.940)  ( 0.03,  0.02,  0.04)
170:     bond    (  9.749, -31.825,  15.219)  (  9.750, -31.815,  15.221)  ( 0.01,  0.03,  0.01)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cug_g3i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cuh_g2i.sdf
172: # Unit tests for OBFormat 
172: 1..4
172: ok 1
172: ok 2
172: ok 3
172: ok 4
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cui_x4s.sdf
166/208 Test #172: test_format_1 ....................   Passed    0.20 sec
test 174
        Start 174: test_internalcoord_1
174: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "internalcoord" "1"
174: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
174: Environment variables: 
174:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
174:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
174: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cuj_x5s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cuk_4p5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cuw_445.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cv5_m5s.sdf
174: # Unit tests for z-matrix conversion 
174: 1..2
174: ok 1
174: ok 2
167/208 Test #174: test_internalcoord_1 .............   Passed    0.00 sec
test 175
        Start 175: test_invalidsmarts_1
175: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "invalidsmarts" "1"
175: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
175: Environment variables: 
175:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
175:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
175: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cv6_hxs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cvk_n34.sdf
166:     bond    ( -0.064,  -0.227,  -0.383)  ( -0.063,  -0.226,  -0.380)  ( 0.00,  0.02,  0.10)
166:     angle   ( -5.122,  -0.874,   1.372)  ( -5.121,  -0.873,   1.372)  ( 0.01,  0.03,  0.01)
166:     strbnd  (  0.712,   0.432,   0.989)  (  0.712,   0.432,   0.989)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.289,  -0.711,   0.374)  (  0.289,  -0.711,   0.374)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.169,   1.337,  -2.368)  (  4.169,   1.337,  -2.368)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 13       (  0.009,  -0.036,  -0.036)  (  0.011,  -0.034,  -0.035)  ( 0.00,  0.01,  0.00)
166:     bond    (  7.080, -17.260,   8.482)  (  7.081, -17.259,   8.482)  ( 0.02,  0.01,  0.00)
166:     angle   ( -5.148,   2.623,  -1.308)  ( -5.148,   2.624,  -1.307)  ( 0.00,  0.03,  0.05)
166:     strbnd  ( -0.387,   6.300,  -1.373)  ( -0.387,   6.299,  -1.373)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.837,   0.450,   0.871)  (  0.837,   0.450,   0.871)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.152,   6.289,  -6.678)  ( -2.152,   6.289,  -6.677)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.220,   1.563,  -0.030)  ( -0.220,   1.563,  -0.030)  ( 0.00,  0.00,  0.00)
166: 14       (  0.757,  -0.748,   0.385)  ( -3.436,  -5.579,  -1.228)  (317.23, 361.26, 62.00)
166:     bond    (  1.728,   7.650, -26.617)  (  1.731,   7.651, -26.606)  ( 0.18,  0.02,  0.04)
166:     angle   (-12.444,  -3.256,  -6.802)  (-12.443,  -3.255,  -6.800)  ( 0.01,  0.03,  0.03)
166:     strbnd  ( -0.283,  -8.072,  23.375)  ( -0.284,  -8.072,  23.374)  ( 0.01,  0.00,  0.01)
166:     torsion ( -1.040,  -7.523,   2.789)  ( -1.040,  -7.523,   2.789)  ( 0.01,  0.00,  0.00)
166:     oop     ( 13.584,  16.275,   6.445)  (  9.386,  11.441,   4.821)  (30.90, 29.70, 25.21)
166:     vdw     ( -7.544,  -1.421,   3.983)  ( -7.544,  -1.421,   3.983)  ( 0.00,  0.00,  0.00)
166:     electro (  6.757,  -4.401,  -2.789)  (  6.757,  -4.401,  -2.789)  ( 0.00,  0.00,  0.00)
166: 15       (  0.005,   0.033,  -0.033)  (  0.006,   0.036,  -0.032)  ( 0.00,  0.01,  0.00)
166:     bond    ( -0.124,  -3.231,  -0.971)  ( -0.124,  -3.228,  -0.971)  ( 0.00,  0.10,  0.03)
166:     angle   (  4.975,   0.074,  -0.882)  (  4.976,   0.074,  -0.882)  ( 0.01,  0.00,  0.04)
166:     strbnd  ( -1.156,   1.633,  -0.157)  ( -1.156,   1.633,  -0.157)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.003,  -0.118,   0.391)  ( -0.003,  -0.118,   0.391)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.688,   1.674,   1.586)  ( -3.688,   1.674,   1.586)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 16       ( -2.859,  -3.548,  -1.151)  ( -0.202,  -0.378,  -0.176)  (92.93, 89.34, 84.72)
166:     bond    ( -4.283,  -2.663,  20.496)  ( -4.282,  -2.663,  20.505)  ( 0.01,  0.00,  0.05)
166:     angle   ( -0.168,   2.881,   0.339)  ( -0.168,   2.882,   0.339)  ( 0.01,  0.01,  0.00)
166:     strbnd  (  4.201,   1.886, -19.314)  (  4.201,   1.886, -19.314)  ( 0.00,  0.01,  0.00)
166:     torsion (  1.428,   2.859,   0.669)  (  1.428,   2.859,   0.669)  ( 0.00,  0.00,  0.00)
166:     oop     ( -7.000,  -8.683,  -2.589)  ( -4.344,  -5.513,  -1.623)  (37.94, 36.51, 37.31)
166:     vdw     ( -3.415,  -0.431,   2.105)  ( -3.415,  -0.431,   2.105)  ( 0.00,  0.00,  0.00)
166:     electro (  6.378,   0.602,  -2.858)  (  6.378,   0.602,  -2.858)  ( 0.00,  0.00,  0.00)
166: 17       (  0.002,   0.044,  -0.035)  (  0.007,   0.048,  -0.031)  ( 0.00,  0.02,  0.02)
166:     bond    ( -7.091,   2.130,  -1.977)  ( -7.088,   2.132,  -1.974)  ( 0.05,  0.14,  0.17)
166:     angle   (  4.462,   8.345,  -1.889)  (  4.464,   8.347,  -1.887)  ( 0.04,  0.02,  0.09)
166:     strbnd  (  3.433,  -7.634,   3.029)  (  3.432,  -7.635,   3.028)  ( 0.02,  0.01,  0.02)
166:     torsion ( -1.315,  -0.128,  -0.321)  ( -1.315,  -0.128,  -0.321)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.436,   1.064,  -0.784)  (  0.436,   1.064,  -0.784)  ( 0.00,  0.00,  0.00)
166:     electro (  0.078,  -3.732,   1.907)  (  0.078,  -3.732,   1.907)  ( 0.00,  0.00,  0.00)
166: 18       (  1.407,  -7.885,  -2.678)  (  1.645,  -7.234,  -2.828)  (16.96,  8.25,  5.60)
166:     bond    (  2.690,  -5.259,  -9.175)  (  2.694,  -5.255,  -9.171)  ( 0.14,  0.07,  0.05)
166:     angle   (  0.459,   8.749,   5.203)  (  0.461,   8.751,   5.206)  ( 0.09,  0.02,  0.04)
166:     strbnd  (  3.654,  -2.284,  -2.072)  (  3.653,  -2.285,  -2.073)  ( 0.03,  0.02,  0.02)
166:     torsion (  2.895,  -5.723,   2.052)  (  2.895,  -5.723,   2.052)  ( 0.00,  0.00,  0.00)
166:     oop     ( -1.124,  -3.995,   0.695)  ( -0.890,  -3.350,   0.539)  (20.81, 16.16, 10.85)
166:     vdw     (  0.057,  -1.642,   0.671)  (  0.057,  -1.642,   0.671)  ( 0.00,  0.00,  0.00)
166:     electro ( -7.224,   2.269,  -0.051)  ( -7.224,   2.269,  -0.051)  ( 0.00,  0.00,  0.00)
166: 19       (  0.014,  -0.054,   0.035)  (  0.020,  -0.048,   0.040)  ( 0.01,  0.03,  0.02)
166:     bond    ( -4.572,   7.582,   9.251)  ( -4.568,   7.586,   9.256)  ( 0.10,  0.06,  0.05)
166:     angle   (  4.311, -10.172,  -3.123)  (  4.312, -10.170,  -3.121)  ( 0.04,  0.02,  0.06)
166:     strbnd  ( -2.161,   2.017,   1.879)  ( -2.161,   2.016,   1.878)  ( 0.02,  0.03,  0.04)
166:     torsion ( -0.707,  -0.056,  -0.329)  ( -0.707,  -0.056,  -0.328)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.144,   0.575,  -7.644)  (  3.144,   0.575,  -7.644)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 20       (  0.055,   0.023,  -0.083)  (  0.061,   0.028,  -0.077)  ( 0.03,  0.01,  0.05)
166:     bond    ( -7.858,  -5.077,  -5.109)  ( -7.854,  -5.072,  -5.105)  ( 0.05,  0.09,  0.09)
166:     angle   (  6.358,   2.036,   6.266)  (  6.360,   2.038,   6.268)  ( 0.03,  0.09,  0.03)
166:     strbnd  ( -2.171,  -0.422,  -1.231)  ( -2.172,  -0.423,  -1.232)  ( 0.04,  0.02,  0.05)
166:     torsion (  0.971,  -0.883,  -0.568)  (  0.971,  -0.883,  -0.568)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.756,   4.369,   0.559)  (  2.756,   4.369,   0.559)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 21       ( -0.137,  -0.079,   0.370)  ( -1.098,  -0.257,   1.165)  (13.13,  1.41, 29.42)
166:     bond    ( -7.303,  18.452,  -4.755)  ( -7.301,  18.461,  -4.751)  ( 0.03,  0.05,  0.10)
166:     angle   ( 11.493, -17.158,   1.980)  ( 11.494, -17.156,   1.981)  ( 0.01,  0.01,  0.07)
166:     strbnd  ( -4.739,   3.053,  -5.420)  ( -4.739,   3.052,  -5.421)  ( 0.01,  0.04,  0.02)
166:     torsion ( -2.717,   0.003,   3.882)  ( -2.716,   0.003,   3.882)  ( 0.00,  0.00,  0.00)
166:     oop     (  5.247,   1.013,  -4.389)  (  4.282,   0.825,  -3.599)  (18.39, 18.57, 18.00)
166:     vdw     ( -2.898,  -4.553,   6.605)  ( -2.898,  -4.553,   6.605)  ( 0.00,  0.00,  0.00)
166:     electro (  0.780,  -0.889,   2.467)  (  0.780,  -0.889,   2.467)  ( 0.00,  0.00,  0.00)
166: 22       ( -0.007,  -0.027,   0.080)  ( -0.006,  -0.025,   0.082)  ( 0.00,  0.00,  0.02)
166:     bond    (  0.328,  -2.247,  -3.859)  (  0.328,  -2.246,  -3.857)  ( 0.00,  0.04,  0.06)
166:     angle   ( -0.121,   1.446,  -0.853)  ( -0.120,   1.446,  -0.853)  ( 0.01,  0.03,  0.01)
166:     strbnd  (  0.002,   0.481,   0.353)  (  0.002,   0.481,   0.353)  ( 0.00,  0.00,  0.00)
166:     torsion ( -2.347,  -0.316,  -0.016)  ( -2.347,  -0.316,  -0.016)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.131,   0.609,   4.454)  (  2.131,   0.609,   4.454)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 23       ( -0.191,  -0.011,   0.189)  (  0.002,   0.035,   0.026)  ( 3.69,  0.05,  3.08)
166:     bond    (  2.346,  -0.713,   2.597)  (  2.348,  -0.708,   2.600)  ( 0.09,  0.35,  0.10)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cwd_lna.sdf
170:     angle   ( -8.627,   5.965,  17.990)  ( -8.625,   5.965,  17.993)  ( 0.03,  0.01,  0.01)
170:     torsion (-15.181, -21.195, -34.574)  (-15.181, -21.194, -34.575)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.960, -15.855,  -9.579)  ( -0.960, -15.854,  -9.579)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 63       (-28.471,  30.602, -47.591)  (-28.466,  30.605, -47.578)  ( 0.02,  0.01,  0.03)
170:     bond    (-13.150,  -6.799, -35.271)  (-13.148,  -6.799, -35.260)  ( 0.01,  0.00,  0.03)
170:     angle   (-17.889,  11.898,   4.374)  (-17.886,  11.901,   4.375)  ( 0.01,  0.02,  0.01)
170:     torsion ( -4.815,  38.873,  -5.700)  ( -4.815,  38.873,  -5.700)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  7.383, -13.370, -10.993)  (  7.384, -13.369, -10.993)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 64       ( 12.189,  96.663, -26.883)  ( 12.188,  96.685, -26.877)  ( 0.00,  0.02,  0.02)
170:     bond    (  8.251,  84.539, -22.501)  (  8.251,  84.561, -22.500)  ( 0.00,  0.03,  0.00)
170:     angle   (  2.144, -11.923, -44.028)  (  2.144, -11.923, -44.025)  ( 0.00,  0.00,  0.01)
170:     torsion (  0.474,  -0.037,   0.033)  (  0.474,  -0.037,   0.033)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  1.319,  24.085,  39.613)  (  1.319,  24.085,  39.614)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 65       (-284.611,  11.023, 333.937)  (-284.581,  11.023, 333.948)  ( 0.01,  0.00,  0.00)
170:     bond    (  9.512,   1.540,  -0.214)  (  9.534,   1.541,  -0.214)  ( 0.24,  0.04,  0.00)
170:     angle   ( -0.345,   0.715, -10.236)  ( -0.345,   0.715, -10.232)  ( 0.00,  0.00,  0.04)
170:     torsion ( -0.025,   0.154,   0.012)  ( -0.025,   0.154,   0.012)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-293.753,   8.613, 344.376)  (-293.745,   8.613, 344.383)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 14 # gradients 
170: ok 15 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (301.772, 181.352,  45.300)  (301.694, 180.986,  45.998)  ( 0.03,  0.20,  1.54)
170:     bond    ( -1.833,  -0.557,  -0.639)  ( -1.799,  -0.537,  -0.631)  ( 1.87,  1.12,  0.49)
170:     angle   (290.509, 137.927, 119.299)  (290.523, 137.938, 119.304)  ( 0.00,  0.01,  0.00)
170:     torsion ( 12.278,  42.204, -69.671)  ( 12.279,  42.210, -69.655)  ( 0.00,  0.01,  0.02)
170:     oop     (  0.666,   2.233,  -3.691)  (  0.540,   1.829,  -3.022)  ( 8.41, 18.09, 18.14)
170:     vdw     (  0.152,  -0.454,   0.002)  (  0.152,  -0.454,   0.002)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (-247.311, -31.248,  77.114)  (-247.151, -30.869,  76.570)  ( 0.06,  1.21,  0.70)
170:     bond    (  2.768,   2.470,   2.169)  (  2.795,   2.489,   2.176)  ( 0.97,  0.79,  0.33)
170:     angle   (-228.121,  23.105, -12.124)  (-228.109,  23.115, -12.121)  ( 0.01,  0.04,  0.03)
170:     torsion (-18.738, -51.579,  86.865)  (-18.737, -51.574,  86.881)  ( 0.00,  0.01,  0.02)
170:     oop     ( -0.643,  -1.871,   3.129)  ( -0.523,  -1.527,   2.559)  ( 7.71, 18.39, 18.22)
170:     vdw     ( -2.578,  -3.373,  -2.925)  ( -2.577,  -3.373,  -2.925)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       ( 53.994, 107.586, -72.680)  ( 53.960, 107.403, -72.295)  ( 0.06,  0.17,  0.53)
170:     bond    (  4.664,  -1.988,  -0.584)  (  4.689,  -1.967,  -0.575)  ( 0.53,  1.05,  0.52)
170:     angle   ( 30.408,  40.045,  38.844)  ( 30.422,  40.056,  38.849)  ( 0.05,  0.03,  0.01)
170:     torsion ( 23.917,  67.645, -110.408)  ( 23.918,  67.650, -110.396)  ( 0.00,  0.01,  0.01)
170:     oop     (  0.405,   1.150,  -1.877)  (  0.331,   0.931,  -1.519)  ( 3.03, 19.03, 19.05)
170:     vdw     ( -5.400,   0.733,   1.346)  ( -5.400,   0.733,   1.346)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       (-219.542, -42.542, -106.540)  (-219.533, -42.595, -106.018)  ( 0.00,  0.13,  0.49)
170:     bond    (  9.694,   0.197,   1.892)  (  9.728,   0.218,   1.902)  ( 0.34,  0.41,  0.51)
170:     angle   (-225.909, -61.230, -28.678)  (-225.892, -61.214, -28.674)  ( 0.01,  0.03,  0.01)
170:     torsion (  5.825,  17.750, -74.597)  (  5.826,  17.757, -74.582)  ( 0.01,  0.04,  0.02)
170:     oop     (  0.187,   0.512,  -1.976)  (  0.145,   0.414,  -1.483)  ( 0.77,  4.98, 24.96)
170:     vdw     ( -9.340,   0.229,  -3.180)  ( -9.339,   0.229,  -3.180)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (-103.988, -378.716, -28.757)  (-103.811, -378.276, -29.357)  ( 0.17,  0.12,  2.09)
170:     bond    (  5.906,  -1.531,   0.403)  (  5.943,  -1.502,   0.415)  ( 0.63,  1.85,  0.49)
170:     angle   (-74.604, -284.643, -178.344)  (-74.592, -284.628, -178.339)  ( 0.02,  0.01,  0.00)
170:     torsion (-28.510, -93.641, 147.850)  (-28.509, -93.635, 147.866)  ( 0.00,  0.01,  0.01)
170:     oop     ( -0.683,  -2.271,   3.669)  ( -0.556,  -1.881,   3.036)  ( 8.64, 17.19, 17.27)
170:     vdw     ( -6.097,   3.370,  -2.335)  ( -6.097,   3.371,  -2.335)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (234.949,  78.410, 194.466)  (235.045,  78.340, 193.137)  ( 0.04,  0.09,  0.68)
170:     bond    (-10.131,  -0.808,   0.668)  (-10.097,  -0.779,   0.668)  ( 0.34,  2.32,  0.03)
170:     angle   (234.241,  52.030,  46.614)  (234.258,  52.048,  46.615)  ( 0.01,  0.04,  0.00)
170:     torsion (  0.764,  25.463, 141.630)  (  0.765,  25.465, 141.650)  ( 0.02,  0.01,  0.01)
170:     oop     ( -0.150,   0.547,   6.594)  ( -0.106,   0.427,   5.244)  ( 0.65,  6.52, 20.47)
170:     vdw     ( 10.225,   1.178,  -1.039)  ( 10.225,   1.178,  -1.039)  ( 0.00,  0.02,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       (103.309, 319.286, -232.860)  (103.306, 319.605, -231.042)  ( 0.00,  0.10,  0.78)
170:     bond    ( -5.496,   0.840,  -0.583)  ( -5.457,   0.878,  -0.582)  ( 0.70,  3.22,  0.04)
170:     angle   ( 99.415, 352.868, -36.595)  ( 99.427, 352.888, -36.595)  ( 0.01,  0.01,  0.00)
170:     torsion (  2.400, -30.742, -183.519)  (  2.401, -30.741, -183.498)  ( 0.01,  0.00,  0.01)
170:     oop     (  0.033,  -1.277,  -9.904)  ( -0.021,  -1.017,  -8.109)  ( 0.18, 20.38, 18.12)
170:     vdw     (  6.957,  -2.403,  -2.258)  (  6.957,  -2.403,  -2.258)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (-313.516, -162.733, 107.280)  (-313.485, -162.746, 106.724)  ( 0.01,  0.01,  0.52)
170:     bond    (  1.436,   0.669,  -0.084)  (  1.470,   0.696,  -0.084)  ( 2.43,  1.81,  0.00)
170:     angle   (-316.967, -170.821,  23.120)  (-316.952, -170.805,  23.121)  ( 0.00,  0.01,  0.00)
170:     torsion (  2.083,   6.673,  80.649)  (  2.083,   6.673,  80.671)  ( 0.00,  0.00,  0.03)
170:     oop     (  0.128,   0.337,   3.437)  (  0.110,   0.281,   2.859)  ( 0.23,  1.88, 16.84)
170:     vdw     ( -0.195,   0.410,   0.157)  ( -0.195,   0.410,   0.157)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (239.221, -18.397,  66.490)  (239.245, -18.405,  66.061)  ( 0.01,  0.05,  0.65)
170:     bond    ( -2.872,  -3.159,   0.473)  ( -2.844,  -3.133,   0.474)  ( 0.96,  0.82,  0.01)
170:     angle   (236.450, -26.016,   1.239)  (236.462, -26.003,   1.239)  ( 0.01,  0.05,  0.03)
170:     torsion (  2.401,   6.602,  63.163)  (  2.401,   6.602,  63.184)  ( 0.00,  0.00,  0.03)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cwe_825.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cwj_321.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cx9_lpx.sdf
175: # Testing invalid SMARTS parsing...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cxo_1n5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cxo_3lr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cxw_7cp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cy2_mb9.sdf
170:     oop     (  0.090,   0.271,   2.597)  (  0.073,   0.223,   2.146)  ( 0.15,  1.31, 17.36)
170:     vdw     (  3.153,   3.905,  -0.983)  (  3.153,   3.905,  -0.983)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       (-58.372, -59.689, -117.312)  (-58.318, -59.555, -116.461)  ( 0.09,  0.22,  0.72)
170:     bond    ( -4.647,   1.930,  -0.560)  ( -4.622,   1.958,  -0.559)  ( 0.55,  1.48,  0.03)
170:     angle   (-52.538, -44.247,  17.989)  (-52.523, -44.233,  17.990)  ( 0.03,  0.03,  0.01)
170:     torsion ( -6.022, -15.499, -132.273)  ( -6.022, -15.498, -132.259)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.077,  -0.470,  -4.290)  ( -0.064,  -0.379,  -3.455)  ( 0.10,  4.29, 19.46)
170:     vdw     (  4.912,  -1.402,   1.822)  (  4.913,  -1.402,   1.822)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       (-151.248, -155.360,  -2.039)  (-151.224, -155.355,  -2.266)  ( 0.02,  0.00, 11.15)
170:     bond    (  0.883,   8.752,  -1.624)  (  0.901,   8.774,  -1.606)  ( 1.55,  0.24,  1.12)
170:     angle   (-164.678, -149.716,  -0.681)  (-164.668, -149.706,  -0.675)  ( 0.01,  0.01,  0.40)
170:     torsion ( 10.920,  -5.505,  -3.117)  ( 10.918,  -5.505,  -3.116)  ( 0.01,  0.01,  0.03)
170:     oop     (  0.013,   0.092,   0.954)  (  0.011,   0.067,   0.702)  ( 0.00,  0.23, 24.07)
170:     vdw     (  1.614,  -8.984,   2.429)  (  1.614,  -8.984,   2.429)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       ( 13.751, -24.647, -39.803)  ( 13.766, -24.624, -39.582)  ( 0.11,  0.09,  0.56)
170:     bond    ( -0.858,  -0.484,   0.045)  ( -0.847,  -0.480,   0.045)  ( 0.97,  0.18,  0.00)
170:     angle   ( 11.796, -20.447,   3.862)  ( 11.797, -20.444,   3.862)  ( 0.01,  0.02,  0.01)
170:     torsion ( -0.709,  -2.781, -43.150)  ( -0.709,  -2.781, -43.144)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.009,  -0.053,  -0.741)  ( -0.007,  -0.037,  -0.525)  ( 0.00,  0.09, 15.98)
170:     vdw     (  3.531,  -0.882,   0.180)  (  3.531,  -0.882,   0.180)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (-34.984, -37.445,  -8.191)  (-34.968, -37.411,  -7.953)  ( 0.05,  0.09,  2.90)
170:     bond    ( -2.120,   1.944,  -0.158)  ( -2.112,   1.950,  -0.158)  ( 0.38,  0.35,  0.00)
170:     angle   (-35.398, -37.804,   6.546)  (-35.397, -37.802,   6.545)  ( 0.00,  0.01,  0.00)
170:     torsion ( -0.309,  -1.427, -13.490)  ( -0.309,  -1.427, -13.484)  ( 0.00,  0.01,  0.04)
170:     oop     ( -0.021,  -0.100,  -0.952)  ( -0.015,  -0.075,  -0.719)  ( 0.01,  0.25, 22.11)
170:     vdw     (  2.865,  -0.058,  -0.137)  (  2.865,  -0.058,  -0.137)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       (166.639, 130.450,  95.534)  (166.694, 130.564,  95.423)  ( 0.03,  0.09,  0.12)
170:     bond    ( -0.427,  -7.502,  -4.745)  ( -0.410,  -7.481,  -4.726)  ( 0.73,  0.28,  0.40)
170:     angle   (171.435, 135.443,  86.513)  (171.445, 135.451,  86.520)  ( 0.01,  0.01,  0.01)
170:     torsion ( -1.753,  -4.467,   7.534)  ( -1.753,  -4.466,   7.537)  ( 0.01,  0.02,  0.03)
170:     oop     ( -0.107,  -0.320,   0.527)  ( -0.079,  -0.235,   0.388)  ( 0.30,  2.71,  7.32)
170:     vdw     ( -2.509,   7.296,   5.704)  ( -2.508,   7.296,   5.704)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       (-13.714,  13.703,  11.933)  (-13.644,  13.889,  11.645)  ( 0.51,  1.35,  2.42)
170:     bond    (  0.886,   0.415,   0.424)  (  0.896,   0.417,   0.427)  ( 0.92,  0.09,  0.10)
170:     angle   (-10.001,  17.493,   3.901)  ( -9.999,  17.496,   3.901)  ( 0.01,  0.01,  0.01)
170:     torsion ( -1.208,  -4.254,   6.691)  ( -1.207,  -4.253,   6.695)  ( 0.01,  0.04,  0.07)
170:     oop     ( -0.196,  -0.624,   1.022)  ( -0.139,  -0.445,   0.726)  ( 1.13, 11.17, 28.95)
170:     vdw     ( -3.195,   0.674,  -0.104)  ( -3.195,   0.674,  -0.104)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       ( 32.568,  31.600,  21.423)  ( 32.536,  31.483,  21.634)  ( 0.10,  0.37,  0.98)
170:     bond    (  2.020,  -1.650,  -0.589)  (  2.029,  -1.644,  -0.588)  ( 0.43,  0.34,  0.04)
170:     angle   ( 32.320,  30.184,  27.103)  ( 32.321,  30.186,  27.104)  ( 0.00,  0.00,  0.00)
170:     torsion (  0.868,   2.390,  -3.694)  (  0.868,   2.391,  -3.690)  ( 0.01,  0.06,  0.11)
170:     oop     (  0.170,   0.510,  -0.839)  (  0.128,   0.384,  -0.634)  ( 0.72,  6.42, 17.23)
170:     vdw     ( -2.810,   0.165,  -0.558)  ( -2.810,   0.166,  -0.558)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       ( 83.517,  16.992, -11.075)  ( 83.468,  16.852, -10.802)  ( 0.06,  0.82,  2.46)
170:     bond    ( -0.553,   4.541,   2.614)  ( -0.553,   4.557,   2.619)  ( 0.01,  0.36,  0.21)
170:     angle   ( 82.083,  -0.222,  17.717)  ( 82.087,  -0.222,  17.717)  ( 0.01,  0.00,  0.00)
170:     torsion (  5.269,  15.175, -25.296)  (  5.270,  15.177, -25.292)  ( 0.00,  0.01,  0.02)
170:     oop     (  0.230,   0.713,  -1.192)  (  0.176,   0.555,  -0.929)  ( 1.25, 11.24, 22.05)
170:     vdw     ( -3.512,  -3.215,  -4.917)  ( -3.512,  -3.215,  -4.917)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       (-90.967,  16.173, 118.304)  (-90.929,  16.057, 117.521)  ( 0.04,  0.72,  0.66)
170:     bond    (  0.210,  -4.745,   0.834)  (  0.210,  -4.724,   0.834)  ( 0.00,  0.45,  0.06)
170:     angle   (-93.772,  -4.843,  -3.809)  (-93.768,  -4.843,  -3.809)  ( 0.00,  0.00,  0.00)
170:     torsion ( -1.467,  21.186, 120.314)  ( -1.467,  21.186, 120.320)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.035,   0.621,   3.525)  ( -0.002,   0.483,   2.736)  ( 0.12,  8.56, 22.38)
170:     vdw     (  4.097,   3.955,  -2.560)  (  4.097,   3.955,  -2.560)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       (-87.215, -43.200, -51.128)  (-87.208, -43.194, -51.123)  ( 0.01,  0.01,  0.01)
170:     bond    ( -0.306,   0.292,   0.237)  ( -0.301,   0.298,   0.240)  ( 0.16,  0.15,  0.08)
170:     angle   (-88.178, -61.843, -33.686)  (-88.176, -61.842, -33.684)  ( 0.00,  0.00,  0.00)
170:     torsion ( -1.338,  15.260, -20.588)  ( -1.338,  15.260, -20.588)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  2.607,   3.090,   2.908)  (  2.607,   3.090,   2.908)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       (-27.197, -58.402,  -2.711)  (-27.190, -58.398,  -2.703)  ( 0.02,  0.01,  0.29)
170:     bond    ( -1.957,   0.921,  -2.164)  ( -1.952,   0.923,  -2.157)  ( 0.29,  0.12,  0.32)
170:     angle   ( -7.421, -59.431, -18.712)  ( -7.420, -59.428, -18.711)  ( 0.01,  0.00,  0.00)
170:     torsion (-18.345,  -1.997,  15.745)  (-18.345,  -1.997,  15.745)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.527,   2.104,   2.420)  (  0.527,   2.104,   2.420)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       ( 11.122, -50.089, -42.997)  ( 11.128, -50.082, -42.990)  ( 0.05,  0.01,  0.02)
170:     bond    ( -1.164,  -1.398,   1.214)  ( -1.160,  -1.393,   1.218)  ( 0.34,  0.40,  0.36)
170:     angle   ( -6.372, -37.992, -49.495)  ( -6.370, -37.991, -49.493)  ( 0.02,  0.00,  0.00)
170:     torsion ( 19.921, -12.925,   4.198)  ( 19.921, -12.925,   4.198)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.263,   2.227,   1.086)  ( -1.263,   2.227,   1.086)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       ( -0.246,  86.674,  -3.924)  ( -0.234,  86.677,  -3.920)  ( 0.28,  0.00,  0.10)
170:     bond    (  2.839,   0.011,  -1.453)  (  2.850,   0.011,  -1.450)  ( 0.39,  0.00,  0.20)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cy3_jn5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3cyl_vit.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3czh_d2v.sdf
175: ok 1
175: ok 2
175: ok 3
175: ok 4
175: ok 5
175: ok 6
175: ok 7
175: ok 8
175: ok 9
175: ok 10
175: ok 11
175: ok 12
175: ok 13
175: ok 14
175: ok 15
175: ok 16
175: ok 17
175: ok 18
175: ok 19
175: ok 20 # random data #1 
175: # read 104188
175: ok 21 # random data #2 
175: # read 77768
175: ok 22 # random data #3 
175: # read 100058
175: 1..22
168/208 Test #175: test_invalidsmarts_1 .............   Passed    0.01 sec
test 176
        Start 176: test_invalidsmiles_1
176: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "invalidsmiles" "1"
176: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
176: Environment variables: 
176:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
176:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
176: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3czn_m5g.sdf
166:     angle   ( -9.647,   2.693,  -9.181)  ( -9.647,   2.694,  -9.181)  ( 0.00,  0.05,  0.00)
166:     strbnd  (  2.977,   2.363,   3.838)  (  2.977,   2.363,   3.837)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.013,   0.016,  -0.011)  (  0.013,   0.016,  -0.011)  ( 0.00,  0.00,  0.00)
166:     oop     ( -1.579,  -0.309,   1.374)  ( -1.388,  -0.270,   1.208)  (12.09,  1.23, 12.08)
166:     vdw     (  1.642,  -3.834,   1.605)  (  1.642,  -3.834,   1.605)  ( 0.00,  0.00,  0.00)
166:     electro (  4.057,  -0.227,  -0.032)  (  4.057,  -0.227,  -0.032)  ( 0.00,  0.00,  0.00)
166: 24       (  0.004,   0.003,  -0.053)  (  0.005,   0.004,  -0.052)  ( 0.00,  0.00,  0.01)
166:     bond    ( -1.196,   1.182,  -0.827)  ( -1.194,   1.183,  -0.827)  ( 0.12,  0.11,  0.05)
166:     angle   ( -1.332,  -1.852,  -0.728)  ( -1.331,  -1.852,  -0.727)  ( 0.02,  0.02,  0.03)
166:     strbnd  (  0.241,  -1.027,   0.189)  (  0.241,  -1.026,   0.189)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.038,   0.002,   0.057)  ( -0.038,   0.002,   0.057)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.329,   1.697,   1.256)  (  2.329,   1.697,   1.256)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 25       ( -0.012,  -0.040,  -0.043)  ( -0.010,  -0.039,  -0.041)  ( 0.00,  0.01,  0.01)
166:     bond    ( -1.200,  -1.265,   1.435)  ( -1.199,  -1.264,   1.436)  ( 0.08,  0.08,  0.10)
166:     angle   ( -2.311,  -0.524,  -2.391)  ( -2.311,  -0.524,  -2.391)  ( 0.01,  0.02,  0.01)
166:     strbnd  ( -0.046,   0.131,  -0.817)  ( -0.046,   0.131,  -0.817)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.070,  -0.086,  -0.017)  (  0.070,  -0.086,  -0.017)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.476,   1.704,   1.748)  (  3.476,   1.704,   1.748)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 26       (  0.017,   0.031,  -0.062)  (  0.018,   0.032,  -0.060)  ( 0.00,  0.00,  0.01)
166:     bond    (  0.799,  -1.340,  -1.580)  (  0.799,  -1.338,  -1.578)  ( 0.04,  0.09,  0.11)
166:     angle   ( -3.338,  -0.613,  -1.171)  ( -3.337,  -0.613,  -1.171)  ( 0.01,  0.02,  0.02)
166:     strbnd  ( -0.745,   0.134,   0.227)  ( -0.745,   0.134,   0.227)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.007,  -0.067,   0.060)  (  0.007,  -0.067,   0.060)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.293,   1.916,   2.401)  (  3.293,   1.916,   2.401)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 27       ( -0.029,  -0.013,  -0.016)  ( -0.027,  -0.011,  -0.015)  ( 0.01,  0.00,  0.00)
166:     bond    ( -1.391,   1.340,  -0.747)  ( -1.389,   1.342,  -0.747)  ( 0.11,  0.11,  0.03)
166:     angle   ( -1.015,   0.530,   2.839)  ( -1.015,   0.530,   2.840)  ( 0.02,  0.01,  0.02)
166:     strbnd  (  0.553,  -0.368,   1.021)  (  0.553,  -0.368,   1.021)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.250,  -0.232,   0.047)  ( -0.250,  -0.232,   0.047)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.074,  -1.282,  -3.176)  (  2.074,  -1.282,  -3.176)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 28       ( -0.034,  -0.055,  -0.010)  ( -0.032,  -0.053,  -0.008)  ( 0.01,  0.01,  0.00)
166:     bond    (  1.317,   0.998,   0.899)  (  1.318,   0.999,   0.900)  ( 0.13,  0.10,  0.07)
166:     angle   ( -2.910,   1.945,   2.102)  ( -2.910,   1.946,   2.102)  ( 0.01,  0.02,  0.02)
166:     strbnd  ( -0.799,   0.069,   0.229)  ( -0.799,   0.069,   0.229)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.012,   0.069,  -0.059)  ( -0.012,   0.069,  -0.059)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.371,  -3.136,  -3.182)  (  2.371,  -3.135,  -3.182)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 29       ( -0.014,  -0.055,  -0.036)  ( -0.012,  -0.054,  -0.034)  ( 0.00,  0.01,  0.01)
166:     bond    ( -1.198,  -1.403,   1.700)  ( -1.197,  -1.402,   1.701)  ( 0.06,  0.08,  0.09)
166:     angle   ( -1.824,   2.897,   1.105)  ( -1.823,   2.897,   1.105)  ( 0.02,  0.01,  0.02)
166:     strbnd  (  0.202,   1.021,  -0.133)  (  0.202,   1.021,  -0.133)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.274,  -0.031,   0.167)  (  0.274,  -0.031,   0.167)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.531,  -2.539,  -2.875)  (  2.532,  -2.539,  -2.875)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 30       ( -0.010,   0.057,   0.047)  ( -0.010,   0.062,   0.047)  ( 0.00,  0.03,  0.00)
166:     bond    ( -0.177,   0.738,  -0.096)  ( -0.177,   0.743,  -0.096)  ( 0.01,  0.36,  0.00)
166:     angle   (  8.417,   3.317,  10.163)  (  8.417,   3.317,  10.163)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  0.382,  -1.272,   0.256)  (  0.382,  -1.272,   0.256)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.882,   0.111,  -0.766)  (  0.882,   0.111,  -0.766)  ( 0.01,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.106,   0.075,   0.091)  (  0.106,   0.075,   0.091)  ( 0.00,  0.00,  0.00)
166:     electro ( -9.620,  -2.911,  -9.600)  ( -9.620,  -2.911,  -9.600)  ( 0.00,  0.00,  0.00)
166: 31       (  0.125,   0.139,   0.019)  (  0.600,   0.242,  -0.362)  ( 5.95,  1.43,  0.73)
166:     bond    ( -0.691,  -2.922,  -1.578)  ( -0.691,  -2.915,  -1.576)  ( 0.03,  0.24,  0.13)
166:     angle   (-11.279,   8.740, -11.218)  (-11.279,   8.740, -11.218)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( -0.400,   0.562,  -0.346)  ( -0.400,   0.562,  -0.346)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.247,   0.012,  -0.130)  (  0.247,   0.012,  -0.130)  ( 0.00,  0.00,  0.00)
166:     oop     ( -2.089,  -0.433,   1.715)  ( -1.615,  -0.338,   1.332)  (22.71,  4.11, 22.34)
166:     vdw     (  1.193,  -3.724,   0.966)  (  1.193,  -3.724,   0.966)  ( 0.00,  0.00,  0.00)
166:     electro ( 13.145,  -2.096,  10.610)  ( 13.145,  -2.096,  10.610)  ( 0.00,  0.00,  0.00)
166: ok 32 # gradients 
166: ok 33 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3czr_3cz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3czy_ad8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d04_sak.sdf
176: Usage: invalid-smiles
176:    Tests Open Babel SMILES parsing - rejecting invalid patterns.
168:     angle   ( -0.014,   0.005,  -0.081)  ( -0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( 20.000,  12.412, -17.160)  ( 20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
168:     torsion (  0.019,  -0.017,  -0.014)  (  0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.006,  -0.006,  -0.002)  (  0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.556,  14.019,  -3.165)  ( -3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 24       ( -8.357, -75.934,  23.900)  ( -8.353, -75.928,  23.905)  ( 0.04,  0.01,  0.02)
168:     bond    (-14.578, -43.264,   7.487)  (-14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
168:     angle   ( -0.013,   0.075,   0.026)  ( -0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
168:     strbnd  ( -4.671, -27.652,   7.696)  ( -4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
168:     torsion (  0.030,   0.017,   0.018)  (  0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.012,   0.004,   0.006)  (  0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 10.865,  -5.113,   8.667)  ( 10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 25       (-23.913,  -8.357, -75.934)  (-23.905,  -8.353, -75.928)  ( 0.03,  0.04,  0.01)
168:     bond    ( -7.494, -14.578, -43.264)  ( -7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
168:     angle   ( -0.029,  -0.013,   0.075)  ( -0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( -7.698,  -4.671, -27.652)  ( -7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.018,   0.030,   0.017)  ( -0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.006,   0.012,   0.004)  ( -0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -8.667,  10.865,  -5.113)  ( -8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 26       (-47.306, -52.215,  38.542)  (-47.297, -52.209,  38.549)  ( 0.02,  0.01,  0.02)
168:     bond    (-26.884, -35.755,  12.130)  (-26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
168:     angle   ( -0.081,   0.012,   0.005)  ( -0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
168:     strbnd  (-17.160, -20.001,  12.412)  (-17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
168:     torsion ( -0.014,  -0.020,  -0.017)  ( -0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.002,  -0.006,  -0.006)  ( -0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.165,   3.556,  14.019)  ( -3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 27       ( 52.205,  38.542,  47.292)  ( 52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
168:     bond    ( 35.751,  12.130,  26.876)  ( 35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
168:     angle   ( -0.014,   0.005,   0.078)  ( -0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( 20.000,  12.412,  17.157)  ( 20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
168:     torsion (  0.019,  -0.017,   0.014)  (  0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.006,  -0.006,   0.002)  (  0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.556,  14.019,   3.164)  ( -3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 28       (-70.710, -37.613,  -0.007)  (-70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
168:     bond    (-34.133, -31.161,  -0.003)  (-34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
168:     angle   ( -0.024,  -0.051,  -0.002)  ( -0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
168:     strbnd  (-24.743, -15.277,  -0.001)  (-24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.006,  -0.022,  -0.000)  (  0.006,  -0.021,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.005,  -0.010,  -0.000)  (  0.005,  -0.011,  -0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (-11.821,   8.908,  -0.000)  (-11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 29       ( 23.900,  -8.357, -75.934)  ( 23.905,  -8.353, -75.928)  ( 0.02,  0.04,  0.01)
168:     bond    (  7.487, -14.578, -43.264)  (  7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
168:     angle   (  0.026,  -0.013,   0.075)  (  0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
168:     strbnd  (  7.696,  -4.671, -27.652)  (  7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.018,   0.030,   0.017)  (  0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.006,   0.012,   0.004)  (  0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     (  8.667,  10.865,  -5.113)  (  8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 30       ( 70.694,  37.607,  -0.007)  ( 70.701,  37.611,   0.000)  ( 0.01,  0.01,  0.00)
168:     bond    ( 34.123,  31.159,  -0.003)  ( 34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
168:     angle   (  0.021,   0.050,  -0.002)  (  0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( 24.741,  15.275,  -0.001)  ( 24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.007,   0.020,  -0.000)  ( -0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.005,   0.010,  -0.000)  ( -0.005,   0.011,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 11.821,  -8.908,  -0.000)  ( 11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 31       ( 37.607,  -0.007, -70.710)  ( 37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
168:     bond    ( 31.159,  -0.003, -34.133)  ( 31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
168:     angle   (  0.050,  -0.002,  -0.024)  (  0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( 15.275,  -0.001, -24.743)  ( 15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.020,  -0.000,   0.006)  (  0.021,  -0.000,   0.006)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.010,  -0.000,   0.005)  (  0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -8.908,  -0.000, -11.821)  ( -8.908,   0.000, -11.821)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 32       ( -8.357,  75.919,  23.900)  ( -8.353,  75.928,  23.905)  ( 0.04,  0.01,  0.02)
168:     bond    (-14.578,  43.256,   7.487)  (-14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
168:     angle   ( -0.013,  -0.077,   0.026)  ( -0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
168:     strbnd  ( -4.671,  27.650,   7.696)  ( -4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
168:     torsion (  0.030,  -0.018,   0.018)  (  0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.012,  -0.004,   0.006)  (  0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 10.865,   5.113,   8.667)  ( 10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 33       (-23.913,  -8.357,  75.919)  (-23.905,  -8.353,  75.928)  ( 0.03,  0.04,  0.01)
168:     bond    ( -7.494, -14.578,  43.256)  ( -7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
168:     angle   ( -0.029,  -0.013,  -0.077)  ( -0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( -7.698,  -4.671,  27.650)  ( -7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.018,   0.030,  -0.018)  ( -0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.006,   0.012,  -0.004)  ( -0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -8.667,  10.865,   5.113)  ( -8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 34       ( 70.694, -37.613,  -0.007)  ( 70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
168:     bond    ( 34.123, -31.161,  -0.003)  ( 34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
168:     angle   (  0.021,  -0.051,  -0.002)  (  0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( 24.741, -15.277,  -0.001)  ( 24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d0b_snx.sdf
169/208 Test #176: test_invalidsmiles_1 .............   Passed    0.01 sec
test 177
        Start 177: test_iterators_1
177: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "iterators" "1"
177: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
177: Environment variables: 
177:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
177:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
177: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d0e_g93.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d14_ak1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d15_ak2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d1g_322.sdf
166:  1       ( -0.009,   0.002,  -0.005)  ( -0.001,   0.005,   0.001)  ( 0.01,  0.00,  0.00)
166:     bond    (  9.838,  -1.834,   0.007)  (  9.844,  -1.832,   0.011)  ( 0.07,  0.10,  0.00)
166:     angle   (  6.646,  -1.255,  -0.018)  (  6.648,  -1.254,  -0.017)  ( 0.03,  0.05,  0.00)
166:     strbnd  ( -3.095,   0.579,   0.001)  ( -3.095,   0.579,   0.001)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.001,   0.001,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     (-12.705,   2.379,   0.009)  (-12.705,   2.379,   0.009)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.694,   0.130,   0.001)  ( -0.694,   0.130,   0.001)  ( 0.00,  0.00,  0.00)
166:  2       ( -0.094,  -0.071,  -0.108)  ( -0.084,  -0.054,  -0.110)  ( 0.09,  0.12,  0.02)
166:     bond    ( 15.243,  -7.110,  -6.312)  ( 15.248,  -7.108,  -6.308)  ( 0.04,  0.03,  0.07)
166:     angle   ( -4.881,  -0.262,  -1.754)  ( -4.879,  -0.261,  -1.753)  ( 0.04,  0.02,  0.09)
166:     strbnd  ( -1.609,   1.725,   2.154)  ( -1.609,   1.725,   2.154)  ( 0.01,  0.00,  0.01)
166:     torsion (  0.015,   0.078,  -0.054)  (  0.015,   0.079,  -0.054)  ( 0.00,  0.01,  0.00)
166:     oop     ( -0.015,  -0.078,   0.052)  ( -0.012,  -0.066,   0.044)  ( 0.00,  0.10,  0.04)
166:     vdw     ( -8.822,   6.095,   6.582)  ( -8.822,   6.095,   6.582)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.025,  -0.518,  -0.776)  ( -0.025,  -0.518,  -0.776)  ( 0.00,  0.00,  0.00)
166:  3       (  0.182,  -0.012,  -0.057)  (  0.183,  -0.039,  -0.032)  ( 0.02,  0.03,  0.15)
166:     bond    (  0.609,  -8.879, -13.408)  (  0.614,  -8.877, -13.405)  ( 0.30,  0.02,  0.03)
166:     angle   ( -7.772,   3.135,   2.969)  ( -7.770,   3.136,   2.970)  ( 0.02,  0.03,  0.05)
166:     strbnd  (  2.453,  -0.620,  -0.234)  (  2.453,  -0.620,  -0.235)  ( 0.01,  0.01,  0.01)
166:     torsion ( -0.243,   0.162,   0.098)  ( -0.243,   0.163,   0.098)  ( 0.00,  0.01,  0.00)
166:     oop     (  0.034,   0.181,  -0.121)  (  0.028,   0.151,  -0.101)  ( 0.02,  0.55,  0.25)
166:     vdw     (  4.751,   6.373,  11.116)  (  4.751,   6.373,  11.116)  ( 0.00,  0.00,  0.00)
166:     electro (  0.350,  -0.364,  -0.476)  (  0.350,  -0.364,  -0.476)  ( 0.00,  0.00,  0.00)
166:  4       ( -0.195,   0.032,   0.015)  ( -0.188,   0.037,   0.020)  ( 0.13,  0.02,  0.01)
166:     bond    ( -7.919,   1.496,   0.029)  ( -7.915,   1.498,   0.032)  ( 0.06,  0.11,  0.01)
166:     angle   (  7.321,  -1.377,  -0.013)  (  7.323,  -1.376,  -0.012)  ( 0.03,  0.07,  0.00)
166:     strbnd  ( -7.154,   1.339,   0.000)  ( -7.155,   1.339,   0.000)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.002,  -0.005,   0.001)  ( -0.002,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.001,  -0.007,   0.004)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
166:     vdw     (  7.561,  -1.415,  -0.006)  (  7.562,  -1.415,  -0.006)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  5       (  0.098,  -0.057,  -0.028)  (  0.109,  -0.026,  -0.041)  ( 0.11,  0.18,  0.04)
166:     bond    (  3.740,   8.034,  13.340)  (  3.745,   8.036,  13.343)  ( 0.13,  0.02,  0.03)
166:     angle   ( -8.410,  -0.116,  -2.962)  ( -8.408,  -0.115,  -2.960)  ( 0.02,  0.01,  0.05)
166:     strbnd  (  2.516,  -0.308,   0.233)  (  2.515,  -0.309,   0.233)  ( 0.01,  0.00,  0.01)
166:     torsion ( -0.284,  -0.056,  -0.104)  ( -0.284,  -0.055,  -0.103)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.031,  -0.165,   0.109)  ( -0.025,  -0.137,   0.091)  ( 0.02,  0.46,  0.20)
166:     vdw     (  2.108,  -7.659, -11.120)  (  2.108,  -7.659, -11.120)  ( 0.00,  0.00,  0.00)
166:     electro (  0.459,   0.213,   0.476)  (  0.459,   0.213,   0.476)  ( 0.00,  0.00,  0.00)
166:  6       ( -0.017,   0.039,   0.055)  ( -0.012,   0.031,   0.069)  ( 0.01,  0.03,  0.08)
166:     bond    ( 16.822,   1.066,   6.232)  ( 16.827,   1.068,   6.236)  ( 0.03,  0.19,  0.07)
166:     angle   ( -4.438,   2.007,   1.762)  ( -4.436,   2.007,   1.763)  ( 0.05,  0.03,  0.09)
166:     strbnd  ( -2.127,  -1.024,  -2.150)  ( -2.127,  -1.024,  -2.150)  ( 0.01,  0.00,  0.01)
166:     torsion ( -0.016,  -0.084,   0.056)  ( -0.016,  -0.083,   0.056)  ( 0.00,  0.01,  0.00)
166:     oop     (  0.013,   0.071,  -0.048)  (  0.011,   0.060,  -0.040)  ( 0.00,  0.08,  0.04)
166:     vdw     (-10.436,  -2.488,  -6.572)  (-10.436,  -2.488,  -6.572)  ( 0.00,  0.00,  0.00)
166:     electro (  0.165,   0.492,   0.776)  (  0.165,   0.492,   0.776)  ( 0.00,  0.00,  0.00)
166:  7       (  0.083,   0.029,  -0.027)  (  0.090,   0.034,  -0.024)  ( 0.06,  0.02,  0.01)
166:     bond    ( -5.715,   1.120,  -0.030)  ( -5.710,   1.124,  -0.028)  ( 0.08,  0.35,  0.00)
166:     angle   ( -3.925,   0.733,   0.006)  ( -3.923,   0.734,   0.007)  ( 0.05,  0.10,  0.00)
166:     strbnd  ( 10.212,  -1.917,  -0.002)  ( 10.212,  -1.917,  -0.002)  ( 0.00,  0.01,  0.00)
166:     torsion ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.489,   0.094,  -0.002)  ( -0.488,   0.094,  -0.002)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:  8       ( -0.096,   0.024,  -0.020)  ( -0.089,   0.030,  -0.017)  ( 0.07,  0.01,  0.01)
166:     bond    ( -3.483, -12.638,   7.907)  ( -3.478, -12.633,   7.908)  ( 0.16,  0.03,  0.02)
166:     angle   (  3.798,   0.832,  -0.921)  (  3.800,   0.834,  -0.921)  ( 0.04,  0.11,  0.04)
166:     strbnd  (  1.060,  -1.300,   0.656)  (  1.060,  -1.300,   0.656)  ( 0.02,  0.01,  0.00)
166:     torsion (  0.019,   0.099,   0.166)  (  0.019,   0.099,   0.167)  ( 0.00,  0.00,  0.02)
166:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.505,  14.542,  -8.739)  ( -1.505,  14.542,  -8.739)  ( 0.01,  0.00,  0.00)
166:     electro (  0.016,  -1.510,   0.914)  (  0.016,  -1.510,   0.914)  ( 0.00,  0.00,  0.00)
166:  9       ( -0.010,  -0.087,   0.031)  ( -0.003,  -0.081,   0.034)  ( 0.01,  0.05,  0.01)
166:     bond    ( -2.492,  -7.482,   4.725)  ( -2.486,  -7.478,   4.727)  ( 0.23,  0.05,  0.03)
166:     angle   ( -4.105,  -3.933,   2.798)  ( -4.103,  -3.931,   2.798)  ( 0.04,  0.03,  0.02)
166:     strbnd  ( -4.222,   0.031,   0.453)  ( -4.222,   0.031,   0.453)  ( 0.01,  0.00,  0.00)
166:     torsion ( -0.000,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 10.835,  10.954,  -7.728)  ( 10.835,  10.954,  -7.728)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.025,   0.347,  -0.209)  ( -0.025,   0.347,  -0.209)  ( 0.00,  0.00,  0.00)
166: 10       ( -0.018,  -0.003,   0.005)  ( -0.014,   0.002,   0.008)  ( 0.01,  0.00,  0.00)
166:     bond    (-13.181,   2.472,   0.003)  (-13.178,   2.476,   0.004)  ( 0.02,  0.16,  0.00)
166:     angle   (  8.282,  -1.555,  -0.003)  (  8.284,  -1.555,  -0.003)  ( 0.02,  0.02,  0.00)
166:     strbnd  (  0.147,  -0.037,   0.005)  (  0.147,  -0.037,   0.006)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     (  8.264,  -1.546,  -0.006)  (  8.265,  -1.546,  -0.006)  ( 0.00,  0.00,  0.00)
166:     electro ( -3.532,   0.661,   0.003)  ( -3.532,   0.661,   0.003)  ( 0.00,  0.00,  0.00)
166: 11       ( -0.084,   0.070,  -0.048)  ( -0.077,   0.076,  -0.045)  ( 0.06,  0.04,  0.02)
166:     bond    (  0.276,   7.851,  -4.706)  (  0.282,   7.855,  -4.705)  ( 0.16,  0.05,  0.03)
166:     angle   ( -2.425,   5.161,  -2.800)  ( -2.424,   5.163,  -2.800)  ( 0.07,  0.03,  0.02)
166:     strbnd  ( -3.937,   1.510,  -0.456)  ( -3.938,   1.510,  -0.456)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
166:     vdw     (  6.153, -14.132,   7.716)  (  6.153, -14.132,   7.716)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.149,  -0.315,   0.209)  ( -0.149,  -0.315,   0.209)  ( 0.00,  0.00,  0.00)
166: 12       (  0.047,  -0.083,   0.059)  (  0.054,  -0.077,   0.061)  ( 0.03,  0.04,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d1v_d1v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d27_w29.sdf
177: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d28_b34.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d2i_ak3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d2k_ak4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d3e_d3e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d3p_20a.sdf
166:     bond    (  1.440,  12.965,  -7.881)  (  1.446,  12.969,  -7.880)  ( 0.38,  0.03,  0.02)
166:     angle   (  3.262,  -2.172,   0.925)  (  3.264,  -2.171,   0.925)  ( 0.05,  0.06,  0.04)
166:     strbnd  (  1.447,   0.834,  -0.660)  (  1.447,   0.834,  -0.660)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.018,  -0.096,  -0.161)  ( -0.018,  -0.095,  -0.160)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -6.645, -13.018,   8.747)  ( -6.645, -13.018,   8.747)  ( 0.00,  0.00,  0.00)
166:     electro (  0.560,   1.403,  -0.914)  (  0.560,   1.402,  -0.914)  ( 0.00,  0.00,  0.00)
166: 13       (  0.014,   0.029,  -0.012)  (  0.016,   0.031,  -0.010)  ( 0.00,  0.01,  0.00)
166:     bond    (  0.532,   0.585,  -0.410)  (  0.533,   0.587,  -0.409)  ( 0.07,  0.10,  0.03)
166:     angle   ( -1.375,   0.959,  -0.417)  ( -1.375,   0.959,  -0.417)  ( 0.03,  0.02,  0.00)
166:     strbnd  ( -0.291,   0.302,  -0.147)  ( -0.291,   0.302,  -0.147)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.002,  -0.013,  -0.021)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.001,  -0.001)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.782,  -2.146,   1.210)  (  0.782,  -2.146,   1.210)  ( 0.00,  0.00,  0.00)
166:     electro (  0.369,   0.342,  -0.225)  (  0.369,   0.342,  -0.225)  ( 0.00,  0.00,  0.00)
166: 14       (  0.014,  -0.025,   0.027)  (  0.015,  -0.022,   0.028)  ( 0.00,  0.01,  0.00)
166:     bond    ( -0.713,   1.410,  -0.761)  ( -0.713,   1.412,  -0.760)  ( 0.04,  0.17,  0.05)
166:     angle   ( -1.054,  -0.355,   0.329)  ( -1.053,  -0.355,   0.329)  ( 0.06,  0.00,  0.00)
166:     strbnd  (  0.385,   0.200,  -0.162)  (  0.385,   0.200,  -0.162)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.001,   0.005,   0.009)  (  0.001,   0.006,   0.009)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.575,  -0.404,   0.175)  (  0.575,  -0.404,   0.175)  ( 0.00,  0.00,  0.00)
166:     electro (  0.821,  -0.881,   0.436)  (  0.821,  -0.881,   0.436)  ( 0.00,  0.00,  0.00)
166: 15       ( -0.046,  -0.018,   0.011)  ( -0.038,  -0.002,   0.010)  ( 0.03,  0.03,  0.00)
166:     bond    ( -7.125,  -4.896,  -9.263)  ( -7.121,  -4.892,  -9.259)  ( 0.06,  0.09,  0.05)
166:     angle   (  6.393,   2.270,   5.666)  (  6.394,   2.272,   5.667)  ( 0.03,  0.07,  0.03)
166:     strbnd  (  0.273,  -0.725,  -1.181)  (  0.272,  -0.726,  -1.182)  ( 0.02,  0.04,  0.08)
166:     torsion (  1.289,  -0.354,  -0.774)  (  1.289,  -0.353,  -0.774)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.010,  -0.056,   0.038)  ( -0.009,  -0.047,   0.031)  ( 0.00,  0.05,  0.02)
166:     vdw     ( -0.361,   3.610,   5.432)  ( -0.361,   3.610,   5.432)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.503,   0.134,   0.095)  ( -0.503,   0.134,   0.095)  ( 0.00,  0.00,  0.00)
166: 16       (  0.036,  -0.004,   0.009)  (  0.041,  -0.003,   0.010)  ( 0.02,  0.00,  0.00)
166:     bond    ( -1.105,   0.206,   0.001)  ( -1.100,   0.206,   0.001)  ( 0.41,  0.00,  0.00)
166:     angle   (  0.001,   0.005,   0.007)  (  0.001,   0.005,   0.007)  ( 0.00,  0.00,  0.00)
166:     strbnd  (  3.048,  -0.570,  -0.001)  (  3.048,  -0.570,  -0.001)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.498,   0.093,   0.000)  ( -0.498,   0.093,   0.001)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.410,   0.264,   0.001)  ( -1.410,   0.264,   0.001)  ( 0.00,  0.00,  0.00)
166: 17       ( -0.037,   0.047,   0.071)  ( -0.035,   0.047,   0.074)  ( 0.01,  0.00,  0.02)
166:     bond    ( -0.132,   0.174,   0.223)  ( -0.131,   0.175,   0.225)  ( 0.01,  0.03,  0.05)
166:     angle   (  1.479,   0.192,   0.711)  (  1.480,   0.192,   0.711)  ( 0.05,  0.00,  0.01)
166:     strbnd  (  1.315,  -1.062,  -1.217)  (  1.315,  -1.062,  -1.217)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.011,  -0.057,   0.038)  ( -0.011,  -0.057,   0.038)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.001,   0.006,  -0.004)  (  0.001,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -4.211,   0.450,  -0.614)  ( -4.210,   0.450,  -0.614)  ( 0.00,  0.00,  0.00)
166:     electro (  1.521,   0.344,   0.934)  (  1.521,   0.344,   0.934)  ( 0.00,  0.00,  0.00)
166: 18       ( -0.041,   0.022,   0.048)  ( -0.037,   0.019,   0.060)  ( 0.02,  0.01,  0.05)
166:     bond    ( -4.885,   7.159,   9.319)  ( -4.880,   7.163,   9.323)  ( 0.09,  0.06,  0.05)
166:     angle   (  5.152,  -4.463,  -5.651)  (  5.154,  -4.462,  -5.649)  ( 0.04,  0.03,  0.03)
166:     strbnd  (  0.516,   0.583,   1.171)  (  0.515,   0.582,   1.170)  ( 0.03,  0.04,  0.08)
166:     torsion (  1.334,  -0.130,   0.768)  (  1.334,  -0.130,   0.768)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.010,   0.051,  -0.034)  (  0.008,   0.042,  -0.028)  ( 0.00,  0.04,  0.02)
166:     vdw     ( -1.650,  -3.234,  -5.431)  ( -1.650,  -3.234,  -5.431)  ( 0.01,  0.00,  0.00)
166:     electro ( -0.518,   0.057,  -0.094)  ( -0.518,   0.057,  -0.094)  ( 0.00,  0.00,  0.00)
166: 19       ( -0.026,  -0.013,  -0.044)  ( -0.024,  -0.011,  -0.042)  ( 0.01,  0.00,  0.01)
166:     bond    ( -0.161,  -0.100,  -0.195)  ( -0.159,  -0.099,  -0.193)  ( 0.03,  0.01,  0.05)
166:     angle   (  1.304,  -0.712,  -0.711)  (  1.305,  -0.712,  -0.711)  ( 0.04,  0.01,  0.01)
166:     strbnd  (  1.615,   0.513,   1.214)  (  1.615,   0.513,   1.214)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.011,   0.057,  -0.038)  (  0.011,   0.058,  -0.038)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.001,  -0.006,   0.004)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -4.086,   1.106,   0.619)  ( -4.086,   1.106,   0.619)  ( 0.00,  0.00,  0.00)
166:     electro (  1.292,  -0.870,  -0.936)  (  1.292,  -0.870,  -0.936)  ( 0.00,  0.00,  0.00)
166: 20       (  0.018,  -0.043,   0.008)  (  0.019,  -0.041,   0.009)  ( 0.00,  0.01,  0.00)
166:     bond    (  0.288,  -0.750,   0.412)  (  0.289,  -0.747,   0.413)  ( 0.01,  0.20,  0.03)
166:     angle   ( -1.609,  -0.393,   0.414)  ( -1.608,  -0.393,   0.414)  ( 0.04,  0.00,  0.00)
166:     strbnd  ( -0.388,  -0.178,   0.149)  ( -0.388,  -0.178,   0.149)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.002,   0.011,   0.019)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.503,   1.719,  -1.212)  (  1.503,   1.719,  -1.212)  ( 0.00,  0.00,  0.00)
166:     electro (  0.221,  -0.453,   0.225)  (  0.221,  -0.453,   0.225)  ( 0.00,  0.00,  0.00)
166: 21       (  0.039,   0.039,  -0.040)  (  0.041,   0.040,  -0.039)  ( 0.01,  0.01,  0.00)
166:     bond    ( -1.156,  -1.042,   0.748)  ( -1.154,  -1.041,   0.749)  ( 0.15,  0.13,  0.05)
166:     angle   ( -0.862,   0.717,  -0.330)  ( -0.861,   0.717,  -0.330)  ( 0.04,  0.02,  0.00)
166:     strbnd  (  0.292,  -0.327,   0.162)  (  0.292,  -0.327,   0.162)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.007)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.682,   0.169,  -0.176)  (  0.682,   0.169,  -0.176)  ( 0.00,  0.00,  0.00)
166:     electro (  1.083,   0.525,  -0.437)  (  1.083,   0.525,  -0.437)  ( 0.00,  0.00,  0.00)
166: 22       ( -0.002,  -0.011,   0.010)  ( -0.001,  -0.009,   0.011)  ( 0.00,  0.00,  0.00)
166:     bond    ( -0.526,   0.784,  -0.542)  ( -0.525,   0.786,  -0.541)  ( 0.04,  0.14,  0.05)
166:     angle   (  1.195,  -1.233,  -2.949)  (  1.195,  -1.233,  -2.949)  ( 0.03,  0.02,  0.01)
166:     strbnd  ( -0.255,  -0.588,  -0.393)  ( -0.255,  -0.588,  -0.393)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.565,  -0.064,   0.455)  ( -0.565,  -0.064,   0.455)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.149,   1.091,   3.440)  (  0.149,   1.091,   3.440)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 23       ( -0.002,  -0.011,   0.000)  ( -0.001,  -0.010,   0.001)  ( 0.00,  0.00,  0.00)
166:     bond    ( -0.710,  -0.703,   0.394)  ( -0.709,  -0.701,   0.395)  ( 0.11,  0.10,  0.02)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d4b_dzd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d4l_605.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d4n_d4n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d4q_sm5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d4s_clr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d4s_tim.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d4y_mvl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d50_oev.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d52_ghr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d5f_l41.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d5m_4ms.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d5q_t30.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d6o_u1s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d6p_u2s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d6q_u3s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d6u_t11.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d6v_tfq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d6y_ber.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d7b_u4s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d7d_fbd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d7f_yby.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d7g_mud.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d7h_yc2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d7z_gk5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d80_q22.sdf
166:     angle   (  0.978,  -1.990,  -1.779)  (  0.979,  -1.990,  -1.778)  ( 0.03,  0.01,  0.03)
166:     strbnd  ( -0.228,  -0.099,  -0.703)  ( -0.228,  -0.099,  -0.703)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.442,   0.487,   0.072)  ( -0.442,   0.487,   0.072)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.399,   2.293,   2.016)  (  0.399,   2.293,   2.016)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 24       (  0.016,   0.004,  -0.000)  (  0.017,   0.005,   0.001)  ( 0.00,  0.00,  0.00)
166:     bond    (  0.712,  -0.619,  -0.845)  (  0.713,  -0.618,  -0.844)  ( 0.08,  0.05,  0.13)
166:     angle   ( -4.410,  -0.925,  -3.048)  ( -4.410,  -0.925,  -3.048)  ( 0.01,  0.03,  0.01)
166:     strbnd  ( -0.899,   0.082,  -0.052)  ( -0.899,   0.082,  -0.052)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.011,  -0.086,   0.054)  ( -0.011,  -0.086,   0.054)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.624,   1.552,   3.891)  (  4.624,   1.552,   3.891)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 25       (  0.015,   0.029,  -0.030)  (  0.017,   0.030,  -0.029)  ( 0.00,  0.00,  0.00)
166:     bond    ( -0.752,  -0.529,   0.528)  ( -0.750,  -0.529,   0.529)  ( 0.13,  0.05,  0.04)
166:     angle   (  1.555,   0.717,   2.924)  (  1.555,   0.718,   2.924)  ( 0.02,  0.03,  0.01)
166:     strbnd  ( -0.027,   0.641,   0.396)  ( -0.027,   0.641,   0.396)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.505,   0.263,  -0.453)  ( -0.505,   0.263,  -0.453)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.257,  -1.063,  -3.425)  ( -0.257,  -1.063,  -3.425)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 26       ( -0.016,  -0.001,  -0.020)  ( -0.014,  -0.000,  -0.018)  ( 0.00,  0.00,  0.00)
166:     bond    (  0.867,   0.313,   0.819)  (  0.869,   0.313,   0.821)  ( 0.15,  0.01,  0.12)
166:     angle   ( -3.775,   2.481,   3.047)  ( -3.775,   2.482,   3.047)  ( 0.01,  0.02,  0.01)
166:     strbnd  ( -0.869,   0.249,   0.057)  ( -0.869,   0.249,   0.057)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.019,   0.079,  -0.051)  (  0.019,   0.079,  -0.051)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.742,  -3.123,  -3.893)  (  3.742,  -3.123,  -3.893)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 27       (  0.012,  -0.017,   0.007)  (  0.013,  -0.015,   0.008)  ( 0.00,  0.00,  0.00)
166:     bond    ( -0.401,   0.886,  -0.386)  ( -0.401,   0.889,  -0.385)  ( 0.02,  0.22,  0.02)
166:     angle   (  1.642,   1.513,   1.782)  (  1.642,   1.513,   1.783)  ( 0.02,  0.01,  0.03)
166:     strbnd  ( -0.174,   0.171,   0.708)  ( -0.174,   0.170,   0.708)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.590,  -0.296,  -0.070)  ( -0.590,  -0.296,  -0.070)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.465,  -2.291,  -2.028)  ( -0.465,  -2.291,  -2.028)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: ok 34 # gradients 
166: ok 35 # energy 
166: ----------------------------------------------------------------------------------------
166:                                                                                         
166:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
166:                                                                                         
166:                                                                                         
166: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
166: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d8y_t3s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d8z_txs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d90_nog.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d91_rem.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3d94_d94.sdf
168:     torsion ( -0.007,  -0.022,  -0.000)  ( -0.006,  -0.021,  -0.000)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.005,  -0.010,  -0.000)  ( -0.005,  -0.011,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 11.821,   8.908,  -0.000)  ( 11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 35       (-52.215,  38.542, -47.306)  (-52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
168:     bond    (-35.755,  12.130, -26.884)  (-35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
168:     angle   (  0.012,   0.005,  -0.081)  (  0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
168:     strbnd  (-20.001,  12.412, -17.160)  (-20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
168:     torsion ( -0.020,  -0.017,  -0.014)  ( -0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.006,  -0.006,  -0.002)  ( -0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.556,  14.019,  -3.165)  (  3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 36       (-52.215,  38.542,  47.292)  (-52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
168:     bond    (-35.755,  12.130,  26.876)  (-35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
168:     angle   (  0.012,   0.005,   0.078)  (  0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
168:     strbnd  (-20.001,  12.412,  17.157)  (-20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
168:     torsion ( -0.020,  -0.017,   0.014)  ( -0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.006,  -0.006,   0.002)  ( -0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.556,  14.019,   3.164)  (  3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 37       (-37.613,  -0.007,  70.694)  (-37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
168:     bond    (-31.161,  -0.003,  34.123)  (-31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
168:     angle   ( -0.051,  -0.002,   0.021)  ( -0.051,  -0.000,   0.022)  ( 0.00,  0.00,  0.00)
168:     strbnd  (-15.277,  -0.001,  24.741)  (-15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.022,  -0.000,  -0.007)  ( -0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.010,  -0.000,  -0.005)  ( -0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (  8.908,  -0.000,  11.821)  (  8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 38       (-52.215, -38.554, -47.306)  (-52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
168:     bond    (-35.755, -12.136, -26.884)  (-35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
168:     angle   (  0.012,  -0.007,  -0.081)  (  0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
168:     strbnd  (-20.001, -12.414, -17.160)  (-20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
168:     torsion ( -0.020,   0.017,  -0.014)  ( -0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.006,   0.005,  -0.002)  ( -0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.556, -14.019,  -3.165)  (  3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 39       (-52.215, -38.554,  47.292)  (-52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
168:     bond    (-35.755, -12.136,  26.876)  (-35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
168:     angle   (  0.012,  -0.007,   0.078)  (  0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
168:     strbnd  (-20.001, -12.414,  17.157)  (-20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
168:     torsion ( -0.020,   0.017,   0.014)  ( -0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.006,   0.005,   0.002)  ( -0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.556, -14.019,   3.164)  (  3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 40       ( 23.900,  -8.357,  75.919)  ( 23.905,  -8.353,  75.928)  ( 0.02,  0.04,  0.01)
168:     bond    (  7.487, -14.578,  43.256)  (  7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
168:     angle   (  0.026,  -0.013,  -0.077)  (  0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
168:     strbnd  (  7.696,  -4.671,  27.650)  (  7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.018,   0.030,  -0.018)  (  0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.006,   0.012,  -0.004)  (  0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     (  8.667,  10.865,   5.113)  (  8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 41       (-54.913, -35.524, -24.139)  (-54.905, -35.518, -24.134)  ( 0.02,  0.02,  0.02)
168:     bond    (-26.884, -35.755, -12.136)  (-26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
168:     angle   (  8.310,   2.328,   1.428)  (  8.312,   2.330,   1.429)  ( 0.02,  0.05,  0.09)
168:     strbnd  (-33.157,  -3.794,  -2.400)  (-33.157,  -3.793,  -2.399)  ( 0.00,  0.02,  0.04)
168:     torsion ( -0.015,  -1.854,   2.983)  ( -0.015,  -1.853,   2.983)  ( 0.00,  0.03,  0.01)
168:     oop     ( -0.002,  -0.006,   0.005)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.165,   3.556, -14.019)  ( -3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 42       (  3.504,  53.443,  17.121)  (  3.509,  53.448,  17.126)  ( 0.15,  0.01,  0.02)
168:     bond    (-12.452,  26.530,  26.356)  (-12.448,  26.533,  26.357)  ( 0.04,  0.01,  0.01)
168:     angle   ( -9.977,  -5.385,  -2.072)  ( -9.975,  -5.383,  -2.071)  ( 0.02,  0.04,  0.05)
168:     strbnd  ( 29.601,  21.773,  10.437)  ( 29.601,  21.772,  10.438)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.442,   1.853,  -6.723)  (  1.442,   1.853,  -6.722)  ( 0.02,  0.02,  0.01)
168:     oop     (  0.004,   0.006,  -0.012)  (  0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.113,   8.667, -10.865)  ( -5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 43       ( 47.292, -52.215, -38.554)  ( 47.297, -52.209, -38.549)  ( 0.01,  0.01,  0.01)
168:     bond    ( 26.876, -35.755, -12.136)  ( 26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
168:     angle   (  0.078,   0.012,  -0.007)  (  0.079,   0.013,  -0.006)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( 17.157, -20.001, -12.414)  ( 17.159, -20.000, -12.413)  ( 0.01,  0.00,  0.01)
168:     torsion (  0.014,  -0.020,   0.017)  (  0.014,  -0.019,   0.017)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.002,  -0.006,   0.005)  (  0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.164,   3.556, -14.019)  (  3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 44       (  8.348,  75.919, -23.913)  (  8.353,  75.928, -23.905)  ( 0.06,  0.01,  0.03)
168:     bond    ( 14.575,  43.256,  -7.494)  ( 14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
168:     angle   (  0.011,  -0.077,  -0.029)  (  0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
168:     strbnd  (  4.670,  27.650,  -7.698)  (  4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
168:     torsion ( -0.031,  -0.018,  -0.018)  ( -0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.012,  -0.004,  -0.006)  ( -0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (-10.865,   5.113,  -8.667)  (-10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 45       ( -8.357,  75.919, -23.913)  ( -8.353,  75.928, -23.905)  ( 0.04,  0.01,  0.03)
168:     bond    (-14.578,  43.256,  -7.494)  (-14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
168:     angle   ( -0.013,  -0.077,  -0.029)  ( -0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
168:     strbnd  ( -4.671,  27.650,  -7.698)  ( -4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
168:     torsion (  0.030,  -0.018,  -0.018)  (  0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
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166:  1       ( 40.017,  -0.918,  27.693)  ( 40.022,  -0.916,  27.698)  ( 0.01,  0.21,  0.02)
166:     bond    ( 17.093,   4.746,  20.403)  ( 17.097,   4.747,  20.407)  ( 0.02,  0.02,  0.02)
166:     angle   ( 10.823,  -6.670,  -7.661)  ( 10.824,  -6.668,  -7.659)  ( 0.02,  0.03,  0.02)
166:     strbnd  ( -1.302,  -1.496,  -3.384)  ( -1.303,  -1.496,  -3.384)  ( 0.04,  0.04,  0.02)
166:     torsion ( -0.752,  -0.481,  -0.404)  ( -0.752,  -0.481,  -0.404)  ( 0.01,  0.01,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.697,   3.940,   6.118)  (  2.697,   3.940,   6.118)  ( 0.00,  0.00,  0.00)
166:     electro ( 11.458,  -0.958,  12.621)  ( 11.458,  -0.958,  12.621)  ( 0.00,  0.00,  0.00)
166:  2       (-31.059,   8.802,  24.651)  (-31.053,   8.807,  24.657)  ( 0.02,  0.06,  0.02)
166:     bond    (-27.113,  -0.560,   3.022)  (-27.109,  -0.556,   3.026)  ( 0.02,  0.22,  0.12)
166:     angle   (-10.986,   1.327,   1.389)  (-10.984,   1.329,   1.391)  ( 0.02,  0.14,  0.17)
166:     strbnd  (  6.026,   1.292,   2.785)  (  6.025,   1.291,   2.784)  ( 0.02,  0.04,  0.03)
166:     torsion (  0.387,   2.102,   1.063)  (  0.387,   2.103,   1.063)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.974,  -1.076,   6.259)  ( -5.974,  -1.076,   6.260)  ( 0.00,  0.00,  0.00)
166:     electro (  6.602,   5.716,  10.133)  (  6.602,   5.716,  10.133)  ( 0.00,  0.00,  0.00)
166:  3       (-13.765, -13.920,  11.801)  (-13.759, -13.915,  11.806)  ( 0.04,  0.04,  0.04)
166:     bond    ( -2.739,  -3.315,  12.969)  ( -2.735,  -3.311,  12.974)  ( 0.14,  0.12,  0.03)
166:     angle   (  0.437, -11.359,  -0.705)  (  0.439, -11.357,  -0.703)  ( 0.09,  0.02,  0.14)
166:     strbnd  (  1.387,   2.155,  -8.533)  (  1.387,   2.154,  -8.535)  ( 0.02,  0.03,  0.02)
166:     torsion ( -2.416,   1.078,   0.854)  ( -2.416,   1.078,   0.855)  ( 0.00,  0.01,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -6.807,  -1.527,   6.510)  ( -6.807,  -1.527,   6.510)  ( 0.00,  0.00,  0.00)
166:     electro ( -3.627,  -0.951,   0.706)  ( -3.627,  -0.951,   0.706)  ( 0.00,  0.00,  0.00)
166:  4       (-10.095,   5.283, -11.576)  (-10.089,   5.286, -11.570)  ( 0.05,  0.05,  0.05)
166:     bond    (  0.949,  -2.282,   0.268)  (  0.953,  -2.280,   0.273)  ( 0.43,  0.06,  0.13)
166:     angle   (  0.591,  21.684,   6.844)  (  0.593,  21.686,   6.845)  ( 0.09,  0.01,  0.02)
166:     strbnd  (  1.406,  -5.851,  -0.013)  (  1.406,  -5.852,  -0.014)  ( 0.04,  0.01,  0.00)
166:     torsion (  0.184,  -1.989,  -0.339)  (  0.185,  -1.989,  -0.339)  ( 0.00,  0.01,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -5.463,  -3.294,  -7.182)  ( -5.463,  -3.294,  -7.182)  ( 0.00,  0.00,  0.00)
166:     electro ( -7.762,  -2.986, -11.154)  ( -7.762,  -2.986, -11.154)  ( 0.00,  0.00,  0.00)
166:  5       ( 15.784,  -6.823, -14.411)  ( 15.790,  -6.817, -14.405)  ( 0.03,  0.08,  0.04)
166:     bond    ( 13.334,   0.629,  -1.309)  ( 13.339,   0.633,  -1.305)  ( 0.04,  0.25,  0.29)
166:     angle   (  2.816, -10.985,  -2.204)  (  2.818, -10.983,  -2.202)  ( 0.07,  0.02,  0.10)
166:     strbnd  ( -8.882,  -0.451,   0.327)  ( -8.883,  -0.452,   0.326)  ( 0.02,  0.02,  0.01)
166:     torsion (  0.798,   1.843,  -1.911)  (  0.798,   1.843,  -1.911)  ( 0.00,  0.01,  0.01)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  7.392,   1.990,  -5.711)  (  7.392,   1.990,  -5.711)  ( 0.00,  0.00,  0.00)
166:     electro (  0.327,   0.152,  -3.602)  (  0.327,   0.152,  -3.602)  ( 0.00,  0.00,  0.00)
166:  6       ( 23.240,  20.461, -25.217)  ( 23.246,  20.467, -25.212)  ( 0.03,  0.03,  0.02)
166:     bond    (  5.775,   7.666, -25.091)  (  5.778,   7.670, -25.086)  ( 0.07,  0.05,  0.02)
166:     angle   (  1.263,   4.370, -10.670)  (  1.265,   4.372, -10.668)  ( 0.18,  0.05,  0.02)
166:     strbnd  (  1.829,   0.313,   6.376)  (  1.828,   0.312,   6.375)  ( 0.03,  0.02,  0.02)
166:     torsion (  2.320,   0.305,   0.903)  (  2.321,   0.305,   0.903)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  7.013,   1.540,  -5.601)  (  7.013,   1.540,  -5.601)  ( 0.00,  0.00,  0.00)
166:     electro (  5.041,   6.267,   8.866)  (  5.041,   6.267,   8.865)  ( 0.00,  0.00,  0.00)
166:  7       ( -5.321,  -8.169,  -8.288)  ( -5.316,  -8.164,  -8.283)  ( 0.11,  0.07,  0.07)
166:     bond    ( -5.766,  -6.148,  -8.390)  ( -5.762,  -6.144,  -8.385)  ( 0.07,  0.07,  0.05)
166:     angle   ( -0.655,  -5.211,  -2.282)  ( -0.653,  -5.209,  -2.280)  ( 0.12,  0.03,  0.08)
166:     strbnd  (  5.025,   4.822,   7.145)  (  5.024,   4.821,   7.144)  ( 0.01,  0.02,  0.01)
166:     torsion (  0.524,  -0.894,   0.352)  (  0.524,  -0.894,   0.352)  ( 0.00,  0.01,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -4.384,  -0.621,  -5.255)  ( -4.383,  -0.621,  -5.255)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.066,  -0.117,   0.141)  ( -0.066,  -0.117,   0.141)  ( 0.00,  0.00,  0.00)
166:  8       ( -6.827,  14.475,  22.925)  ( -6.821,  14.475,  22.975)  ( 0.08,  0.00,  0.22)
166:     bond    ( 11.385, -12.341, -10.198)  ( 11.388, -12.332, -10.191)  ( 0.03,  0.07,  0.07)
166:     angle   (-32.172,  28.633,  36.543)  (-32.169,  28.635,  36.546)  ( 0.01,  0.01,  0.01)
166:     strbnd  ( 23.556,  -6.610,  -5.451)  ( 23.555,  -6.611,  -5.452)  ( 0.00,  0.02,  0.02)
166:     torsion (  0.338,  -1.851,   0.344)  (  0.338,  -1.851,   0.344)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.005,   0.056,  -0.231)  ( -0.004,   0.046,  -0.190)  ( 0.00,  0.06,  0.96)
166:     vdw     (  1.478,   1.254,   4.534)  (  1.478,   1.254,   4.535)  ( 0.01,  0.00,  0.00)
166:     electro (-11.406,   5.334,  -2.617)  (-11.406,   5.334,  -2.617)  ( 0.00,  0.00,  0.00)
166:  9       (  5.719, -19.054, -11.028)  (  5.721, -19.052, -11.021)  ( 0.03,  0.01,  0.06)
166:     bond    (  1.485,   1.600,  -4.386)  (  1.486,   1.600,  -4.380)  ( 0.05,  0.05,  0.14)
166:     angle   (  5.763, -17.078,  -4.285)  (  5.764, -17.078,  -4.285)  ( 0.01,  0.00,  0.00)
166:     strbnd  ( -0.447,  -2.536,   3.420)  ( -0.447,  -2.536,   3.420)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.480,   0.079,   0.191)  (  0.480,   0.079,   0.191)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.856,   0.959,   2.952)  (  1.856,   0.959,   2.952)  ( 0.00,  0.00,  0.00)
166:     electro ( -3.417,  -2.078,  -8.920)  ( -3.417,  -2.078,  -8.920)  ( 0.00,  0.00,  0.00)
166: 10       ( 10.482,  -6.063, -18.767)  ( 10.483,  -6.056, -18.766)  ( 0.01,  0.12,  0.01)
166:     bond    (  0.309,  -3.128,   0.485)  (  0.309,  -3.121,   0.485)  ( 0.00,  0.24,  0.01)
166:     angle   ( 15.756,  -0.811, -15.260)  ( 15.757,  -0.811, -15.259)  ( 0.00,  0.00,  0.01)
166:     strbnd  (  0.664,   2.939,  -1.490)  (  0.664,   2.939,  -1.490)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.106,  -0.157,  -0.307)  ( -1.106,  -0.157,  -0.307)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.387,   3.365,   2.847)  ( -2.387,   3.365,   2.847)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.755,  -8.271,  -5.043)  ( -2.755,  -8.271,  -5.043)  ( 0.00,  0.00,  0.00)
166: 11       (-10.638,  -8.900,  -5.709)  (-10.635,  -8.866,  -5.820)  ( 0.03,  0.38,  1.94)
166:     bond    ( -6.709,   1.922,   1.059)  ( -6.705,   1.927,   1.060)  ( 0.06,  0.26,  0.04)
166:     angle   ( 24.355, -15.184, -15.338)  ( 24.357, -15.182, -15.338)  ( 0.01,  0.01,  0.00)
166:     strbnd  (-18.936,   1.986,   0.297)  (-18.936,   1.986,   0.297)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.305,  -0.296,   4.647)  (  0.305,  -0.296,   4.648)  ( 0.00,  0.00,  0.02)
166:     oop     (  0.009,  -0.160,   0.679)  (  0.007,  -0.133,   0.566)  ( 0.00,  0.43,  7.65)
166:     vdw     ( -9.578,   2.904,   3.010)  ( -9.577,   2.904,   3.010)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.085,  -0.071,  -0.064)  ( -0.085,  -0.071,  -0.064)  ( 0.00,  0.00,  0.00)
166: 12       (-21.260,  -0.793,  -2.235)  (-21.252,  -0.800,  -2.173)  ( 0.04,  0.56,  2.79)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dei_rxb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dej_rxc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dek_rxd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3df9_df9.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dgr_a12.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dh8_b4n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dha_c6l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dhc_cyk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dho_b2m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dhy_3dh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3di6_pdz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dj5_ak5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dj6_ak6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dj7_ak7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dj8_exy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3djk_g55.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dk1_g05.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dk3_sx7.sdf
168:     oop     (  0.012,  -0.004,  -0.006)  (  0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 10.865,   5.113,  -8.667)  ( 10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 46       (  8.348, -75.934, -23.913)  (  8.353, -75.928, -23.905)  ( 0.06,  0.01,  0.03)
168:     bond    ( 14.575, -43.264,  -7.494)  ( 14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
168:     angle   (  0.011,   0.075,  -0.029)  (  0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
168:     strbnd  (  4.670, -27.652,  -7.698)  (  4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
168:     torsion ( -0.031,   0.017,  -0.018)  ( -0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.012,   0.004,  -0.006)  ( -0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (-10.865,  -5.113,  -8.667)  (-10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 47       (-38.554, -47.306,  52.205)  (-38.549, -47.297,  52.209)  ( 0.01,  0.02,  0.01)
168:     bond    (-12.136, -26.884,  35.751)  (-12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
168:     angle   ( -0.007,  -0.081,  -0.014)  ( -0.006,  -0.079,  -0.013)  ( 0.00,  0.01,  0.00)
168:     strbnd  (-12.414, -17.160,  20.000)  (-12.413, -17.159,  20.000)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.017,  -0.014,   0.019)  (  0.017,  -0.014,   0.019)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.005,  -0.002,   0.006)  (  0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (-14.019,  -3.165,  -3.556)  (-14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 48       (-37.613,  -0.007, -70.710)  (-37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
168:     bond    (-31.161,  -0.003, -34.133)  (-31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
168:     angle   ( -0.051,  -0.002,  -0.024)  ( -0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
168:     strbnd  (-15.277,  -0.001, -24.743)  (-15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.022,  -0.000,   0.006)  ( -0.021,   0.000,   0.006)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.010,  -0.000,   0.005)  ( -0.011,   0.000,   0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (  8.908,  -0.000, -11.821)  (  8.908,  -0.000, -11.821)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 49       ( 23.900,   8.348,  75.919)  ( 23.905,   8.353,  75.928)  ( 0.02,  0.06,  0.01)
168:     bond    (  7.487,  14.575,  43.256)  (  7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
168:     angle   (  0.026,   0.011,  -0.077)  (  0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
168:     strbnd  (  7.696,   4.670,  27.650)  (  7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.018,  -0.031,  -0.018)  (  0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.006,  -0.012,  -0.004)  (  0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     (  8.667, -10.865,   5.113)  (  8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 50       (-54.913,  35.514, -24.139)  (-54.905,  35.518, -24.134)  ( 0.02,  0.01,  0.02)
168:     bond    (-26.884,  35.751, -12.136)  (-26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
168:     angle   (  8.310,  -2.331,   1.428)  (  8.312,  -2.330,   1.429)  ( 0.02,  0.05,  0.09)
168:     strbnd  (-33.157,   3.792,  -2.400)  (-33.157,   3.793,  -2.399)  ( 0.00,  0.02,  0.04)
168:     torsion ( -0.015,   1.852,   2.983)  ( -0.015,   1.853,   2.983)  ( 0.00,  0.03,  0.01)
168:     oop     ( -0.002,   0.006,   0.005)  ( -0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.165,  -3.556, -14.019)  ( -3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 51       ( -8.357, -75.934, -23.913)  ( -8.353, -75.928, -23.905)  ( 0.04,  0.01,  0.03)
168:     bond    (-14.578, -43.264,  -7.494)  (-14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
168:     angle   ( -0.013,   0.075,  -0.029)  ( -0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
168:     strbnd  ( -4.671, -27.652,  -7.698)  ( -4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
168:     torsion (  0.030,   0.017,  -0.018)  (  0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.012,   0.004,  -0.006)  (  0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 10.865,  -5.113,  -8.667)  ( 10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 52       ( 37.554, -49.775,  56.098)  ( 37.561, -49.767,  56.102)  ( 0.02,  0.02,  0.01)
168:     bond    ( 12.130, -26.884,  35.751)  ( 12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
168:     angle   (  1.671,   3.010,   0.624)  (  1.672,   3.012,   0.625)  ( 0.08,  0.05,  0.07)
168:     strbnd  ( 11.182, -22.719,  19.528)  ( 11.183, -22.718,  19.529)  ( 0.01,  0.00,  0.00)
168:     torsion ( -1.441,  -0.016,   3.746)  ( -1.441,  -0.015,   3.746)  ( 0.03,  0.00,  0.02)
168:     oop     ( -0.006,  -0.002,   0.006)  ( -0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 14.019,  -3.165,  -3.556)  ( 14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 53       ( 57.517,  33.960,  18.680)  ( 57.526,  33.965,  18.684)  ( 0.02,  0.02,  0.02)
168:     bond    ( 43.256,   7.487,  14.575)  ( 43.260,   7.491,  14.577)  ( 0.01,  0.04,  0.01)
168:     angle   ( -5.272,  -6.052,  -3.749)  ( -5.270,  -6.051,  -3.748)  ( 0.03,  0.03,  0.03)
168:     strbnd  ( 14.441,  25.672,  15.790)  ( 14.443,  25.673,  15.791)  ( 0.01,  0.00,  0.00)
168:     torsion ( -0.018,  -1.820,   2.940)  ( -0.018,  -1.820,   2.940)  ( 0.00,  0.02,  0.02)
168:     oop     ( -0.004,   0.006,  -0.012)  ( -0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     (  5.113,   8.667, -10.865)  (  5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 54       (-52.445,  20.194,   0.196)  (-52.439,  20.201,   0.199)  ( 0.01,  0.03,  0.06)
168:     bond    (-30.817,  15.080,  19.379)  (-30.813,  15.086,  19.380)  ( 0.01,  0.03,  0.00)
168:     angle   (  5.186,   6.102,   3.821)  (  5.188,   6.103,   3.822)  ( 0.04,  0.03,  0.02)
168:     strbnd  (-26.815, -14.634, -11.154)  (-26.815, -14.635, -11.154)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.000,   1.831,  -2.952)  (  0.001,   1.831,  -2.951)  ( 0.00,  0.01,  0.02)
168:     oop     ( -0.000,  -0.005,   0.010)  (  0.000,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.000,  11.821,  -8.908)  (  0.000,  11.821,  -8.908)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 55       ( 37.554,  49.762,  56.098)  ( 37.561,  49.767,  56.102)  ( 0.02,  0.01,  0.01)
168:     bond    ( 12.130,  26.876,  35.751)  ( 12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
168:     angle   (  1.671,  -3.013,   0.624)  (  1.672,  -3.012,   0.625)  ( 0.08,  0.05,  0.07)
168:     strbnd  ( 11.182,  22.717,  19.528)  ( 11.183,  22.718,  19.529)  ( 0.01,  0.00,  0.00)
168:     torsion ( -1.441,   0.015,   3.746)  ( -1.441,   0.015,   3.746)  ( 0.03,  0.00,  0.02)
168:     oop     ( -0.006,   0.002,   0.006)  ( -0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 14.019,   3.164,  -3.556)  ( 14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 56       (-38.554,  47.292,  52.205)  (-38.549,  47.297,  52.209)  ( 0.01,  0.01,  0.01)
168:     bond    (-12.136,  26.876,  35.751)  (-12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
168:     angle   ( -0.007,   0.078,  -0.014)  ( -0.006,   0.079,  -0.013)  ( 0.00,  0.01,  0.00)
168:     strbnd  (-12.414,  17.157,  20.000)  (-12.413,  17.159,  20.000)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.017,   0.014,   0.019)  (  0.017,   0.014,   0.019)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.005,   0.002,   0.006)  (  0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (-14.019,   3.164,  -3.556)  (-14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dkf_sx8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dkl_unu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dko_ihz.sdf
173: ok 1 # molecular formula
173: ok 2 # molecular weight
173: ok 3 # molecular exact mass
173: ok 4 # molecular hydrogen-added formula
173: ok 5 # molecule + hydrogens weight
173: ok 6 # molecular exact mass after hydrogen addition
173: ok 7 # molecular formula
173: ok 8 # molecular weight
173: ok 9 # molecular exact mass
173: ok 10 # molecular hydrogen-added formula
173: ok 11 # molecule + hydrogens weight
173: ok 12 # molecular exact mass after hydrogen addition
173: ok 13 # molecular formula
173: ok 14 # molecular weight
173: ok 15 # molecular exact mass
173: ok 16 # molecular hydrogen-added formula
173: ok 17 # molecule + hydrogens weight
173: ok 18 # molecular exact mass after hydrogen addition
173: ok 19 # molecular formula
173: ok 20 # molecular weight
173: ok 21 # molecular exact mass
173: ok 22 # molecular hydrogen-added formula
173: ok 23 # molecule + hydrogens weight
173: ok 24 # molecular exact mass after hydrogen addition
173: ok 25 # molecular formula
173: ok 26 # molecular weight
173: ok 27 # molecular exact mass
173: ok 28 # molecular hydrogen-added formula
173: ok 29 # molecule + hydrogens weight
173: ok 30 # molecular exact mass after hydrogen addition
173: ok 31 # molecular formula
173: ok 32 # molecular weight
173: ok 33 # molecular exact mass
173: ok 34 # molecular hydrogen-added formula
173: ok 35 # molecule + hydrogens weight
173: ok 36 # molecular exact mass after hydrogen addition
173: ok 37 # molecular formula
173: ok 38 # molecular weight
173: ok 39 # molecular exact mass
173: ok 40 # molecular hydrogen-added formula
173: ok 41 # molecule + hydrogens weight
173: ok 42 # molecular exact mass after hydrogen addition
173: ok 43 # molecular formula
173: ok 44 # molecular weight
173: ok 45 # molecular exact mass
173: ok 46 # molecular hydrogen-added formula
173: ok 47 # molecule + hydrogens weight
173: ok 48 # molecular exact mass after hydrogen addition
173: ok 49 # molecular formula
173: ok 50 # molecular weight
173: ok 51 # molecular exact mass
173: ok 52 # molecular hydrogen-added formula
173: ok 53 # molecule + hydrogens weight
173: ok 54 # molecular exact mass after hydrogen addition
173: ok 55 # molecular formula
173: ok 56 # molecular weight
173: ok 57 # molecular exact mass
173: ok 58 # molecular hydrogen-added formula
173: ok 59 # molecule + hydrogens weight
173: ok 60 # molecular exact mass after hydrogen addition
173: ok 61 # molecular formula
173: ok 62 # molecular weight
173: ok 63 # molecular exact mass
173: ok 64 # molecular hydrogen-added formula
173: ok 65 # molecule + hydrogens weight
173: ok 66 # molecular exact mass after hydrogen addition
173: ok 67 # molecular formula
173: ok 68 # molecular weight
173: ok 69 # molecular exact mass
173: ok 70 # molecular hydrogen-added formula
173: ok 71 # molecule + hydrogens weight
173: ok 72 # molecular exact mass after hydrogen addition
173: ok 73 # molecular formula
173: ok 74 # molecular weight
173: ok 75 # molecular exact mass
173: ok 76 # molecular hydrogen-added formula
173: ok 77 # molecule + hydrogens weight
173: ok 78 # molecular exact mass after hydrogen addition
173: ok 79 # molecular formula
173: ok 80 # molecular weight
173: ok 81 # molecular exact mass
173: ok 82 # molecular hydrogen-added formula
173: ok 83 # molecule + hydrogens weight
173: ok 84 # molecular exact mass after hydrogen addition
173: ok 85 # molecular formula
173: ok 86 # molecular weight
173: ok 87 # molecular exact mass
173: ok 88 # molecular hydrogen-added formula
173: ok 89 # molecule + hydrogens weight
173: ok 90 # molecular exact mass after hydrogen addition
173: ok 91 # molecular formula
173: ok 92 # molecular weight
173: ok 93 # molecular exact mass
173: ok 94 # molecular hydrogen-added formula
173: ok 95 # molecule + hydrogens weight
173: ok 96 # molecular exact mass after hydrogen addition
173: ok 97 # molecular formula
173: ok 98 # molecular weight
173: ok 99 # molecular exact mass
173: ok 100 # molecular hydrogen-added formula
173: ok 101 # molecule + hydrogens weight
173: ok 102 # molecular exact mass after hydrogen addition
173: ok 103 # molecular formula
173: ok 104 # molecular weight
173: ok 105 # molecular exact mass
173: ok 106 # molecular hydrogen-added formula
173: ok 107 # molecule + hydrogens weight
173: ok 108 # molecular exact mass after hydrogen addition
173: ok 109 # molecular formula
173: ok 110 # molecular weight
173: ok 111 # molecular exact mass
173: ok 112 # molecular hydrogen-added formula
173: ok 113 # molecule + hydrogens weight
173: ok 114 # molecular exact mass after hydrogen addition
173: ok 115 # molecular formula
173: ok 116 # molecular weight
173: ok 117 # molecular exact mass
173: ok 118 # molecular hydrogen-added formula
173: ok 119 # molecule + hydrogens weight
173: ok 120 # molecular exact mass after hydrogen addition
173: ok 121 # molecular formula
173: ok 122 # molecular weight
173: ok 123 # molecular exact mass
173: ok 124 # molecular hydrogen-added formula
173: ok 125 # molecule + hydrogens weight
173: ok 126 # molecular exact mass after hydrogen addition
173: ok 127 # molecular formula
173: ok 128 # molecular weight
173: ok 129 # molecular exact mass
173: ok 130 # molecular hydrogen-added formula
173: ok 131 # molecule + hydrogens weight
173: ok 132 # molecular exact mass after hydrogen addition
173: ok 133 # molecular formula
173: ok 134 # molecular weight
173: ok 135 # molecular exact mass
173: ok 136 # molecular hydrogen-added formula
173: ok 137 # molecule + hydrogens weight
173: ok 138 # molecular exact mass after hydrogen addition
173: ok 139 # molecular formula
173: ok 140 # molecular weight
173: ok 141 # molecular exact mass
173: ok 142 # molecular hydrogen-added formula
173: ok 143 # molecule + hydrogens weight
173: ok 144 # molecular exact mass after hydrogen addition
173: ok 145 # molecular formula
173: ok 146 # molecular weight
173: ok 147 # molecular exact mass
173: ok 148 # molecular hydrogen-added formula
173: ok 149 # molecule + hydrogens weight
173: ok 150 # molecular exact mass after hydrogen addition
173: ok 151 # molecular formula
173: ok 152 # molecular weight
173: ok 153 # molecular exact mass
173: ok 154 # molecular hydrogen-added formula
173: ok 155 # molecule + hydrogens weight
173: ok 156 # molecular exact mass after hydrogen addition
173: ok 157 # molecular formula
173: ok 158 # molecular weight
173: ok 159 # molecular exact mass
173: ok 160 # molecular hydrogen-added formula
173: ok 161 # molecule + hydrogens weight
173: ok 162 # molecular exact mass after hydrogen addition
173: ok 163 # molecular formula
173: ok 164 # molecular weight
173: ok 165 # molecular exact mass
173: ok 166 # molecular hydrogen-added formula
173: ok 167 # molecule + hydrogens weight
173: ok 168 # molecular exact mass after hydrogen addition
173: ok 169 # molecular formula
173: ok 170 # molecular weight
173: ok 171 # molecular exact mass
173: ok 172 # molecular hydrogen-added formula
173: ok 173 # molecule + hydrogens weight
173: ok 174 # molecular exact mass after hydrogen addition
173: ok 175 # molecular formula
173: ok 176 # molecular weight
173: ok 177 # molecular exact mass
173: ok 178 # molecular hydrogen-added formula
173: ok 179 # molecule + hydrogens weight
173: ok 180 # molecular exact mass after hydrogen addition
173: ok 181 # molecular formula
173: ok 182 # molecular weight
173: ok 183 # molecular exact mass
173: ok 184 # molecular hydrogen-added formula
173: ok 185 # molecule + hydrogens weight
173: ok 186 # molecular exact mass after hydrogen addition
173: ok 187 # molecular formula
173: ok 188 # molecular weight
173: ok 189 # molecular exact mass
173: ok 190 # molecular hydrogen-added formula
173: ok 191 # molecule + hydrogens weight
173: ok 192 # molecular exact mass after hydrogen addition
173: ok 193 # molecular formula
173: ok 194 # molecular weight
173: ok 195 # molecular exact mass
173: ok 196 # molecular hydrogen-added formula
173: ok 197 # molecule + hydrogens weight
173: ok 198 # molecular exact mass after hydrogen addition
173: ok 199 # molecular formula
173: ok 200 # molecular weight
173: ok 201 # molecular exact mass
173: ok 202 # molecular hydrogen-added formula
173: ok 203 # molecule + hydrogens weight
173: ok 204 # molecular exact mass after hydrogen addition
173: ok 205 # molecular formula
173: ok 206 # molecular weight
173: ok 207 # molecular exact mass
173: ok 208 # molecular hydrogen-added formula
173: ok 209 # molecule + hydrogens weight
173: ok 210 # molecular exact mass after hydrogen addition
173: ok 211 # molecular formula
173: ok 212 # molecular weight
173: ok 213 # molecular exact mass
173: ok 214 # molecular hydrogen-added formula
173: ok 215 # molecule + hydrogens weight
173: ok 216 # molecular exact mass after hydrogen addition
173: ok 217 # molecular formula
173: ok 218 # molecular weight
173: ok 219 # molecular exact mass
173: ok 220 # molecular hydrogen-added formula
173: ok 221 # molecule + hydrogens weight
173: ok 222 # molecular exact mass after hydrogen addition
173: ok 223 # molecular formula
173: ok 224 # molecular weight
173: ok 225 # molecular exact mass
173: ok 226 # molecular hydrogen-added formula
173: ok 227 # molecule + hydrogens weight
173: ok 228 # molecular exact mass after hydrogen addition
173: ok 229 # molecular formula
173: ok 230 # molecular weight
173: ok 231 # molecular exact mass
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dl9_v2h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dle_gfa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dlg_gwe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dn5_53n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dnd_ll2.sdf
166:     bond    (  1.922,   0.917,   0.032)  (  1.927,   0.922,   0.032)  ( 0.28,  0.47,  0.00)
166:     angle   ( -9.984,   2.922,   1.064)  ( -9.983,   2.923,   1.065)  ( 0.02,  0.05,  0.01)
166:     strbnd  (-10.267,   7.335,   1.838)  (-10.267,   7.335,   1.838)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.034,   0.453,  -2.054)  ( -0.034,   0.453,  -2.053)  ( 0.00,  0.00,  0.06)
166:     oop     ( -0.004,   0.086,  -0.378)  ( -0.003,   0.072,  -0.317)  ( 0.00,  0.12,  2.29)
166:     vdw     ( -6.756, -10.594,  -1.657)  ( -6.755, -10.594,  -1.657)  ( 0.00,  0.00,  0.00)
166:     electro (  3.862,  -1.910,  -1.080)  (  3.862,  -1.910,  -1.080)  ( 0.00,  0.00,  0.00)
166: 13       ( 11.035, -18.539,  -9.258)  ( 11.043, -18.545,  -9.206)  ( 0.07,  0.03,  0.56)
166:     bond    (  3.557,   7.206,   1.481)  (  3.562,   7.211,   1.482)  ( 0.15,  0.07,  0.03)
166:     angle   (  3.498, -21.802,  -5.738)  (  3.500, -21.801,  -5.738)  ( 0.04,  0.01,  0.00)
166:     strbnd  ( 11.124,   5.598,   1.224)  ( 11.124,   5.598,   1.224)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.010,   0.214,  -0.783)  ( -0.010,   0.214,  -0.782)  ( 0.00,  0.00,  0.10)
166:     oop     ( -0.007,   0.075,  -0.292)  ( -0.006,   0.062,  -0.242)  ( 0.00,  0.09,  1.46)
166:     vdw     ( -8.946,  -9.231,  -4.972)  ( -8.946,  -9.231,  -4.972)  ( 0.00,  0.00,  0.00)
166:     electro (  1.819,  -0.598,  -0.177)  (  1.819,  -0.598,  -0.177)  ( 0.00,  0.00,  0.00)
166: 14       (-13.572,  -2.062,   4.766)  (-13.566,  -2.037,   4.696)  ( 0.04,  1.21,  1.46)
166:     bond    (-26.978,  13.126,   4.300)  (-26.972,  13.131,   4.300)  ( 0.02,  0.03,  0.01)
166:     angle   (-18.118,  -9.493,   4.254)  (-18.116,  -9.491,   4.254)  ( 0.01,  0.02,  0.00)
166:     strbnd  ( 29.827,  -3.579,  -1.396)  ( 29.826,  -3.579,  -1.395)  ( 0.00,  0.00,  0.01)
166:     torsion ( -0.134,  -1.037,   2.744)  ( -0.134,  -1.037,   2.746)  ( 0.00,  0.01,  0.04)
166:     oop     (  0.011,  -0.106,   0.410)  (  0.009,  -0.087,   0.339)  ( 0.00,  0.20,  2.94)
166:     vdw     (  1.699,  -1.418,  -5.301)  (  1.699,  -1.418,  -5.301)  ( 0.01,  0.01,  0.00)
166:     electro (  0.121,   0.445,  -0.246)  (  0.121,   0.445,  -0.246)  ( 0.00,  0.00,  0.00)
166: 15       ( 12.500, -13.787,  -4.766)  ( 12.462, -13.787,  -4.588)  ( 0.30,  0.01,  3.74)
166:     bond    ( -5.136, -10.558,  -3.032)  ( -5.131, -10.553,  -3.032)  ( 0.09,  0.04,  0.02)
166:     angle   (  2.758, -11.175,   3.017)  (  2.760, -11.174,   3.017)  ( 0.07,  0.02,  0.00)
166:     strbnd  (  9.858,  -2.806,  -1.156)  (  9.859,  -2.806,  -1.156)  ( 0.00,  0.00,  0.01)
166:     torsion ( -0.006,   0.855,  -3.398)  ( -0.006,   0.855,  -3.397)  ( 0.00,  0.01,  0.04)
166:     oop     (  0.274,   0.043,  -1.066)  (  0.229,   0.036,  -0.889)  ( 1.23,  0.03, 16.55)
166:     vdw     (  6.480,   9.337,   1.077)  (  6.480,   9.337,   1.077)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.729,   0.517,  -0.209)  ( -1.729,   0.517,  -0.209)  ( 0.00,  0.00,  0.00)
166: 16       (-16.865,  18.909,   6.325)  (-16.857,  18.931,   6.271)  ( 0.04,  0.12,  0.85)
166:     bond    (  8.237,  -4.438,  -0.410)  (  8.242,  -4.433,  -0.410)  ( 0.06,  0.11,  0.02)
166:     angle   (-15.113,  19.214,   5.231)  (-15.111,  19.215,   5.231)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -4.665,  -2.331,  -0.554)  ( -4.666,  -2.331,  -0.554)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.007,   0.399,  -1.363)  (  0.007,   0.399,  -1.362)  ( 0.00,  0.00,  0.09)
166:     oop     ( -0.002,  -0.093,   0.333)  ( -0.001,  -0.078,   0.278)  ( 0.00,  0.14,  1.84)
166:     vdw     ( -7.680,   8.051,   3.527)  ( -7.680,   8.051,   3.527)  ( 0.00,  0.00,  0.00)
166:     electro (  2.351,  -1.893,  -0.439)  (  2.351,  -1.893,  -0.439)  ( 0.00,  0.00,  0.00)
166: 17       ( -6.733,  21.609,   7.933)  ( -6.728,  21.608,   7.955)  ( 0.08,  0.00,  0.28)
166:     bond    (  2.115,   1.161,  -0.091)  (  2.119,   1.164,  -0.091)  ( 0.20,  0.31,  0.00)
166:     angle   ( 25.721,  28.686,   2.043)  ( 25.721,  28.687,   2.043)  ( 0.00,  0.00,  0.01)
166:     strbnd  (-34.795,  -0.918,   2.926)  (-34.795,  -0.918,   2.926)  ( 0.00,  0.00,  0.01)
166:     torsion (  0.088,  -0.609,   5.097)  (  0.088,  -0.609,   5.098)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.003,   0.029,  -0.113)  ( -0.002,   0.024,  -0.092)  ( 0.00,  0.02,  0.25)
166:     vdw     (  0.333,  -8.190,  -5.814)  (  0.333,  -8.190,  -5.813)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.192,   1.450,   3.884)  ( -0.192,   1.450,   3.884)  ( 0.00,  0.00,  0.00)
166: 18       (  5.790, -10.626,  -8.101)  (  5.796, -10.620,  -8.095)  ( 0.10,  0.05,  0.07)
166:     bond    (  8.725, -11.934,  -3.140)  (  8.729, -11.929,  -3.136)  ( 0.04,  0.04,  0.13)
166:     angle   ( -9.764,  -7.159,  -6.067)  ( -9.762,  -7.157,  -6.065)  ( 0.02,  0.03,  0.03)
166:     strbnd  ( -5.015,  10.337,   3.735)  ( -5.015,  10.336,   3.735)  ( 0.00,  0.02,  0.02)
166:     torsion ( -0.197,   1.065,  -2.228)  ( -0.197,   1.065,  -2.228)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( 10.854,  -1.808,   0.220)  ( 10.854,  -1.808,   0.220)  ( 0.00,  0.00,  0.00)
166:     electro (  1.186,  -1.127,  -0.621)  (  1.186,  -1.127,  -0.621)  ( 0.00,  0.00,  0.00)
166: 19       (  3.262, -11.126,   7.782)  (  3.268, -11.121,   7.787)  ( 0.17,  0.05,  0.06)
166:     bond    (  1.121,  -2.081,   3.281)  (  1.125,  -2.077,   3.285)  ( 0.37,  0.19,  0.12)
166:     angle   ( -4.420,  -2.772,   7.469)  ( -4.418,  -2.771,   7.471)  ( 0.04,  0.06,  0.02)
166:     strbnd  (  0.275,   1.768,  -3.446)  (  0.274,   1.768,  -3.447)  ( 0.01,  0.03,  0.03)
166:     torsion (  2.173,  -4.215,  -2.094)  (  2.173,  -4.215,  -2.094)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.113,  -3.826,   2.573)  (  4.113,  -3.826,   2.573)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 20       ( -6.870,  36.702,  -5.681)  ( -6.722,  36.693,  -6.048)  ( 2.15,  0.02,  6.46)
166:     bond    (-25.048,  -5.303,  -9.231)  (-25.043,  -5.295,  -9.230)  ( 0.02,  0.16,  0.01)
166:     angle   ( 27.154,  45.020,   3.962)  ( 27.157,  45.022,   3.962)  ( 0.01,  0.01,  0.00)
166:     strbnd  ( -8.325,   2.343,  -3.287)  ( -8.326,   2.342,  -3.287)  ( 0.01,  0.03,  0.00)
166:     torsion ( -0.784,   0.421,   0.854)  ( -0.784,   0.421,   0.855)  ( 0.01,  0.00,  0.10)
166:     oop     ( -0.853,   0.117,   2.254)  ( -0.713,   0.098,   1.885)  (11.97,  0.23, 16.38)
166:     vdw     ( -7.531,  -5.686,  -2.010)  ( -7.531,  -5.686,  -2.010)  ( 0.00,  0.00,  0.00)
166:     electro (  8.518,  -0.209,   1.778)  (  8.518,  -0.209,   1.778)  ( 0.00,  0.00,  0.00)
166: 21       (-22.969,  25.239, -11.051)  (-22.997,  25.251, -10.962)  ( 0.12,  0.05,  0.80)
166:     bond    (  1.411,  -0.192,   0.529)  (  1.413,  -0.184,   0.530)  ( 0.16,  0.16,  0.02)
166:     angle   (-46.884,  20.267, -18.839)  (-46.882,  20.268, -18.839)  ( 0.00,  0.00,  0.00)
166:     strbnd  ( 12.752,   3.510,   4.513)  ( 12.751,   3.510,   4.513)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.598,   0.098,   1.696)  ( -0.597,   0.098,   1.697)  ( 0.01,  0.00,  0.05)
166:     oop     (  0.246,  -0.028,  -0.654)  (  0.213,  -0.025,  -0.567)  ( 0.80,  0.01,  5.70)
166:     vdw     (  4.514,   7.067,  -1.941)  (  4.514,   7.067,  -1.941)  ( 0.00,  0.00,  0.00)
166:     electro (  5.590,  -5.484,   3.645)  (  5.590,  -5.484,   3.645)  ( 0.00,  0.00,  0.00)
166: 22       ( 25.973,  -4.939,  11.390)  ( 25.954,  -4.927,  11.463)  ( 0.08,  0.25,  0.64)
166:     bond    (  5.877,  -7.278,   2.737)  (  5.883,  -7.273,   2.738)  ( 0.10,  0.07,  0.03)
166:     angle   ( 43.794,  -7.031,  17.104)  ( 43.796,  -7.028,  17.104)  ( 0.00,  0.03,  0.00)
166:     strbnd  (-22.680,  -3.722,  -8.477)  (-22.681,  -3.722,  -8.477)  ( 0.00,  0.01,  0.00)
166:     torsion (  0.130,  -0.036,  -0.336)  (  0.130,  -0.036,  -0.335)  ( 0.00,  0.00,  0.04)
166:     oop     (  0.109,  -0.020,  -0.288)  (  0.082,  -0.015,  -0.218)  ( 0.29,  0.01,  2.03)
166:     vdw     ( -2.056,  15.026,   0.263)  ( -2.056,  15.026,   0.263)  ( 0.00,  0.00,  0.00)
166:     electro (  0.800,  -1.878,   0.388)  (  0.800,  -1.878,   0.388)  ( 0.00,  0.00,  0.00)
166: 23       (-28.137, -37.839,  -8.334)  (-28.148, -37.828,  -8.283)  ( 0.04,  0.03,  0.61)
166:     bond    ( -0.604, -30.983,   1.773)  ( -0.599, -30.977,   1.774)  ( 0.32,  0.02,  0.05)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dne_ll1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dng_axa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dog_nnn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dok_gwj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dol_gwi.sdf
173: ok 232 # molecular hydrogen-added formula
173: ok 233 # molecule + hydrogens weight
173: ok 234 # molecular exact mass after hydrogen addition
173: ok 235 # molecular formula
173: ok 236 # molecular weight
173: ok 237 # molecular exact mass
173: ok 238 # molecular hydrogen-added formula
173: ok 239 # molecule + hydrogens weight
173: ok 240 # molecular exact mass after hydrogen addition
173: ok 241 # molecular formula
173: ok 242 # molecular weight
173: ok 243 # molecular exact mass
173: ok 244 # molecular hydrogen-added formula
173: ok 245 # molecule + hydrogens weight
173: ok 246 # molecular exact mass after hydrogen addition
173: ok 247 # molecular formula
173: ok 248 # molecular weight
173: ok 249 # molecular exact mass
173: ok 250 # molecular hydrogen-added formula
173: ok 251 # molecule + hydrogens weight
173: ok 252 # molecular exact mass after hydrogen addition
173: ok 253 # molecular formula
173: ok 254 # molecular weight
173: ok 255 # molecular exact mass
173: ok 256 # molecular hydrogen-added formula
173: ok 257 # molecule + hydrogens weight
173: ok 258 # molecular exact mass after hydrogen addition
173: ok 259 # molecular formula
173: ok 260 # molecular weight
173: ok 261 # molecular exact mass
173: ok 262 # molecular hydrogen-added formula
173: ok 263 # molecule + hydrogens weight
173: ok 264 # molecular exact mass after hydrogen addition
173: ok 265 # molecular formula
173: ok 266 # molecular weight
173: ok 267 # molecular exact mass
173: ok 268 # molecular hydrogen-added formula
173: ok 269 # molecule + hydrogens weight
173: ok 270 # molecular exact mass after hydrogen addition
173: ok 271 # molecular formula
173: ok 272 # molecular weight
173: ok 273 # molecular exact mass
173: ok 274 # molecular hydrogen-added formula
173: ok 275 # molecule + hydrogens weight
173: ok 276 # molecular exact mass after hydrogen addition
173: ok 277 # molecular formula
173: ok 278 # molecular weight
173: ok 279 # molecular exact mass
173: ok 280 # molecular hydrogen-added formula
173: ok 281 # molecule + hydrogens weight
173: ok 282 # molecular exact mass after hydrogen addition
173: ok 283 # molecular formula
173: ok 284 # molecular weight
173: ok 285 # molecular exact mass
173: ok 286 # molecular hydrogen-added formula
173: ok 287 # molecule + hydrogens weight
173: ok 288 # molecular exact mass after hydrogen addition
173: ok 289 # molecular formula
173: ok 290 # molecular weight
173: ok 291 # molecular exact mass
173: ok 292 # molecular hydrogen-added formula
173: ok 293 # molecule + hydrogens weight
173: ok 294 # molecular exact mass after hydrogen addition
173: ok 295 # molecular formula
173: ok 296 # molecular weight
173: ok 297 # molecular exact mass
173: ok 298 # molecular hydrogen-added formula
173: ok 299 # molecule + hydrogens weight
173: ok 300 # molecular exact mass after hydrogen addition
173: ok 301 # molecular formula
173: ok 302 # molecular weight
173: ok 303 # molecular exact mass
173: ok 304 # molecular hydrogen-added formula
173: ok 305 # molecule + hydrogens weight
173: ok 306 # molecular exact mass after hydrogen addition
173: ok 307 # molecular formula
173: ok 308 # molecular weight
173: ok 309 # molecular exact mass
173: ok 310 # molecular hydrogen-added formula
173: ok 311 # molecule + hydrogens weight
173: ok 312 # molecular exact mass after hydrogen addition
173: ok 313 # molecular formula
173: ok 314 # molecular weight
173: ok 315 # molecular exact mass
173: ok 316 # molecular hydrogen-added formula
173: ok 317 # molecule + hydrogens weight
173: ok 318 # molecular exact mass after hydrogen addition
173: ok 319 # molecular formula
173: ok 320 # molecular weight
173: ok 321 # molecular exact mass
173: ok 322 # molecular hydrogen-added formula
173: ok 323 # molecule + hydrogens weight
173: ok 324 # molecular exact mass after hydrogen addition
173: ok 325 # molecular formula
173: ok 326 # molecular weight
173: ok 327 # molecular exact mass
173: ok 328 # molecular hydrogen-added formula
173: ok 329 # molecule + hydrogens weight
173: ok 330 # molecular exact mass after hydrogen addition
173: ok 331 # molecular formula
173: ok 332 # molecular weight
173: ok 333 # molecular exact mass
173: ok 334 # molecular hydrogen-added formula
173: ok 335 # molecule + hydrogens weight
173: ok 336 # molecular exact mass after hydrogen addition
173: ok 337 # molecular formula
173: ok 338 # molecular weight
173: ok 339 # molecular exact mass
173: ok 340 # molecular hydrogen-added formula
173: ok 341 # molecule + hydrogens weight
173: ok 342 # molecular exact mass after hydrogen addition
173: ok 343 # molecular formula
173: ok 344 # molecular weight
173: ok 345 # molecular exact mass
173: ok 346 # molecular hydrogen-added formula
173: ok 347 # molecule + hydrogens weight
173: ok 348 # molecular exact mass after hydrogen addition
173: ok 349 # molecular formula
173: ok 350 # molecular weight
173: ok 351 # molecular exact mass
173: ok 352 # molecular hydrogen-added formula
173: ok 353 # molecule + hydrogens weight
173: ok 354 # molecular exact mass after hydrogen addition
173: ok 355 # molecular formula
173: ok 356 # molecular weight
173: ok 357 # molecular exact mass
173: ok 358 # molecular hydrogen-added formula
173: ok 359 # molecule + hydrogens weight
173: ok 360 # molecular exact mass after hydrogen addition
173: ok 361 # molecular formula
173: ok 362 # molecular weight
173: ok 363 # molecular exact mass
173: ok 364 # molecular hydrogen-added formula
173: ok 365 # molecule + hydrogens weight
173: ok 366 # molecular exact mass after hydrogen addition
173: ok 367 # molecular formula
173: ok 368 # molecular weight
173: ok 369 # molecular exact mass
173: ok 370 # molecular hydrogen-added formula
173: ok 371 # molecule + hydrogens weight
173: ok 372 # molecular exact mass after hydrogen addition
173: ok 373 # molecular formula
173: ok 374 # molecular weight
173: ok 375 # molecular exact mass
173: ok 376 # molecular hydrogen-added formula
173: ok 377 # molecule + hydrogens weight
173: ok 378 # molecular exact mass after hydrogen addition
173: ok 379 # molecular formula
173: ok 380 # molecular weight
173: ok 381 # molecular exact mass
173: ok 382 # molecular hydrogen-added formula
173: ok 383 # molecule + hydrogens weight
173: ok 384 # molecular exact mass after hydrogen addition
173: ok 385 # molecular formula
173: ok 386 # molecular weight
173: ok 387 # molecular exact mass
173: ok 388 # molecular hydrogen-added formula
173: ok 389 # molecule + hydrogens weight
173: ok 390 # molecular exact mass after hydrogen addition
173: ok 391 # molecular formula
173: ok 392 # molecular weight
173: ok 393 # molecular exact mass
173: ok 394 # molecular hydrogen-added formula
173: ok 395 # molecule + hydrogens weight
173: ok 396 # molecular exact mass after hydrogen addition
173: ok 397 # molecular formula
173: ok 398 # molecular weight
173: ok 399 # molecular exact mass
173: ok 400 # molecular hydrogen-added formula
173: ok 401 # molecule + hydrogens weight
173: ok 402 # molecular exact mass after hydrogen addition
173: ok 403 # molecular formula
173: ok 404 # molecular weight
173: ok 405 # molecular exact mass
173: ok 406 # molecular hydrogen-added formula
173: ok 407 # molecule + hydrogens weight
173: ok 408 # molecular exact mass after hydrogen addition
173: ok 409 # molecular formula
173: ok 410 # molecular weight
173: ok 411 # molecular exact mass
173: ok 412 # molecular hydrogen-added formula
173: ok 413 # molecule + hydrogens weight
173: ok 414 # molecular exact mass after hydrogen addition
173: ok 415 # molecular formula
173: ok 416 # molecular weight
173: ok 417 # molecular exact mass
173: ok 418 # molecular hydrogen-added formula
173: ok 419 # molecule + hydrogens weight
173: ok 420 # molecular exact mass after hydrogen addition
173: ok 421 # molecular formula
173: ok 422 # molecular weight
173: ok 423 # molecular exact mass
173: ok 424 # molecular hydrogen-added formula
173: ok 425 # molecule + hydrogens weight
173: ok 426 # molecular exact mass after hydrogen addition
173: ok 427 # molecular formula
173: ok 428 # molecular weight
173: ok 429 # molecular exact mass
173: ok 430 # molecular hydrogen-added formula
173: ok 431 # molecule + hydrogens weight
173: ok 432 # molecular exact mass after hydrogen addition
173: ok 433 # molecular formula
173: ok 434 # molecular weight
173: ok 435 # molecular exact mass
173: ok 436 # molecular hydrogen-added formula
173: ok 437 # molecule + hydrogens weight
173: ok 438 # molecular exact mass after hydrogen addition
173: ok 439 # molecular formula
173: ok 440 # molecular weight
173: ok 441 # molecular exact mass
173: ok 442 # molecular hydrogen-added formula
173: ok 443 # molecule + hydrogens weight
173: ok 444 # molecular exact mass after hydrogen addition
173: ok 445 # molecular formula
173: ok 446 # molecular weight
173: ok 447 # molecular exact mass
173: ok 448 # molecular hydrogen-added formula
173: ok 449 # molecule + hydrogens weight
173: ok 450 # molecular exact mass after hydrogen addition
173: ok 451 # molecular formula
173: ok 452 # molecular weight
173: ok 453 # molecular exact mass
173: ok 454 # molecular hydrogen-added formula
173: ok 455 # molecule + hydrogens weight
173: ok 456 # molecular exact mass after hydrogen addition
173: ok 457 # molecular formula
173: ok 458 # molecular weight
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dop_bdt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3doy_2be.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3doz_3be.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dp0_2bc.sdf
173: ok 459 # molecular exact mass
173: ok 460 # molecular hydrogen-added formula
173: ok 461 # molecule + hydrogens weight
173: ok 462 # molecular exact mass after hydrogen addition
173: ok 463 # molecular formula
173: ok 464 # molecular weight
173: ok 465 # molecular exact mass
173: ok 466 # molecular hydrogen-added formula
173: ok 467 # molecule + hydrogens weight
173: ok 468 # molecular exact mass after hydrogen addition
173: ok 469 # molecular formula
173: ok 470 # molecular weight
173: ok 471 # molecular exact mass
173: ok 472 # molecular hydrogen-added formula
173: ok 473 # molecule + hydrogens weight
173: ok 474 # molecular exact mass after hydrogen addition
173: ok 475 # molecular formula
173: ok 476 # molecular weight
173: ok 477 # molecular exact mass
173: ok 478 # molecular hydrogen-added formula
173: ok 479 # molecule + hydrogens weight
173: ok 480 # molecular exact mass after hydrogen addition
173: ok 481 # molecular formula
173: ok 482 # molecular weight
173: ok 483 # molecular exact mass
173: ok 484 # molecular hydrogen-added formula
173: ok 485 # molecule + hydrogens weight
173: ok 486 # molecular exact mass after hydrogen addition
173: ok 487 # molecular formula
173: ok 488 # molecular weight
173: ok 489 # molecular exact mass
173: ok 490 # molecular hydrogen-added formula
173: ok 491 # molecule + hydrogens weight
173: ok 492 # molecular exact mass after hydrogen addition
173: ok 493 # molecular formula
173: ok 494 # molecular weight
173: ok 495 # molecular exact mass
173: ok 496 # molecular hydrogen-added formula
173: ok 497 # molecule + hydrogens weight
173: ok 498 # molecular exact mass after hydrogen addition
173: ok 499 # molecular formula
173: ok 500 # molecular weight
173: ok 501 # molecular exact mass
173: ok 502 # molecular hydrogen-added formula
173: ok 503 # molecule + hydrogens weight
173: ok 504 # molecular exact mass after hydrogen addition
173: ok 505 # molecular formula
173: ok 506 # molecular weight
173: ok 507 # molecular exact mass
173: ok 508 # molecular hydrogen-added formula
173: ok 509 # molecule + hydrogens weight
173: ok 510 # molecular exact mass after hydrogen addition
173: ok 511 # molecular formula
173: ok 512 # molecular weight
173: ok 513 # molecular exact mass
173: ok 514 # molecular hydrogen-added formula
173: ok 515 # molecule + hydrogens weight
173: ok 516 # molecular exact mass after hydrogen addition
173: ok 517 # molecular formula
173: ok 518 # molecular weight
173: ok 519 # molecular exact mass
173: ok 520 # molecular hydrogen-added formula
173: ok 521 # molecule + hydrogens weight
173: ok 522 # molecular exact mass after hydrogen addition
173: ok 523 # molecular formula
173: ok 524 # molecular weight
173: ok 525 # molecular exact mass
173: ok 526 # molecular hydrogen-added formula
173: ok 527 # molecule + hydrogens weight
173: ok 528 # molecular exact mass after hydrogen addition
173: ok 529 # molecular formula
173: ok 530 # molecular weight
173: ok 531 # molecular exact mass
173: ok 532 # molecular hydrogen-added formula
173: ok 533 # molecule + hydrogens weight
173: ok 534 # molecular exact mass after hydrogen addition
173: ok 535 # molecular formula
173: ok 536 # molecular weight
173: ok 537 # molecular exact mass
173: ok 538 # molecular hydrogen-added formula
173: ok 539 # molecule + hydrogens weight
173: ok 540 # molecular exact mass after hydrogen addition
173: ok 541 # molecular formula
173: ok 542 # molecular weight
173: ok 543 # molecular exact mass
173: ok 544 # molecular hydrogen-added formula
173: ok 545 # molecule + hydrogens weight
173: ok 546 # molecular exact mass after hydrogen addition
173: ok 547 # molecular formula
173: ok 548 # molecular weight
173: ok 549 # molecular exact mass
173: ok 550 # molecular hydrogen-added formula
173: ok 551 # molecule + hydrogens weight
173: ok 552 # molecular exact mass after hydrogen addition
173: ok 553 # molecular formula
173: ok 554 # molecular weight
173: ok 555 # molecular exact mass
173: ok 556 # molecular hydrogen-added formula
173: ok 557 # molecule + hydrogens weight
173: ok 558 # molecular exact mass after hydrogen addition
173: ok 559 # molecular formula
173: ok 560 # molecular weight
173: ok 561 # molecular exact mass
173: ok 562 # molecular hydrogen-added formula
173: ok 563 # molecule + hydrogens weight
173: ok 564 # molecular exact mass after hydrogen addition
173: ok 565 # molecular formula
173: ok 566 # molecular weight
173: ok 567 # molecular exact mass
173: ok 568 # molecular hydrogen-added formula
173: ok 569 # molecule + hydrogens weight
173: ok 570 # molecular exact mass after hydrogen addition
173: ok 571 # molecular formula
173: ok 572 # molecular weight
173: ok 573 # molecular exact mass
173: ok 574 # molecular hydrogen-added formula
173: ok 575 # molecule + hydrogens weight
173: ok 576 # molecular exact mass after hydrogen addition
173: ok 577 # molecular formula
173: ok 578 # molecular weight
173: ok 579 # molecular exact mass
173: ok 580 # molecular hydrogen-added formula
173: ok 581 # molecule + hydrogens weight
173: ok 582 # molecular exact mass after hydrogen addition
173: ok 583 # molecular formula
173: ok 584 # molecular weight
173: ok 585 # molecular exact mass
173: ok 586 # molecular hydrogen-added formula
173: ok 587 # molecule + hydrogens weight
173: ok 588 # molecular exact mass after hydrogen addition
173: ok 589 # molecular formula
173: ok 590 # molecular weight
173: ok 591 # molecular exact mass
173: ok 592 # molecular hydrogen-added formula
173: ok 593 # molecule + hydrogens weight
173: ok 594 # molecular exact mass after hydrogen addition
173: ok 595 # molecular formula
173: ok 596 # molecular weight
173: ok 597 # molecular exact mass
173: ok 598 # molecular hydrogen-added formula
173: ok 599 # molecule + hydrogens weight
173: ok 600 # molecular exact mass after hydrogen addition
173: ok 601 # molecular formula
173: ok 602 # molecular weight
173: ok 603 # molecular exact mass
173: ok 604 # molecular hydrogen-added formula
173: ok 605 # molecule + hydrogens weight
173: ok 606 # molecular exact mass after hydrogen addition
173: ok 607 # molecular formula
173: ok 608 # molecular weight
173: ok 609 # molecular exact mass
173: ok 610 # molecular hydrogen-added formula
173: ok 611 # molecule + hydrogens weight
173: ok 612 # molecular exact mass after hydrogen addition
173: ok 613 # molecular formula
173: ok 614 # molecular weight
173: ok 615 # molecular exact mass
173: ok 616 # molecular hydrogen-added formula
173: ok 617 # molecule + hydrogens weight
173: ok 618 # molecular exact mass after hydrogen addition
173: ok 619 # molecular formula
173: ok 620 # molecular weight
173: ok 621 # molecular exact mass
173: ok 622 # molecular hydrogen-added formula
173: ok 623 # molecule + hydrogens weight
173: ok 624 # molecular exact mass after hydrogen addition
173: ok 625 # molecular formula
173: ok 626 # molecular weight
173: ok 627 # molecular exact mass
173: ok 628 # molecular hydrogen-added formula
173: ok 629 # molecule + hydrogens weight
173: ok 630 # molecular exact mass after hydrogen addition
173: ok 631 # molecular formula
173: ok 632 # molecular weight
173: ok 633 # molecular exact mass
173: ok 634 # molecular hydrogen-added formula
173: ok 635 # molecule + hydrogens weight
173: ok 636 # molecular exact mass after hydrogen addition
173: ok 637 # molecular formula
173: ok 638 # molecular weight
173: ok 639 # molecular exact mass
173: ok 640 # molecular hydrogen-added formula
173: ok 641 # molecule + hydrogens weight
173: ok 642 # molecular exact mass after hydrogen addition
173: ok 643 # molecular formula
173: ok 644 # molecular weight
173: ok 645 # molecular exact mass
173: ok 646 # molecular hydrogen-added formula
173: ok 647 # molecule + hydrogens weight
173: ok 648 # molecular exact mass after hydrogen addition
173: ok 649 # molecular formula
173: ok 650 # molecular weight
173: ok 651 # molecular exact mass
173: ok 652 # molecular hydrogen-added formula
173: ok 653 # molecule + hydrogens weight
173: ok 654 # molecular exact mass after hydrogen addition
173: ok 655 # molecular formula
173: ok 656 # molecular weight
173: ok 657 # molecular exact mass
173: ok 658 # molecular hydrogen-added formula
173: ok 659 # molecule + hydrogens weight
173: ok 660 # molecular exact mass after hydrogen addition
173: ok 661 # molecular formula
173: ok 662 # molecular weight
173: ok 663 # molecular exact mass
173: ok 664 # molecular hydrogen-added formula
173: ok 665 # molecule + hydrogens weight
173: ok 666 # molecular exact mass after hydrogen addition
173: ok 667 # molecular formula
173: ok 668 # molecular weight
173: ok 669 # molecular exact mass
173: ok 670 # molecular hydrogen-added formula
173: ok 671 # molecule + hydrogens weight
173: ok 672 # molecular exact mass after hydrogen addition
173: ok 673 # molecular formula
173: ok 674 # molecular weight
173: ok 675 # molecular exact mass
173: ok 676 # molecular hydrogen-added formula
173: ok 677 # molecule + hydrogens weight
173: ok 678 # molecular exact mass after hydrogen addition
173: ok 679 # molecular formula
173: ok 680 # molecular weight
173: ok 681 # molecular exact mass
173: ok 682 # molecular hydrogen-added formula
173: ok 683 # molecule + hydrogens weight
173: ok 684 # molecular exact mass after hydrogen addition
173: ok 685 # molecular formula
173: ok 686 # molecular weight
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 57       ( 47.292,  52.205, -38.554)  ( 47.297,  52.209, -38.549)  ( 0.01,  0.01,  0.01)
168:     bond    ( 26.876,  35.751, -12.136)  ( 26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
168:     angle   (  0.078,  -0.014,  -0.007)  (  0.079,  -0.013,  -0.006)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( 17.157,  20.000, -12.414)  ( 17.159,  20.000, -12.413)  ( 0.01,  0.00,  0.01)
168:     torsion (  0.014,   0.019,   0.017)  (  0.014,   0.019,   0.017)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.002,   0.006,   0.005)  (  0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.164,  -3.556, -14.019)  (  3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 58       (  3.504, -53.454,  17.121)  (  3.509, -53.448,  17.126)  ( 0.15,  0.01,  0.02)
168:     bond    (-12.452, -26.537,  26.356)  (-12.448, -26.533,  26.357)  ( 0.04,  0.01,  0.01)
168:     angle   ( -9.977,   5.381,  -2.072)  ( -9.975,   5.383,  -2.071)  ( 0.02,  0.04,  0.05)
168:     strbnd  ( 29.601, -21.772,  10.437)  ( 29.601, -21.772,  10.438)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.442,  -1.853,  -6.723)  (  1.442,  -1.853,  -6.722)  ( 0.02,  0.02,  0.01)
168:     oop     (  0.004,  -0.006,  -0.012)  (  0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.113,  -8.667, -10.865)  ( -5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 59       ( 57.517, -33.972,  18.680)  ( 57.526, -33.965,  18.684)  ( 0.02,  0.02,  0.02)
168:     bond    ( 43.256,  -7.494,  14.575)  ( 43.260,  -7.491,  14.577)  ( 0.01,  0.04,  0.01)
168:     angle   ( -5.272,   6.049,  -3.749)  ( -5.270,   6.051,  -3.748)  ( 0.03,  0.03,  0.03)
168:     strbnd  ( 14.441, -25.674,  15.790)  ( 14.443, -25.673,  15.791)  ( 0.01,  0.00,  0.00)
168:     torsion ( -0.018,   1.819,   2.940)  ( -0.018,   1.820,   2.940)  ( 0.00,  0.02,  0.02)
168:     oop     ( -0.004,  -0.006,  -0.012)  ( -0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     (  5.113,  -8.667, -10.865)  (  5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 60       (-52.445, -20.208,   0.196)  (-52.439, -20.201,   0.199)  ( 0.01,  0.04,  0.06)
168:     bond    (-30.817, -15.091,  19.379)  (-30.813, -15.086,  19.380)  ( 0.01,  0.03,  0.00)
168:     angle   (  5.186,  -6.105,   3.821)  (  5.188,  -6.103,   3.822)  ( 0.04,  0.03,  0.02)
168:     strbnd  (-26.815,  14.635, -11.154)  (-26.815,  14.635, -11.154)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.000,  -1.831,  -2.952)  (  0.001,  -1.831,  -2.951)  ( 0.00,  0.01,  0.02)
168:     oop     ( -0.000,   0.005,   0.010)  (  0.000,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.000, -11.821,  -8.908)  ( -0.000, -11.821,  -8.908)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: ok 18 # gradients 
168: ok 19 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dp1_2rb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dp2_4be.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dp3_4bb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dp8_hct.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dpd_41a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dpf_axb.sdf
168:  1       ( 45.804,   8.666,   0.052)  ( 45.812,   8.674,   0.106)  ( 0.02,  0.10,  0.28)
168:     bond    ( 30.636,  -6.297,   0.167)  ( 30.642,  -6.289,   0.167)  ( 0.02,  0.13,  0.00)
168:     angle   ( 32.862,  34.136,   0.480)  ( 32.865,  34.139,   0.480)  ( 0.01,  0.01,  0.00)
168:     strbnd  (-13.324,  -8.673,  -0.104)  (-13.325,  -8.674,  -0.104)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.006,   0.007,  -0.513)  (  0.006,   0.007,  -0.512)  ( 0.00,  0.00,  0.06)
168:     oop     (  0.002,   0.002,  -0.095)  (  0.001,   0.002,  -0.042)  ( 0.00,  0.00,  0.50)
168:     vdw     ( -4.980, -11.257,   0.121)  ( -4.980, -11.256,   0.121)  ( 0.00,  0.00,  0.00)
168:     electro (  0.603,   0.747,  -0.004)  (  0.603,   0.747,  -0.004)  ( 0.00,  0.00,  0.00)
168:  2       (-58.580, -33.101,  -2.074)  (-58.570, -33.093,  -1.963)  ( 0.02,  0.02,  5.36)
168:     bond    (-30.553,  -9.880,   0.169)  (-30.547,  -9.873,   0.169)  ( 0.02,  0.07,  0.00)
168:     angle   (-46.521, -10.271,   0.396)  (-46.518, -10.269,   0.396)  ( 0.01,  0.02,  0.00)
168:     strbnd  ( 17.496,  -2.306,  -0.133)  ( 17.495,  -2.306,  -0.133)  ( 0.00,  0.03,  0.00)
168:     torsion ( -0.025,   0.014,  -1.717)  ( -0.025,   0.014,  -1.715)  ( 0.00,  0.00,  0.08)
168:     oop     ( -0.004,   0.004,  -0.489)  ( -0.003,   0.003,  -0.380)  ( 0.00,  0.00,  5.38)
168:     vdw     (  1.588, -12.705,  -0.305)  (  1.588, -12.704,  -0.305)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.561,   2.042,   0.005)  ( -0.561,   2.042,   0.005)  ( 0.00,  0.00,  0.00)
168:  3       ( 29.955, -13.583,   1.499)  ( 29.962, -13.574,   1.374)  ( 0.02,  0.06,  8.32)
168:     bond    ( 39.764,   9.492,  -0.196)  ( 39.769,   9.499,  -0.196)  ( 0.01,  0.07,  0.00)
168:     angle   ( -9.543, -33.981,   0.308)  ( -9.540, -33.979,   0.308)  ( 0.03,  0.01,  0.01)
168:     strbnd  ( -7.639,   9.515,  -0.055)  ( -7.639,   9.513,  -0.055)  ( 0.00,  0.01,  0.00)
168:     torsion (  0.011,   0.725,   0.814)  (  0.011,   0.725,   0.815)  ( 0.00,  0.00,  0.09)
168:     oop     (  0.005,   0.000,   0.631)  (  0.004,   0.000,   0.505)  ( 0.00,  0.00,  7.96)
168:     vdw     (  9.366,   0.886,   0.003)  (  9.367,   0.886,   0.003)  ( 0.00,  0.00,  0.00)
168:     electro ( -2.008,  -0.220,  -0.006)  ( -2.008,  -0.220,  -0.006)  ( 0.00,  0.00,  0.00)
168:  4       (  5.799,   3.052,  -0.989)  (  5.809,   3.064,  -0.869)  ( 0.17,  0.41, 11.90)
168:     bond    (-10.729, -14.628,   0.267)  (-10.721, -14.617,   0.267)  ( 0.08,  0.07,  0.01)
168:     angle   ( 32.474,  51.618,  -0.713)  ( 32.476,  51.622,  -0.713)  ( 0.01,  0.01,  0.01)
168:     strbnd  (-21.280, -41.834,   0.455)  (-21.281, -41.837,   0.455)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.002,  -0.000,   0.339)  ( -0.002,  -0.000,   0.341)  ( 0.00,  0.00,  0.04)
168:     oop     ( -0.004,  -0.005,  -0.706)  ( -0.003,  -0.004,  -0.587)  ( 0.00,  0.00,  8.43)
168:     vdw     (  7.224,  10.517,  -0.632)  (  7.224,  10.517,  -0.632)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.885,  -2.616,  -0.000)  ( -1.885,  -2.616,  -0.000)  ( 0.00,  0.00,  0.00)
168:  5       ( 35.971,  57.674,  -1.797)  ( 35.974,  57.682,  -1.824)  ( 0.01,  0.01,  1.53)
168:     bond    ( 14.954,  25.801,  -0.346)  ( 14.956,  25.809,  -0.346)  ( 0.02,  0.03,  0.00)
168:     angle   ( -0.954,   0.553,   0.090)  ( -0.953,   0.554,   0.090)  ( 0.07,  0.01,  0.00)
168:     strbnd  ( 15.993,  27.797,  -0.361)  ( 15.993,  27.797,  -0.362)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.001,   0.000,   0.051)  (  0.001,   0.000,   0.051)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.001,   0.002,   0.182)  (  0.001,   0.001,   0.155)  ( 0.00,  0.00,  0.50)
168:     vdw     (  7.016,   4.718,  -1.422)  (  7.016,   4.718,  -1.422)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.039,  -1.196,   0.010)  ( -1.039,  -1.196,   0.010)  ( 0.00,  0.00,  0.00)
168:  6       ( -1.213,  11.041,   0.106)  ( -1.205,  11.049,  -0.021)  ( 0.68,  0.07,  1.35)
168:     bond    (-14.177,  30.083,  -0.172)  (-14.170,  30.088,  -0.172)  ( 0.05,  0.02,  0.00)
168:     angle   (  8.442, -39.763,   0.869)  (  8.444, -39.760,   0.869)  ( 0.03,  0.01,  0.03)
168:     strbnd  ( 11.495,   9.907,  -0.096)  ( 11.495,   9.907,  -0.096)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.428,  -0.249,  -1.278)  ( -0.428,  -0.249,  -1.277)  ( 0.00,  0.00,  0.07)
168:     oop     ( -0.000,   0.003,   0.773)  ( -0.000,   0.003,   0.645)  ( 0.00,  0.00,  9.94)
168:     vdw     ( -6.893,  11.755,   0.015)  ( -6.893,  11.755,   0.015)  ( 0.00,  0.00,  0.00)
168:     electro (  0.348,  -0.695,  -0.005)  (  0.348,  -0.695,  -0.005)  ( 0.00,  0.00,  0.00)
168:  7       (-20.145,  -5.329,  -0.891)  (-20.132,  -5.320,  -0.769)  ( 0.07,  0.16, 10.85)
168:     bond    ( 14.169,   8.086,   0.243)  ( 14.182,   8.092,   0.243)  ( 0.09,  0.08,  0.01)
168:     angle   (-42.998, -14.458,  -0.436)  (-42.996, -14.456,  -0.436)  ( 0.01,  0.02,  0.01)
168:     strbnd  ( 11.153,   0.471,   0.082)  ( 11.151,   0.470,   0.082)  ( 0.01,  0.04,  0.00)
168:     torsion ( -0.004,  -0.002,   0.375)  ( -0.004,  -0.002,   0.376)  ( 0.00,  0.00,  0.03)
168:     oop     (  0.003,  -0.000,  -0.845)  (  0.003,  -0.000,  -0.724)  ( 0.00,  0.00, 10.22)
168:     vdw     ( -7.050,  -0.891,  -0.311)  ( -7.050,  -0.891,  -0.311)  ( 0.00,  0.01,  0.00)
168:     electro (  4.583,   1.466,   0.001)  (  4.583,   1.466,   0.001)  ( 0.00,  0.00,  0.00)
168:  8       (-52.573,  -1.900,  -0.457)  (-52.562,  -1.899,  -0.525)  ( 0.02,  0.06,  3.09)
168:     bond    (-33.079,   0.439,  -0.219)  (-33.068,   0.439,  -0.220)  ( 0.03,  0.01,  0.00)
168:     angle   (  0.010,   0.811,   0.102)  (  0.010,   0.812,   0.102)  ( 0.00,  0.09,  0.00)
168:     strbnd  (-14.392,  -0.434,  -0.079)  (-14.392,  -0.434,  -0.079)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.001,  -0.000,  -0.096)  (  0.001,  -0.000,  -0.096)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.002,  -0.000,   0.361)  ( -0.002,  -0.000,   0.293)  ( 0.00,  0.00,  2.44)
168:     vdw     ( -5.725,  -2.617,  -0.509)  ( -5.725,  -2.617,  -0.509)  ( 0.00,  0.01,  0.00)
168:     electro (  0.615,  -0.099,  -0.017)  (  0.615,  -0.099,  -0.017)  ( 0.00,  0.00,  0.00)
168:  9       (-31.749, -12.688,  -0.521)  (-31.740, -12.679,  -0.557)  ( 0.03,  0.06,  1.90)
168:     bond    (-31.682, -14.421,  -0.455)  (-31.675, -14.415,  -0.455)  ( 0.02,  0.04,  0.00)
168:     angle   (  5.174,   7.290,   0.065)  (  5.177,   7.293,   0.066)  ( 0.05,  0.03,  0.00)
168:     strbnd  ( -6.582,  -2.350,  -0.240)  ( -6.583,  -2.351,  -0.240)  ( 0.02,  0.05,  0.00)
168:     torsion (  0.000,   0.005,  -0.080)  (  0.000,   0.005,  -0.079)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.001,  -0.003,   0.207)  ( -0.000,  -0.002,   0.169)  ( 0.00,  0.00,  0.78)
168:     vdw     (  1.438,  -3.381,  -0.019)  (  1.438,  -3.381,  -0.019)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.095,   0.172,   0.001)  ( -0.095,   0.172,   0.001)  ( 0.00,  0.00,  0.00)
168: 10       (-10.933, -27.650,  -0.039)  (-10.928, -27.644,  -0.102)  ( 0.04,  0.02,  0.25)
168:     bond    (-32.483, -35.767,  -0.526)  (-32.480, -35.763,  -0.526)  ( 0.01,  0.01,  0.01)
168:     angle   ( 26.625,   6.434,  -0.197)  ( 26.627,   6.434,  -0.197)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -1.629,   3.816,   0.065)  ( -1.629,   3.816,   0.065)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.008,  -0.005,   0.486)  (  0.008,  -0.005,   0.486)  ( 0.00,  0.00,  0.02)
168:     oop     (  0.002,  -0.005,   0.355)  (  0.001,  -0.005,   0.291)  ( 0.00,  0.00,  2.26)
168:     vdw     ( -3.198,  -3.532,  -0.228)  ( -3.198,  -3.531,  -0.228)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.259,   1.410,   0.007)  ( -0.259,   1.410,   0.007)  ( 0.00,  0.00,  0.00)
168: 11       ( 35.883,   8.664,  -0.338)  ( 35.889,   8.671,  -0.245)  ( 0.02,  0.08,  3.13)
168:     bond    ( 44.495,  11.383,   0.093)  ( 44.502,  11.390,   0.093)  ( 0.01,  0.06,  0.00)
168:     angle   ( -0.477,  -4.825,  -0.116)  ( -0.475,  -4.823,  -0.116)  ( 0.09,  0.05,  0.00)
168:     strbnd  (-12.211,   2.309,   0.059)  (-12.213,   2.308,   0.059)  ( 0.02,  0.02,  0.00)
168:     torsion ( -0.001,  -0.001,   0.053)  ( -0.001,  -0.001,   0.054)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,   0.010,  -0.488)  ( -0.000,   0.008,  -0.397)  ( 0.00,  0.00,  4.49)
168:     vdw     (  4.096,  -0.193,   0.062)  (  4.096,  -0.193,   0.062)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.018,  -0.019,  -0.000)  ( -0.018,  -0.019,  -0.000)  ( 0.00,  0.00,  0.00)
168: 12       ( 17.293,   2.712,   1.183)  ( 17.298,   2.719,   1.174)  ( 0.03,  0.24,  0.78)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dpk_8c5.sdf
173: ok 687 # molecular exact mass
173: ok 688 # molecular hydrogen-added formula
173: ok 689 # molecule + hydrogens weight
173: ok 690 # molecular exact mass after hydrogen addition
173: ok 691 # molecular formula
173: ok 692 # molecular weight
173: ok 693 # molecular exact mass
173: ok 694 # molecular hydrogen-added formula
173: ok 695 # molecule + hydrogens weight
173: ok 696 # molecular exact mass after hydrogen addition
173: ok 697 # molecular formula
173: ok 698 # molecular weight
173: ok 699 # molecular exact mass
173: ok 700 # molecular hydrogen-added formula
173: ok 701 # molecule + hydrogens weight
173: ok 702 # molecular exact mass after hydrogen addition
173: ok 703 # molecular formula
173: ok 704 # molecular weight
173: ok 705 # molecular exact mass
173: ok 706 # molecular hydrogen-added formula
173: ok 707 # molecule + hydrogens weight
173: ok 708 # molecular exact mass after hydrogen addition
173: ok 709 # molecular formula
173: ok 710 # molecular weight
173: ok 711 # molecular exact mass
173: ok 712 # molecular hydrogen-added formula
173: ok 713 # molecule + hydrogens weight
173: ok 714 # molecular exact mass after hydrogen addition
173: ok 715 # molecular formula
173: ok 716 # molecular weight
173: ok 717 # molecular exact mass
173: ok 718 # molecular hydrogen-added formula
173: ok 719 # molecule + hydrogens weight
173: ok 720 # molecular exact mass after hydrogen addition
173: ok 721 # molecular formula
173: ok 722 # molecular weight
173: ok 723 # molecular exact mass
173: ok 724 # molecular hydrogen-added formula
173: ok 725 # molecule + hydrogens weight
173: ok 726 # molecular exact mass after hydrogen addition
173: ok 727 # molecular formula
173: ok 728 # molecular weight
173: ok 729 # molecular exact mass
173: ok 730 # molecular hydrogen-added formula
173: ok 731 # molecule + hydrogens weight
173: ok 732 # molecular exact mass after hydrogen addition
173: ok 733 # molecular formula
173: ok 734 # molecular weight
173: ok 735 # molecular exact mass
173: ok 736 # molecular hydrogen-added formula
173: ok 737 # molecule + hydrogens weight
173: ok 738 # molecular exact mass after hydrogen addition
173: ok 739 # molecular formula
173: ok 740 # molecular weight
173: ok 741 # molecular exact mass
173: ok 742 # molecular hydrogen-added formula
173: ok 743 # molecule + hydrogens weight
173: ok 744 # molecular exact mass after hydrogen addition
173: ok 745 # molecular formula
173: ok 746 # molecular weight
173: ok 747 # molecular exact mass
173: ok 748 # molecular hydrogen-added formula
173: ok 749 # molecule + hydrogens weight
173: ok 750 # molecular exact mass after hydrogen addition
173: ok 751 # molecular formula
173: ok 752 # molecular weight
173: ok 753 # molecular exact mass
173: ok 754 # molecular hydrogen-added formula
173: ok 755 # molecule + hydrogens weight
173: ok 756 # molecular exact mass after hydrogen addition
173: ok 757 # molecular formula
173: ok 758 # molecular weight
173: ok 759 # molecular exact mass
173: ok 760 # molecular hydrogen-added formula
173: ok 761 # molecule + hydrogens weight
173: ok 762 # molecular exact mass after hydrogen addition
173: ok 763 # molecular formula
173: ok 764 # molecular weight
173: ok 765 # molecular exact mass
173: ok 766 # molecular hydrogen-added formula
173: ok 767 # molecule + hydrogens weight
173: ok 768 # molecular exact mass after hydrogen addition
173: ok 769 # molecular formula
173: ok 770 # molecular weight
173: ok 771 # molecular exact mass
173: ok 772 # molecular hydrogen-added formula
173: ok 773 # molecule + hydrogens weight
173: ok 774 # molecular exact mass after hydrogen addition
173: ok 775 # molecular formula
173: ok 776 # molecular weight
173: ok 777 # molecular exact mass
173: ok 778 # molecular hydrogen-added formula
173: ok 779 # molecule + hydrogens weight
173: ok 780 # molecular exact mass after hydrogen addition
173: ok 781 # molecular formula
173: ok 782 # molecular weight
173: ok 783 # molecular exact mass
173: ok 784 # molecular hydrogen-added formula
173: ok 785 # molecule + hydrogens weight
173: ok 786 # molecular exact mass after hydrogen addition
173: ok 787 # molecular formula
173: ok 788 # molecular weight
173: ok 789 # molecular exact mass
173: ok 790 # molecular hydrogen-added formula
173: ok 791 # molecule + hydrogens weight
173: ok 792 # molecular exact mass after hydrogen addition
173: ok 793 # molecular formula
173: ok 794 # molecular weight
173: ok 795 # molecular exact mass
173: ok 796 # molecular hydrogen-added formula
173: ok 797 # molecule + hydrogens weight
173: ok 798 # molecular exact mass after hydrogen addition
173: ok 799 # molecular formula
173: ok 800 # molecular weight
173: ok 801 # molecular exact mass
173: ok 802 # molecular hydrogen-added formula
173: ok 803 # molecule + hydrogens weight
173: ok 804 # molecular exact mass after hydrogen addition
173: ok 805 # molecular formula
173: ok 806 # molecular weight
173: ok 807 # molecular exact mass
173: ok 808 # molecular hydrogen-added formula
173: ok 809 # molecule + hydrogens weight
173: ok 810 # molecular exact mass after hydrogen addition
173: ok 811 # molecular formula
173: ok 812 # molecular weight
173: ok 813 # molecular exact mass
173: ok 814 # molecular hydrogen-added formula
173: ok 815 # molecule + hydrogens weight
173: ok 816 # molecular exact mass after hydrogen addition
173: ok 817 # molecular formula
173: ok 818 # molecular weight
173: ok 819 # molecular exact mass
173: ok 820 # molecular hydrogen-added formula
173: ok 821 # molecule + hydrogens weight
173: ok 822 # molecular exact mass after hydrogen addition
173: ok 823 # molecular formula
173: ok 824 # molecular weight
173: ok 825 # molecular exact mass
173: ok 826 # molecular hydrogen-added formula
173: ok 827 # molecule + hydrogens weight
173: ok 828 # molecular exact mass after hydrogen addition
173: ok 829 # molecular formula
173: ok 830 # molecular weight
173: ok 831 # molecular exact mass
173: ok 832 # molecular hydrogen-added formula
173: ok 833 # molecule + hydrogens weight
173: ok 834 # molecular exact mass after hydrogen addition
173: ok 835 # molecular formula
173: ok 836 # molecular weight
173: ok 837 # molecular exact mass
173: ok 838 # molecular hydrogen-added formula
173: ok 839 # molecule + hydrogens weight
173: ok 840 # molecular exact mass after hydrogen addition
173: ok 841 # molecular formula
173: ok 842 # molecular weight
173: ok 843 # molecular exact mass
173: ok 844 # molecular hydrogen-added formula
173: ok 845 # molecule + hydrogens weight
173: ok 846 # molecular exact mass after hydrogen addition
173: ok 847 # molecular formula
173: ok 848 # molecular weight
173: ok 849 # molecular exact mass
173: ok 850 # molecular hydrogen-added formula
173: ok 851 # molecule + hydrogens weight
173: ok 852 # molecular exact mass after hydrogen addition
173: ok 853 # molecular formula
173: ok 854 # molecular weight
173: ok 855 # molecular exact mass
173: ok 856 # molecular hydrogen-added formula
173: ok 857 # molecule + hydrogens weight
173: ok 858 # molecular exact mass after hydrogen addition
173: ok 859 # molecular formula
173: ok 860 # molecular weight
173: ok 861 # molecular exact mass
173: ok 862 # molecular hydrogen-added formula
173: ok 863 # molecule + hydrogens weight
173: ok 864 # molecular exact mass after hydrogen addition
173: ok 865 # molecular formula
173: ok 866 # molecular weight
173: ok 867 # molecular exact mass
173: ok 868 # molecular hydrogen-added formula
173: ok 869 # molecule + hydrogens weight
173: ok 870 # molecular exact mass after hydrogen addition
173: ok 871 # molecular formula
173: ok 872 # molecular weight
173: ok 873 # molecular exact mass
173: ok 874 # molecular hydrogen-added formula
173: ok 875 # molecule + hydrogens weight
173: ok 876 # molecular exact mass after hydrogen addition
173: ok 877 # molecular formula
173: ok 878 # molecular weight
173: ok 879 # molecular exact mass
173: ok 880 # molecular hydrogen-added formula
173: ok 881 # molecule + hydrogens weight
173: ok 882 # molecular exact mass after hydrogen addition
173: ok 883 # molecular formula
173: ok 884 # molecular weight
173: ok 885 # molecular exact mass
173: ok 886 # molecular hydrogen-added formula
173: ok 887 # molecule + hydrogens weight
173: ok 888 # molecular exact mass after hydrogen addition
173: ok 889 # molecular formula
173: ok 890 # molecular weight
173: ok 891 # molecular exact mass
173: ok 892 # molecular hydrogen-added formula
173: ok 893 # molecule + hydrogens weight
173: ok 894 # molecular exact mass after hydrogen addition
173: ok 895 # molecular formula
173: ok 896 # molecular weight
173: ok 897 # molecular exact mass
173: ok 898 # molecular hydrogen-added formula
173: ok 899 # molecule + hydrogens weight
173: ok 900 # molecular exact mass after hydrogen addition
173: ok 901 # molecular formula
173: ok 902 # molecular weight
173: ok 903 # molecular exact mass
173: ok 904 # molecular hydrogen-added formula
173: ok 905 # molecule + hydrogens weight
173: ok 906 # molecular exact mass after hydrogen addition
173: ok 907 # molecular formula
173: ok 908 # molecular weight
173: ok 909 # molecular exact mass
173: ok 910 # molecular hydrogen-added formula
173: ok 911 # molecule + hydrogens weight
173: ok 912 # molecular exact mass after hydrogen addition
173: ok 913 # molecular formula
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dr1_c5d.sdf
166:     angle   (-36.863, -14.117, -12.692)  (-36.861, -14.115, -12.691)  ( 0.01,  0.01,  0.00)
166:     strbnd  (  7.549,   3.290,   2.655)  (  7.548,   3.290,   2.655)  ( 0.01,  0.03,  0.01)
166:     torsion (  0.142,  -0.020,  -0.374)  (  0.142,  -0.020,  -0.373)  ( 0.00,  0.00,  0.04)
166:     oop     (  0.061,  -0.009,  -0.157)  (  0.042,  -0.006,  -0.109)  ( 0.11,  0.00,  0.76)
166:     vdw     (  4.758,   7.545,   1.424)  (  4.758,   7.546,   1.424)  ( 0.00,  0.00,  0.00)
166:     electro ( -3.179,  -3.546,  -0.964)  ( -3.179,  -3.546,  -0.964)  ( 0.00,  0.00,  0.00)
166: 24       (-10.644,  46.320,  -7.304)  (-10.601,  46.321,  -7.383)  ( 0.41,  0.00,  1.07)
166:     bond    ( -7.128,  36.476,  -5.032)  ( -7.118,  36.481,  -5.030)  ( 0.14,  0.02,  0.03)
166:     angle   (  3.045,   5.260,   0.441)  (  3.047,   5.262,   0.441)  ( 0.07,  0.05,  0.02)
166:     strbnd  (  3.284,   4.936,   0.917)  (  3.283,   4.934,   0.917)  ( 0.03,  0.02,  0.03)
166:     torsion ( -0.033,  -0.002,   0.110)  ( -0.033,  -0.002,   0.110)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.164,   0.025,   0.425)  ( -0.132,   0.020,   0.344)  ( 0.53,  0.01,  3.44)
166:     vdw     (  3.476,  -4.869,   1.621)  (  3.476,  -4.869,   1.621)  ( 0.00,  0.00,  0.00)
166:     electro (-13.123,   4.494,  -5.786)  (-13.123,   4.494,  -5.786)  ( 0.00,  0.00,  0.00)
166: 25       (  2.890, -52.759,   7.938)  (  2.866, -52.746,   8.021)  ( 0.81,  0.03,  1.05)
166:     bond    (  8.283,   2.133,   2.726)  (  8.290,   2.140,   2.727)  ( 0.08,  0.31,  0.03)
166:     angle   ( -6.422, -45.385,   1.001)  ( -6.420, -45.383,   1.001)  ( 0.02,  0.01,  0.03)
166:     strbnd  (-10.186,  -7.939,  -3.501)  (-10.187,  -7.938,  -3.501)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.692,  -0.055,  -1.836)  (  0.692,  -0.055,  -1.835)  ( 0.01,  0.00,  0.06)
166:     oop     (  0.204,  -0.021,  -0.530)  (  0.173,  -0.017,  -0.449)  ( 0.63,  0.01,  4.31)
166:     vdw     (  8.959,  -7.735,   8.017)  (  8.959,  -7.735,   8.017)  ( 0.00,  0.01,  0.00)
166:     electro (  1.360,   6.242,   2.061)  (  1.360,   6.242,   2.061)  ( 0.00,  0.00,  0.00)
166: 26       (-24.717, -18.946,  -4.036)  (-24.728, -18.935,  -3.986)  ( 0.04,  0.06,  1.24)
166:     bond    (-24.696,   9.518, -10.388)  (-24.690,   9.523, -10.387)  ( 0.03,  0.05,  0.01)
166:     angle   ( -7.991, -22.014,  -4.231)  ( -7.989, -22.012,  -4.230)  ( 0.02,  0.01,  0.01)
166:     strbnd  (  7.348,  -6.906,   2.805)  (  7.348,  -6.906,   2.805)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.081,  -0.067,  -0.270)  (  0.081,  -0.067,  -0.270)  ( 0.00,  0.00,  0.02)
166:     oop     (  0.110,  -0.023,  -0.279)  (  0.091,  -0.019,  -0.231)  ( 0.20,  0.01,  1.33)
166:     vdw     (  0.759,  -0.386,   8.493)  (  0.759,  -0.386,   8.493)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.328,   0.932,  -0.167)  ( -0.328,   0.932,  -0.167)  ( 0.00,  0.00,  0.00)
166: 27       ( 43.032,  25.104,  14.730)  ( 43.049,  25.107,  14.703)  ( 0.04,  0.01,  0.19)
166:     bond    ( 18.803,  -4.833,   7.511)  ( 18.809,  -4.830,   7.512)  ( 0.03,  0.06,  0.01)
166:     angle   ( 18.124,  40.689,   3.688)  ( 18.124,  40.692,   3.688)  ( 0.00,  0.01,  0.00)
166:     strbnd  (  3.463, -10.759,   2.073)  (  3.463, -10.760,   2.073)  ( 0.01,  0.01,  0.00)
166:     torsion (  0.026,  -0.003,  -0.071)  (  0.026,  -0.003,  -0.071)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.076,   0.016,   0.200)  ( -0.065,   0.014,   0.171)  ( 0.09,  0.00,  0.58)
166:     vdw     (  0.932,  -1.439,   0.904)  (  0.932,  -1.439,   0.904)  ( 0.01,  0.00,  0.00)
166:     electro (  1.760,   1.432,   0.427)  (  1.760,   1.432,   0.427)  ( 0.00,  0.00,  0.00)
166: 28       ( 11.894, -38.621,   7.172)  ( 11.897, -38.613,   7.186)  ( 0.02,  0.02,  0.20)
166:     bond    ( 10.457,  12.301,   2.949)  ( 10.462,  12.307,   2.950)  ( 0.05,  0.05,  0.03)
166:     angle   ( -9.168, -55.992,   0.592)  ( -9.166, -55.990,   0.592)  ( 0.03,  0.00,  0.03)
166:     strbnd  ( 10.254,   8.892,   3.121)  ( 10.253,   8.891,   3.121)  ( 0.01,  0.01,  0.00)
166:     torsion ( -0.078,   0.016,   0.208)  ( -0.078,   0.016,   0.209)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.033,  -0.007,  -0.088)  (  0.029,  -0.006,  -0.076)  ( 0.02,  0.00,  0.11)
166:     vdw     (  0.152,   1.397,  -0.108)  (  0.152,   1.397,  -0.108)  ( 0.00,  0.00,  0.00)
166:     electro (  0.245,  -5.228,   0.497)  (  0.245,  -5.228,   0.497)  ( 0.00,  0.00,  0.00)
166: 29       ( 12.410,   3.420,   4.766)  ( 12.399,   3.425,   4.814)  ( 0.09,  0.14,  1.01)
166:     bond    (  4.738,  -2.006,   1.986)  (  4.745,  -2.005,   1.987)  ( 0.15,  0.06,  0.06)
166:     angle   (  4.344,  11.246,   0.976)  (  4.344,  11.247,   0.976)  ( 0.00,  0.01,  0.00)
166:     strbnd  (  8.204,  -1.157,   3.293)  (  8.204,  -1.157,   3.293)  ( 0.00,  0.02,  0.00)
166:     torsion ( -0.049,   0.009,   0.126)  ( -0.049,   0.009,   0.127)  ( 0.00,  0.00,  0.00)
166:     oop     (  0.076,  -0.012,  -0.195)  (  0.058,  -0.009,  -0.148)  ( 0.14,  0.00,  0.91)
166:     vdw     ( -0.237,  -3.506,   0.148)  ( -0.237,  -3.506,   0.148)  ( 0.00,  0.00,  0.00)
166:     electro ( -4.665,  -1.154,  -1.568)  ( -4.665,  -1.154,  -1.568)  ( 0.00,  0.00,  0.00)
166: 30       ( -0.901,  29.900,  -2.380)  ( -0.892,  29.905,  -2.388)  ( 0.85,  0.02,  0.32)
166:     bond    ( -4.277,   0.277,  -1.598)  ( -4.272,   0.282,  -1.594)  ( 0.12,  0.12,  0.27)
166:     angle   ( 12.189,  27.647,   2.441)  ( 12.190,  27.649,   2.443)  ( 0.02,  0.01,  0.06)
166:     strbnd  (-12.899,  -0.004,  -4.802)  (-12.901,  -0.005,  -4.803)  ( 0.02,  0.00,  0.01)
166:     torsion ( -0.029,  -0.010,   0.078)  ( -0.029,  -0.010,   0.078)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.021,   0.004,   0.055)  ( -0.016,   0.003,   0.042)  ( 0.01,  0.00,  0.07)
166:     vdw     (  2.572,   3.686,   0.693)  (  2.572,   3.686,   0.693)  ( 0.00,  0.00,  0.00)
166:     electro (  1.563,  -1.700,   0.754)  (  1.563,  -1.700,   0.754)  ( 0.00,  0.00,  0.00)
166: 31       ( -2.541,  -1.390,   5.410)  ( -2.521,  -1.388,   5.379)  ( 0.76,  0.19,  0.57)
166:     bond    (  2.316,  -1.013,   0.462)  (  2.320,  -1.009,   0.466)  ( 0.17,  0.39,  0.18)
166:     angle   ( -1.033,  -3.283,   3.719)  ( -1.030,  -3.281,   3.721)  ( 0.20,  0.06,  0.05)
166:     strbnd  ( -1.912,   0.920,  -0.790)  ( -1.913,   0.919,  -0.791)  ( 0.04,  0.06,  0.08)
166:     torsion ( -0.089,   0.197,   0.525)  ( -0.089,   0.197,   0.525)  ( 0.00,  0.00,  0.01)
166:     oop     ( -0.059,   0.012,   0.150)  ( -0.045,   0.010,   0.114)  ( 0.08,  0.00,  0.53)
166:     vdw     ( -0.575,   2.524,   1.662)  ( -0.575,   2.524,   1.662)  ( 0.00,  0.00,  0.00)
166:     electro ( -1.188,  -0.749,  -0.319)  ( -1.188,  -0.749,  -0.319)  ( 0.00,  0.00,  0.00)
166: 32       ( -0.533,   9.885,  -5.279)  ( -0.528,   9.891,  -5.275)  ( 0.30,  0.05,  0.09)
166:     bond    ( -0.397,   0.967,   0.156)  ( -0.393,   0.971,   0.160)  ( 0.16,  0.37,  0.06)
166:     angle   (  1.310,   8.321,  -3.491)  (  1.312,   8.323,  -3.489)  ( 0.14,  0.02,  0.06)
166:     strbnd  (  0.932,  -1.664,  -0.673)  (  0.932,  -1.665,  -0.674)  ( 0.03,  0.04,  0.07)
166:     torsion ( -1.283,   1.507,   0.186)  ( -1.282,   1.508,   0.186)  ( 0.01,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.096,   0.754,  -1.457)  ( -1.096,   0.754,  -1.457)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 33       ( -0.762,  -6.186,  -6.819)  ( -0.756,  -6.181,  -6.814)  ( 0.42,  0.08,  0.08)
166:     bond    ( -0.257,   0.740,  -0.064)  ( -0.253,   0.744,  -0.060)  ( 0.11,  0.30,  0.03)
166:     angle   ( -0.057,  -7.999,  -0.743)  ( -0.055,  -7.998,  -0.742)  ( 0.01,  0.02,  0.13)
166:     strbnd  ( -0.135,   0.372,   0.957)  ( -0.135,   0.371,   0.957)  ( 0.01,  0.03,  0.07)
166:     torsion (  0.594,   0.454,  -0.563)  (  0.594,   0.454,  -0.563)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.907,   0.247,  -6.406)  ( -0.907,   0.247,  -6.406)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 34       (  3.845, -11.220,   1.372)  (  3.846, -11.218,   1.373)  ( 0.03,  0.02,  0.05)
166:     bond    (  5.169, -14.116,   0.695)  (  5.169, -14.113,   0.695)  ( 0.01,  0.02,  0.01)
166:     angle   (  3.342,   1.196,  -0.586)  (  3.343,   1.196,  -0.585)  ( 0.02,  0.01,  0.03)
166:     strbnd  ( -1.346,  -0.265,  -0.102)  ( -1.346,  -0.265,  -0.102)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3drp_r8e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3drs_r8d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ds6_a17.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dsi_t24.sdf
168:     bond    ( 20.776,   7.319,   0.909)  ( 20.781,   7.324,   0.914)  ( 0.02,  0.06,  0.43)
168:     angle   (-13.754,  -4.812,  -0.102)  (-13.752,  -4.809,  -0.101)  ( 0.01,  0.04,  0.02)
168:     strbnd  ( 12.427,   3.908,   0.157)  ( 12.424,   3.908,   0.156)  ( 0.02,  0.02,  0.01)
168:     torsion ( -0.002,  -0.005,   0.222)  ( -0.002,  -0.005,   0.222)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.001,  -0.001,   0.057)  ( -0.000,  -0.001,   0.042)  ( 0.00,  0.00,  0.09)
168:     vdw     ( -1.953,  -4.180,  -0.065)  ( -1.953,  -4.180,  -0.065)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.199,   0.482,   0.005)  ( -0.199,   0.482,   0.005)  ( 0.00,  0.00,  0.00)
168: 13       (-10.045,  -5.608,   1.125)  (-10.040,  -5.601,   1.145)  ( 0.05,  0.12,  1.79)
168:     bond    (-22.923,  -0.335,   0.145)  (-22.919,  -0.330,   0.150)  ( 0.02,  0.16,  0.07)
168:     angle   (  7.410,   2.850,  -0.382)  (  7.411,   2.852,  -0.380)  ( 0.03,  0.07,  0.06)
168:     strbnd  (  0.558,  -0.831,  -0.003)  (  0.557,  -0.831,  -0.003)  ( 0.07,  0.03,  0.00)
168:     torsion (  0.051,  -3.726,   1.437)  (  0.051,  -3.726,   1.438)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.001,  -0.000,  -0.079)  ( -0.001,  -0.000,  -0.065)  ( 0.00,  0.00,  0.11)
168:     vdw     (  6.098,  -3.967,   0.005)  (  6.098,  -3.967,   0.005)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.238,   0.401,   0.001)  ( -1.238,   0.401,   0.001)  ( 0.00,  0.00,  0.00)
168: 14       (  6.287,  -6.477,   3.822)  (  6.293,  -6.472,   3.842)  ( 0.10,  0.08,  0.53)
168:     bond    ( 11.197, -20.692,  -0.065)  ( 11.201, -20.688,  -0.061)  ( 0.04,  0.02,  0.03)
168:     angle   ( -3.458,   7.005,  -0.620)  ( -3.456,   7.007,  -0.619)  ( 0.06,  0.03,  0.09)
168:     strbnd  (  0.022,   0.227,   0.010)  (  0.021,   0.226,   0.009)  ( 0.00,  0.02,  0.00)
168:     torsion (  2.182,   1.253,   4.593)  (  2.182,   1.253,   4.593)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,  -0.001,  -0.092)  (  0.000,  -0.001,  -0.078)  ( 0.00,  0.00,  0.13)
168:     vdw     ( -4.679,   7.355,  -0.008)  ( -4.679,   7.355,  -0.008)  ( 0.00,  0.00,  0.00)
168:     electro (  1.023,  -1.624,   0.005)  (  1.023,  -1.624,   0.005)  ( 0.00,  0.00,  0.00)
168: 15       ( -0.856,   6.294,   0.492)  ( -0.855,   6.299,   0.441)  ( 0.07,  0.08,  2.50)
168:     bond    ( -0.036,   7.926,   0.175)  ( -0.036,   7.930,   0.175)  ( 0.00,  0.05,  0.00)
168:     angle   ( -5.802,  -0.026,  -0.014)  ( -5.802,  -0.026,  -0.014)  ( 0.01,  0.00,  0.00)
168:     strbnd  (  3.604,  -0.129,  -0.013)  (  3.604,  -0.129,  -0.013)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.001,  -0.003,   0.136)  (  0.001,  -0.003,   0.136)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,  -0.005,   0.223)  (  0.000,  -0.004,   0.172)  ( 0.00,  0.00,  1.13)
168:     vdw     (  1.248,  -1.217,  -0.011)  (  1.248,  -1.217,  -0.011)  ( 0.00,  0.00,  0.00)
168:     electro (  0.130,  -0.252,  -0.003)  (  0.130,  -0.252,  -0.003)  ( 0.00,  0.00,  0.00)
168: 16       (  3.795,  -2.075,  -0.170)  (  3.796,  -2.072,  -0.169)  ( 0.02,  0.17,  0.01)
168:     bond    ( -0.033,  -1.994,  -0.084)  ( -0.033,  -1.991,  -0.084)  ( 0.00,  0.17,  0.00)
168:     angle   (  5.569,  -0.090,  -0.056)  (  5.570,  -0.090,  -0.056)  ( 0.01,  0.00,  0.00)
168:     strbnd  (  2.049,   1.116,   0.067)  (  2.049,   1.116,   0.067)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.000,   0.000,  -0.009)  (  0.000,   0.000,  -0.009)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.791,  -1.108,  -0.087)  ( -3.791,  -1.108,  -0.087)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 17       (  3.734,   1.697,   3.317)  (  3.735,   1.697,   3.320)  ( 0.03,  0.05,  0.08)
168:     bond    ( -0.653,   0.424,   1.150)  ( -0.653,   0.424,   1.152)  ( 0.05,  0.01,  0.21)
168:     angle   (  4.116,   2.173,   1.530)  (  4.116,   2.174,   1.530)  ( 0.01,  0.02,  0.01)
168:     strbnd  (  2.185,   0.599,  -0.219)  (  2.185,   0.599,  -0.219)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.003,  -0.008,   0.004)  (  0.003,  -0.008,   0.004)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.916,  -1.492,   0.852)  ( -1.916,  -1.492,   0.852)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 18       (  3.357,   1.877,  -3.735)  (  3.358,   1.877,  -3.733)  ( 0.04,  0.05,  0.07)
168:     bond    ( -0.951,   0.766,  -1.640)  ( -0.950,   0.766,  -1.638)  ( 0.07,  0.04,  0.14)
168:     angle   (  4.217,   2.283,  -1.378)  (  4.217,   2.284,  -1.377)  ( 0.01,  0.02,  0.01)
168:     strbnd  (  2.195,   0.574,   0.319)  (  2.195,   0.574,   0.319)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.003,   0.007,   0.005)  ( -0.003,   0.007,   0.005)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.102,  -1.754,  -1.042)  ( -2.101,  -1.754,  -1.042)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 19       ( -0.948,   1.749,  -2.994)  ( -0.947,   1.750,  -2.991)  ( 0.08,  0.04,  0.10)
168:     bond    (  0.687,   0.547,  -1.969)  (  0.688,   0.547,  -1.967)  ( 0.02,  0.01,  0.15)
168:     angle   ( -2.117,   0.190,  -0.687)  ( -2.116,   0.190,  -0.687)  ( 0.02,  0.01,  0.01)
168:     strbnd  ( -1.351,  -0.031,   0.069)  ( -1.351,  -0.031,   0.069)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.009,   1.344,   0.371)  ( -0.009,   1.344,   0.371)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.840,  -0.300,  -0.777)  (  1.840,  -0.300,  -0.777)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 20       (  3.214,  -1.427,   1.320)  (  3.215,  -1.424,   1.320)  ( 0.03,  0.21,  0.05)
168:     bond    (  0.757,  -1.956,   0.504)  (  0.757,  -1.953,   0.504)  ( 0.03,  0.15,  0.01)
168:     angle   ( -2.944,  -1.085,   0.217)  ( -2.943,  -1.085,   0.218)  ( 0.02,  0.01,  0.01)
168:     strbnd  ( -1.362,   0.055,  -0.006)  ( -1.362,   0.055,  -0.006)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.001,  -0.023,  -0.087)  ( -0.001,  -0.023,  -0.087)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  6.765,   1.580,   0.691)  (  6.765,   1.580,   0.691)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 21       (  1.311,   2.298,   1.796)  (  1.312,   2.300,   1.798)  ( 0.07,  0.08,  0.10)
168:     bond    (  0.773,   1.536,   1.536)  (  0.773,   1.538,   1.538)  ( 0.03,  0.10,  0.10)
168:     angle   ( -2.380,   0.642,   0.554)  ( -2.380,   0.642,   0.554)  ( 0.02,  0.02,  0.01)
168:     strbnd  ( -1.349,  -0.045,  -0.017)  ( -1.349,  -0.045,  -0.017)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.034,   1.670,  -1.653)  ( -0.034,   1.670,  -1.653)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.301,  -1.506,   1.375)  (  4.301,  -1.506,   1.375)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 22       ( -2.919,   0.875,   1.448)  ( -2.916,   0.876,   1.450)  ( 0.08,  0.06,  0.11)
168:     bond    ( -1.870,  -0.110,   1.417)  ( -1.868,  -0.110,   1.418)  ( 0.12,  0.00,  0.09)
168:     angle   (  0.520,  -2.593,   0.484)  (  0.520,  -2.593,   0.484)  ( 0.01,  0.02,  0.01)
168:     strbnd  (  0.654,  -1.205,   0.011)  (  0.654,  -1.205,   0.011)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.476,  -0.834,  -2.010)  ( -1.476,  -0.834,  -2.010)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.746,   5.617,   1.547)  ( -0.746,   5.617,   1.547)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 23       ( -2.177,   4.626,   0.844)  ( -2.175,   4.628,   0.845)  ( 0.08,  0.05,  0.06)
168:     bond    (  1.483,   1.776,   0.765)  (  1.485,   1.778,   0.766)  ( 0.09,  0.10,  0.03)
173: ok 914 # molecular weight
173: ok 915 # molecular exact mass
173: ok 916 # molecular hydrogen-added formula
173: ok 917 # molecule + hydrogens weight
173: ok 918 # molecular exact mass after hydrogen addition
173: ok 919 # molecular formula
173: ok 920 # molecular weight
173: ok 921 # molecular exact mass
173: ok 922 # molecular hydrogen-added formula
173: ok 923 # molecule + hydrogens weight
173: ok 924 # molecular exact mass after hydrogen addition
173: ok 925 # molecular formula
173: ok 926 # molecular weight
173: ok 927 # molecular exact mass
173: ok 928 # molecular hydrogen-added formula
173: ok 929 # molecule + hydrogens weight
173: ok 930 # molecular exact mass after hydrogen addition
173: ok 931 # molecular formula
173: ok 932 # molecular weight
173: ok 933 # molecular exact mass
173: ok 934 # molecular hydrogen-added formula
173: ok 935 # molecule + hydrogens weight
173: ok 936 # molecular exact mass after hydrogen addition
173: ok 937 # molecular formula
173: ok 938 # molecular weight
173: ok 939 # molecular exact mass
173: ok 940 # molecular hydrogen-added formula
173: ok 941 # molecule + hydrogens weight
173: ok 942 # molecular exact mass after hydrogen addition
173: ok 943 # molecular formula
173: ok 944 # molecular weight
173: ok 945 # molecular exact mass
173: ok 946 # molecular hydrogen-added formula
173: ok 947 # molecule + hydrogens weight
173: ok 948 # molecular exact mass after hydrogen addition
173: ok 949 # molecular formula
173: ok 950 # molecular weight
173: ok 951 # molecular exact mass
173: ok 952 # molecular hydrogen-added formula
173: ok 953 # molecule + hydrogens weight
173: ok 954 # molecular exact mass after hydrogen addition
173: ok 955 # molecular formula
173: ok 956 # molecular weight
173: ok 957 # molecular exact mass
173: ok 958 # molecular hydrogen-added formula
173: ok 959 # molecule + hydrogens weight
173: ok 960 # molecular exact mass after hydrogen addition
173: ok 961 # molecular formula
173: ok 962 # molecular weight
173: ok 963 # molecular exact mass
173: ok 964 # molecular hydrogen-added formula
173: ok 965 # molecule + hydrogens weight
173: ok 966 # molecular exact mass after hydrogen addition
173: ok 967 # molecular formula
173: ok 968 # molecular weight
173: ok 969 # molecular exact mass
173: ok 970 # molecular hydrogen-added formula
173: ok 971 # molecule + hydrogens weight
173: ok 972 # molecular exact mass after hydrogen addition
173: ok 973 # molecular formula
173: ok 974 # molecular weight
173: ok 975 # molecular exact mass
173: ok 976 # molecular hydrogen-added formula
173: ok 977 # molecule + hydrogens weight
173: ok 978 # molecular exact mass after hydrogen addition
173: ok 979 # molecular formula
173: ok 980 # molecular weight
173: ok 981 # molecular exact mass
173: ok 982 # molecular hydrogen-added formula
173: ok 983 # molecule + hydrogens weight
173: ok 984 # molecular exact mass after hydrogen addition
173: ok 985 # molecular formula
173: ok 986 # molecular weight
173: ok 987 # molecular exact mass
173: ok 988 # molecular hydrogen-added formula
173: ok 989 # molecule + hydrogens weight
173: ok 990 # molecular exact mass after hydrogen addition
173: ok 991 # molecular formula
173: ok 992 # molecular weight
173: ok 993 # molecular exact mass
173: ok 994 # molecular hydrogen-added formula
173: ok 995 # molecule + hydrogens weight
173: ok 996 # molecular exact mass after hydrogen addition
173: ok 997 # molecular formula
173: ok 998 # molecular weight
173: ok 999 # molecular exact mass
173: ok 1000 # molecular hydrogen-added formula
173: ok 1001 # molecule + hydrogens weight
173: ok 1002 # molecular exact mass after hydrogen addition
173: ok 1003 # molecular formula
173: ok 1004 # molecular weight
173: ok 1005 # molecular exact mass
173: ok 1006 # molecular hydrogen-added formula
173: ok 1007 # molecule + hydrogens weight
173: ok 1008 # molecular exact mass after hydrogen addition
173: ok 1009 # molecular formula
173: ok 1010 # molecular weight
173: ok 1011 # molecular exact mass
173: ok 1012 # molecular hydrogen-added formula
173: ok 1013 # molecule + hydrogens weight
173: ok 1014 # molecular exact mass after hydrogen addition
173: ok 1015 # molecular formula
173: ok 1016 # molecular weight
173: ok 1017 # molecular exact mass
173: ok 1018 # molecular hydrogen-added formula
173: ok 1019 # molecule + hydrogens weight
173: ok 1020 # molecular exact mass after hydrogen addition
173: ok 1021 # molecular formula
173: ok 1022 # molecular weight
173: ok 1023 # molecular exact mass
173: ok 1024 # molecular hydrogen-added formula
173: ok 1025 # molecule + hydrogens weight
173: ok 1026 # molecular exact mass after hydrogen addition
173: ok 1027 # molecular formula
173: ok 1028 # molecular weight
173: ok 1029 # molecular exact mass
173: ok 1030 # molecular hydrogen-added formula
173: ok 1031 # molecule + hydrogens weight
173: ok 1032 # molecular exact mass after hydrogen addition
173: ok 1033 # molecular formula
173: ok 1034 # molecular weight
173: ok 1035 # molecular exact mass
173: ok 1036 # molecular hydrogen-added formula
173: ok 1037 # molecule + hydrogens weight
173: ok 1038 # molecular exact mass after hydrogen addition
173: ok 1039 # molecular formula
173: ok 1040 # molecular weight
173: ok 1041 # molecular exact mass
173: ok 1042 # molecular hydrogen-added formula
173: ok 1043 # molecule + hydrogens weight
173: ok 1044 # molecular exact mass after hydrogen addition
173: ok 1045 # molecular formula
173: ok 1046 # molecular weight
173: ok 1047 # molecular exact mass
173: ok 1048 # molecular hydrogen-added formula
173: ok 1049 # molecule + hydrogens weight
173: ok 1050 # molecular exact mass after hydrogen addition
173: ok 1051 # molecular formula
173: ok 1052 # molecular weight
173: ok 1053 # molecular exact mass
173: ok 1054 # molecular hydrogen-added formula
173: ok 1055 # molecule + hydrogens weight
173: ok 1056 # molecular exact mass after hydrogen addition
173: ok 1057 # molecular formula
173: ok 1058 # molecular weight
173: ok 1059 # molecular exact mass
173: ok 1060 # molecular hydrogen-added formula
173: ok 1061 # molecule + hydrogens weight
173: ok 1062 # molecular exact mass after hydrogen addition
173: ok 1063 # molecular formula
173: ok 1064 # molecular weight
173: ok 1065 # molecular exact mass
173: ok 1066 # molecular hydrogen-added formula
173: ok 1067 # molecule + hydrogens weight
173: ok 1068 # molecular exact mass after hydrogen addition
173: ok 1069 # molecular formula
173: ok 1070 # molecular weight
173: ok 1071 # molecular exact mass
173: ok 1072 # molecular hydrogen-added formula
173: ok 1073 # molecule + hydrogens weight
173: ok 1074 # molecular exact mass after hydrogen addition
173: ok 1075 # molecular formula
173: ok 1076 # molecular weight
173: ok 1077 # molecular exact mass
173: ok 1078 # molecular hydrogen-added formula
173: ok 1079 # molecule + hydrogens weight
173: ok 1080 # molecular exact mass after hydrogen addition
173: ok 1081 # molecular formula
173: ok 1082 # molecular weight
173: ok 1083 # molecular exact mass
173: ok 1084 # molecular hydrogen-added formula
173: ok 1085 # molecule + hydrogens weight
173: ok 1086 # molecular exact mass after hydrogen addition
173: ok 1087 # molecular formula
173: ok 1088 # molecular weight
173: ok 1089 # molecular exact mass
173: ok 1090 # molecular hydrogen-added formula
173: ok 1091 # molecule + hydrogens weight
173: ok 1092 # molecular exact mass after hydrogen addition
173: ok 1093 # molecular formula
173: ok 1094 # molecular weight
173: ok 1095 # molecular exact mass
173: ok 1096 # molecular hydrogen-added formula
173: ok 1097 # molecule + hydrogens weight
173: ok 1098 # molecular exact mass after hydrogen addition
173: ok 1099 # molecular formula
173: ok 1100 # molecular weight
173: ok 1101 # molecular exact mass
173: ok 1102 # molecular hydrogen-added formula
173: ok 1103 # molecule + hydrogens weight
173: ok 1104 # molecular exact mass after hydrogen addition
173: ok 1105 # molecular formula
173: ok 1106 # molecular weight
173: ok 1107 # molecular exact mass
173: ok 1108 # molecular hydrogen-added formula
173: ok 1109 # molecule + hydrogens weight
173: ok 1110 # molecular exact mass after hydrogen addition
173: ok 1111 # molecular formula
173: ok 1112 # molecular weight
173: ok 1113 # molecular exact mass
173: ok 1114 # molecular hydrogen-added formula
173: ok 1115 # molecule + hydrogens weight
173: ok 1116 # molecular exact mass after hydrogen addition
173: ok 1117 # molecular formula
173: ok 1118 # molecular weight
173: ok 1119 # molecular exact mass
173: ok 1120 # molecular hydrogen-added formula
173: ok 1121 # molecule + hydrogens weight
173: ok 1122 # molecular exact mass after hydrogen addition
173: ok 1123 # molecular formula
173: ok 1124 # molecular weight
173: ok 1125 # molecular exact mass
173: ok 1126 # molecular hydrogen-added formula
173: ok 1127 # molecule + hydrogens weight
173: ok 1128 # molecular exact mass after hydrogen addition
173: ok 1129 # molecular formula
173: ok 1130 # molecular weight
173: ok 1131 # molecular exact mass
173: ok 1132 # molecular hydrogen-added formula
173: ok 1133 # molecule + hydrogens weight
173: ok 1134 # molecular exact mass after hydrogen addition
173: ok 1135 # molecular formula
173: ok 1136 # molecular weight
173: ok 1137 # molecular exact mass
173: ok 1138 # molecular hydrogen-added formula
173: ok 1139 # molecule + hydrogens weight
173: ok 1140 # molecular exact mass after hydrogen addition
173: ok 1141 # molecular formula
173: ok 1142 # molecular weight
173: ok 1143 # molecular exact mass
173: ok 1144 # molecular hydrogen-added formula
173: ok 1145 # molecule + hydrogens weight
173: ok 1146 # molecular exact mass after hydrogen addition
173: ok 1147 # molecular formula
173: ok 1148 # molecular weight
173: ok 1149 # molecular exact mass
173: ok 1150 # molecular hydrogen-added formula
173: ok 1151 # molecule + hydrogens weight
173: ok 1152 # molecular exact mass after hydrogen addition
173: ok 1153 # molecular formula
173: ok 1154 # molecular weight
173: ok 1155 # molecular exact mass
173: ok 1156 # molecular hydrogen-added formula
173: ok 1157 # molecule + hydrogens weight
173: ok 1158 # molecular exact mass after hydrogen addition
173: ok 1159 # molecular formula
173: ok 1160 # molecular weight
173: ok 1161 # molecular exact mass
173: ok 1162 # molecular hydrogen-added formula
173: ok 1163 # molecule + hydrogens weight
173: ok 1164 # molecular exact mass after hydrogen addition
173: ok 1165 # molecular formula
173: ok 1166 # molecular weight
173: ok 1167 # molecular exact mass
173: ok 1168 # molecular hydrogen-added formula
173: ok 1169 # molecule + hydrogens weight
173: ok 1170 # molecular exact mass after hydrogen addition
173: ok 1171 # molecular formula
173: ok 1172 # molecular weight
173: ok 1173 # molecular exact mass
173: ok 1174 # molecular hydrogen-added formula
173: ok 1175 # molecule + hydrogens weight
173: ok 1176 # molecular exact mass after hydrogen addition
173: ok 1177 # molecular formula
173: ok 1178 # molecular weight
173: ok 1179 # molecular exact mass
173: ok 1180 # molecular hydrogen-added formula
173: ok 1181 # molecule + hydrogens weight
173: ok 1182 # molecular exact mass after hydrogen addition
173: ok 1183 # molecular formula
173: ok 1184 # molecular weight
173: ok 1185 # molecular exact mass
173: ok 1186 # molecular hydrogen-added formula
173: ok 1187 # molecule + hydrogens weight
173: ok 1188 # molecular exact mass after hydrogen addition
173: ok 1189 # molecular formula
173: ok 1190 # molecular weight
173: ok 1191 # molecular exact mass
173: ok 1192 # molecular hydrogen-added formula
173: ok 1193 # molecule + hydrogens weight
173: ok 1194 # molecular exact mass after hydrogen addition
173: ok 1195 # molecular formula
173: ok 1196 # molecular weight
173: ok 1197 # molecular exact mass
173: ok 1198 # molecular hydrogen-added formula
173: ok 1199 # molecule + hydrogens weight
173: ok 1200 # molecular exact mass after hydrogen addition
173: ok 1201 # molecular formula
173: ok 1202 # molecular weight
173: ok 1203 # molecular exact mass
173: ok 1204 # molecular hydrogen-added formula
173: ok 1205 # molecule + hydrogens weight
173: ok 1206 # molecular exact mass after hydrogen addition
173: ok 1207 # molecular formula
173: ok 1208 # molecular weight
173: ok 1209 # molecular exact mass
173: ok 1210 # molecular hydrogen-added formula
173: ok 1211 # molecule + hydrogens weight
173: ok 1212 # molecular exact mass after hydrogen addition
173: ok 1213 # molecular formula
173: ok 1214 # molecular weight
173: ok 1215 # molecular exact mass
173: ok 1216 # molecular hydrogen-added formula
173: ok 1217 # molecule + hydrogens weight
173: ok 1218 # molecular exact mass after hydrogen addition
173: ok 1219 # molecular formula
173: ok 1220 # molecular weight
173: ok 1221 # molecular exact mass
173: ok 1222 # molecular hydrogen-added formula
173: ok 1223 # molecule + hydrogens weight
173: ok 1224 # molecular exact mass after hydrogen addition
173: ok 1225 # molecular formula
173: ok 1226 # molecular weight
173: ok 1227 # molecular exact mass
173: ok 1228 # molecular hydrogen-added formula
173: ok 1229 # molecule + hydrogens weight
173: ok 1230 # molecular exact mass after hydrogen addition
173: ok 1231 # molecular formula
173: ok 1232 # molecular weight
173: ok 1233 # molecular exact mass
173: ok 1234 # molecular hydrogen-added formula
173: ok 1235 # molecule + hydrogens weight
173: ok 1236 # molecular exact mass after hydrogen addition
173: ok 1237 # molecular formula
173: ok 1238 # molecular weight
173: ok 1239 # molecular exact mass
173: ok 1240 # molecular hydrogen-added formula
173: ok 1241 # molecule + hydrogens weight
173: ok 1242 # molecular exact mass after hydrogen addition
173: ok 1243 # molecular formula
173: ok 1244 # molecular weight
173: ok 1245 # molecular exact mass
173: ok 1246 # molecular hydrogen-added formula
173: ok 1247 # molecule + hydrogens weight
173: ok 1248 # molecular exact mass after hydrogen addition
173: ok 1249 # molecular formula
173: ok 1250 # molecular weight
173: ok 1251 # molecular exact mass
173: ok 1252 # molecular hydrogen-added formula
173: ok 1253 # molecule + hydrogens weight
173: ok 1254 # molecular exact mass after hydrogen addition
173: ok 1255 # molecular formula
173: ok 1256 # molecular weight
173: ok 1257 # molecular exact mass
173: ok 1258 # molecular hydrogen-added formula
173: ok 1259 # molecule + hydrogens weight
173: ok 1260 # molecular exact mass after hydrogen addition
173: ok 1261 # molecular formula
173: ok 1262 # molecular weight
173: ok 1263 # molecular exact mass
173: ok 1264 # molecular hydrogen-added formula
173: ok 1265 # molecule + hydrogens weight
173: ok 1266 # molecular exact mass after hydrogen addition
173: ok 1267 # molecular formula
173: ok 1268 # molecular weight
173: ok 1269 # molecular exact mass
173: ok 1270 # molecular hydrogen-added formula
173: ok 1271 # molecule + hydrogens weight
173: ok 1272 # molecular exact mass after hydrogen addition
173: ok 1273 # molecular formula
173: ok 1274 # molecular weight
173: ok 1275 # molecular exact mass
173: ok 1276 # molecular hydrogen-added formula
173: ok 1277 # molecule + hydrogens weight
173: ok 1278 # molecular exact mass after hydrogen addition
173: ok 1279 # molecular formula
173: ok 1280 # molecular weight
173: ok 1281 # molecular exact mass
173: ok 1282 # molecular hydrogen-added formula
173: ok 1283 # molecule + hydrogens weight
173: ok 1284 # molecular exact mass after hydrogen addition
173: ok 1285 # molecular formula
173: ok 1286 # molecular weight
173: ok 1287 # molecular exact mass
173: ok 1288 # molecular hydrogen-added formula
173: ok 1289 # molecule + hydrogens weight
173: ok 1290 # molecular exact mass after hydrogen addition
173: ok 1291 # molecular formula
173: ok 1292 # molecular weight
173: ok 1293 # molecular exact mass
173: ok 1294 # molecular hydrogen-added formula
173: ok 1295 # molecule + hydrogens weight
173: ok 1296 # molecular exact mass after hydrogen addition
173: ok 1297 # molecular formula
173: ok 1298 # molecular weight
173: ok 1299 # molecular exact mass
173: ok 1300 # molecular hydrogen-added formula
173: ok 1301 # molecule + hydrogens weight
173: ok 1302 # molecular exact mass after hydrogen addition
173: ok 1303 # molecular formula
173: ok 1304 # molecular weight
173: ok 1305 # molecular exact mass
173: ok 1306 # molecular hydrogen-added formula
173: ok 1307 # molecule + hydrogens weight
173: ok 1308 # molecular exact mass after hydrogen addition
173: ok 1309 # molecular formula
173: ok 1310 # molecular weight
173: ok 1311 # molecular exact mass
173: ok 1312 # molecular hydrogen-added formula
173: ok 1313 # molecule + hydrogens weight
173: ok 1314 # molecular exact mass after hydrogen addition
173: ok 1315 # molecular formula
173: ok 1316 # molecular weight
173: ok 1317 # molecular exact mass
173: ok 1318 # molecular hydrogen-added formula
173: ok 1319 # molecule + hydrogens weight
173: ok 1320 # molecular exact mass after hydrogen addition
173: ok 1321 # molecular formula
173: ok 1322 # molecular weight
173: ok 1323 # molecular exact mass
173: ok 1324 # molecular hydrogen-added formula
173: ok 1325 # molecule + hydrogens weight
173: ok 1326 # molecular exact mass after hydrogen addition
173: ok 1327 # molecular formula
173: ok 1328 # molecular weight
173: ok 1329 # molecular exact mass
173: ok 1330 # molecular hydrogen-added formula
173: ok 1331 # molecule + hydrogens weight
173: ok 1332 # molecular exact mass after hydrogen addition
173: ok 1333 # molecular formula
173: ok 1334 # molecular weight
173: ok 1335 # molecular exact mass
173: ok 1336 # molecular hydrogen-added formula
173: ok 1337 # molecule + hydrogens weight
173: ok 1338 # molecular exact mass after hydrogen addition
173: ok 1339 # molecular formula
173: ok 1340 # molecular weight
173: ok 1341 # molecular exact mass
173: ok 1342 # molecular hydrogen-added formula
173: ok 1343 # molecule + hydrogens weight
173: ok 1344 # molecular exact mass after hydrogen addition
173: ok 1345 # molecular formula
173: ok 1346 # molecular weight
173: ok 1347 # molecular exact mass
173: ok 1348 # molecular hydrogen-added formula
173: ok 1349 # molecule + hydrogens weight
173: ok 1350 # molecular exact mass after hydrogen addition
173: ok 1351 # molecular formula
173: ok 1352 # molecular weight
173: ok 1353 # molecular exact mass
173: ok 1354 # molecular hydrogen-added formula
173: ok 1355 # molecule + hydrogens weight
173: ok 1356 # molecular exact mass after hydrogen addition
173: ok 1357 # molecular formula
173: ok 1358 # molecular weight
173: ok 1359 # molecular exact mass
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dt1_p40.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dt3_369.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dt7_gtp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dt7_spv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dtc_vin.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dtu_trd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dtw_a96.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3du8_553.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dv3_mek.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dws_fic.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dx1_yho.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dx2_mzb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dx3_ytb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dx4_goo.sdf
166:     torsion (  0.449,   0.094,  -1.417)  (  0.449,   0.094,  -1.417)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.769,   1.870,   2.782)  ( -3.769,   1.870,   2.782)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 35       (  3.186,   4.348, -12.560)  (  3.187,   4.349, -12.557)  ( 0.03,  0.02,  0.02)
166:     bond    (  3.564,   5.536, -13.771)  (  3.564,   5.537, -13.769)  ( 0.01,  0.01,  0.02)
166:     angle   (  4.272,   0.896,   1.466)  (  4.273,   0.896,   1.466)  ( 0.01,  0.04,  0.01)
166:     strbnd  ( -1.404,  -0.280,   0.081)  ( -1.404,  -0.280,   0.081)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.176,  -0.765,  -0.353)  ( -0.176,  -0.765,  -0.353)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -3.070,  -1.039,   0.017)  ( -3.070,  -1.039,   0.017)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 36       ( 12.939,  -0.809,   0.266)  ( 12.942,  -0.808,   0.266)  ( 0.02,  0.05,  0.02)
166:     bond    ( 14.948,  -0.872,  -2.186)  ( 14.951,  -0.871,  -2.186)  ( 0.02,  0.01,  0.01)
166:     angle   ( -0.194,  -0.295,  -1.209)  ( -0.194,  -0.294,  -1.209)  ( 0.00,  0.01,  0.05)
166:     strbnd  ( -0.620,   0.104,   0.833)  ( -0.620,   0.104,   0.833)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.055,   0.235,   0.284)  (  0.055,   0.235,   0.284)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.250,   0.018,   2.544)  ( -1.250,   0.018,   2.544)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 37       ( -3.970,  10.635,   0.243)  ( -3.969,  10.638,   0.244)  ( 0.02,  0.03,  0.02)
166:     bond    ( -3.964,  14.301,  -1.740)  ( -3.964,  14.304,  -1.740)  ( 0.01,  0.02,  0.01)
166:     angle   (  0.591,  -0.040,  -1.679)  (  0.592,  -0.040,  -1.678)  ( 0.03,  0.00,  0.03)
166:     strbnd  (  0.204,  -0.463,   0.799)  (  0.204,  -0.463,   0.799)  ( 0.00,  0.00,  0.00)
166:     torsion (  1.285,   0.262,  -0.775)  (  1.285,   0.262,  -0.775)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.086,  -3.424,   3.639)  ( -2.086,  -3.424,   3.639)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 38       ( -0.865,  -4.190,  12.257)  ( -0.865,  -4.189,  12.259)  ( 0.07,  0.02,  0.02)
166:     bond    ( -3.389,  -5.369,  13.737)  ( -3.388,  -5.369,  13.739)  ( 0.01,  0.01,  0.02)
166:     angle   ( -1.029,  -0.520,  -0.457)  ( -1.029,  -0.520,  -0.457)  ( 0.05,  0.02,  0.00)
166:     strbnd  (  0.813,   0.452,  -0.424)  (  0.813,   0.452,  -0.424)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.168,   0.305,   0.160)  (  0.168,   0.305,   0.160)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.572,   0.942,  -0.759)  (  2.572,   0.942,  -0.759)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 39       ( -2.366,  11.043,  -1.302)  ( -2.365,  11.045,  -1.301)  ( 0.04,  0.02,  0.05)
166:     bond    ( -5.175,  13.998,  -0.756)  ( -5.174,  14.001,  -0.756)  ( 0.01,  0.02,  0.01)
166:     angle   ( -1.747,  -0.629,   0.301)  ( -1.746,  -0.629,   0.301)  ( 0.03,  0.00,  0.01)
166:     strbnd  (  0.846,  -0.285,   0.215)  (  0.846,  -0.285,   0.215)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.933,  -0.284,   1.129)  ( -0.933,  -0.284,   1.129)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  4.643,  -1.758,  -2.190)  (  4.643,  -1.758,  -2.190)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 40       (-14.084,   0.166,   1.101)  (-14.081,   0.167,   1.102)  ( 0.02,  0.01,  0.07)
166:     bond    (-15.161,   0.766,   2.378)  (-15.158,   0.766,   2.378)  ( 0.02,  0.01,  0.01)
166:     angle   (  0.632,  -0.293,   4.123)  (  0.632,  -0.293,   4.124)  ( 0.00,  0.01,  0.01)
166:     strbnd  (  0.268,   0.146,  -1.361)  (  0.268,   0.146,  -1.361)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.102,  -0.786,  -0.394)  ( -0.102,  -0.786,  -0.394)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.279,   0.334,  -3.644)  (  0.280,   0.334,  -3.644)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 41       (  4.171, -11.140,   1.325)  (  4.172, -11.137,   1.325)  ( 0.02,  0.02,  0.06)
166:     bond    (  4.150, -14.362,   1.795)  (  4.150, -14.360,   1.795)  ( 0.01,  0.02,  0.01)
166:     angle   ( -1.040,   0.213,   4.111)  ( -1.039,   0.213,   4.111)  ( 0.04,  0.00,  0.01)
166:     strbnd  (  0.104,   0.125,  -1.337)  (  0.104,   0.125,  -1.337)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.377,  -0.373,   0.198)  ( -1.377,  -0.373,   0.198)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.335,   3.257,  -3.441)  (  2.335,   3.257,  -3.441)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 42       ( -4.567,  10.654,  -2.215)  ( -4.567,  10.656,  -2.215)  ( 0.02,  0.03,  0.03)
166:     bond    ( -3.731,  13.029,  -0.572)  ( -3.730,  13.032,  -0.572)  ( 0.01,  0.02,  0.00)
166:     angle   (  1.346,   0.459,   1.669)  (  1.346,   0.459,   1.669)  ( 0.03,  0.00,  0.03)
166:     strbnd  ( -0.246,  -0.135,  -0.322)  ( -0.246,  -0.135,  -0.322)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.006,  -0.001,   0.005)  ( -0.006,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.931,  -2.698,  -2.995)  ( -1.931,  -2.698,  -2.995)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 43       ( 11.621,  -1.350,  -2.700)  ( 11.624,  -1.349,  -2.700)  ( 0.03,  0.04,  0.02)
166:     bond    ( 13.434,  -0.728,  -1.655)  ( 13.437,  -0.728,  -1.655)  ( 0.02,  0.01,  0.01)
166:     angle   (  0.239,  -0.414,   2.123)  (  0.239,  -0.413,   2.123)  ( 0.00,  0.02,  0.02)
166:     strbnd  ( -0.632,  -0.208,  -0.263)  ( -0.633,  -0.208,  -0.263)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.014,   0.348,  -0.265)  ( -0.014,   0.348,  -0.265)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -1.406,  -0.348,  -2.640)  ( -1.406,  -0.348,  -2.640)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 44       ( -3.360,  -5.091,  10.354)  ( -3.359,  -5.090,  10.356)  ( 0.02,  0.02,  0.03)
166:     bond    ( -2.735,  -4.743,  12.407)  ( -2.734,  -4.742,  12.410)  ( 0.01,  0.01,  0.02)
166:     angle   (  2.115,   0.037,   0.480)  (  2.115,   0.037,   0.480)  ( 0.02,  0.00,  0.00)
166:     strbnd  ( -0.131,  -0.084,  -0.698)  ( -0.131,  -0.084,  -0.698)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.336,   0.257,   0.024)  ( -0.336,   0.257,   0.024)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -2.272,  -0.558,  -1.860)  ( -2.272,  -0.558,  -1.860)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 45       (  6.016,   7.613,   2.296)  (  6.018,   7.618,   2.287)  ( 0.03,  0.06,  0.41)
166:     bond    (  9.306,   9.280,   2.085)  (  9.308,   9.282,   2.085)  ( 0.02,  0.02,  0.01)
166:     angle   ( -0.825,   0.781,   0.202)  ( -0.825,   0.782,   0.202)  ( 0.03,  0.02,  0.00)
166:     strbnd  ( -0.536,  -0.577,  -0.147)  ( -0.536,  -0.577,  -0.147)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.003,   0.038,  -0.155)  ( -0.003,   0.038,  -0.155)  ( 0.00,  0.00,  0.00)
173: ok 1360 # molecular hydrogen-added formula
173: ok 1361 # molecule + hydrogens weight
173: ok 1362 # molecular exact mass after hydrogen addition
173: ok 1363 # molecular formula
173: ok 1364 # molecular weight
173: ok 1365 # molecular exact mass
173: ok 1366 # molecular hydrogen-added formula
173: ok 1367 # molecule + hydrogens weight
173: ok 1368 # molecular exact mass after hydrogen addition
173: ok 1369 # molecular formula
173: ok 1370 # molecular weight
173: ok 1371 # molecular exact mass
173: ok 1372 # molecular hydrogen-added formula
173: ok 1373 # molecule + hydrogens weight
173: ok 1374 # molecular exact mass after hydrogen addition
173: ok 1375 # molecular formula
173: ok 1376 # molecular weight
173: ok 1377 # molecular exact mass
173: ok 1378 # molecular hydrogen-added formula
173: ok 1379 # molecule + hydrogens weight
173: ok 1380 # molecular exact mass after hydrogen addition
173: ok 1381 # molecular formula
173: ok 1382 # molecular weight
173: ok 1383 # molecular exact mass
173: ok 1384 # molecular hydrogen-added formula
173: ok 1385 # molecule + hydrogens weight
173: ok 1386 # molecular exact mass after hydrogen addition
173: ok 1387 # molecular formula
173: ok 1388 # molecular weight
173: ok 1389 # molecular exact mass
173: ok 1390 # molecular hydrogen-added formula
173: ok 1391 # molecule + hydrogens weight
173: ok 1392 # molecular exact mass after hydrogen addition
173: ok 1393 # molecular formula
173: ok 1394 # molecular weight
173: ok 1395 # molecular exact mass
173: ok 1396 # molecular hydrogen-added formula
173: ok 1397 # molecule + hydrogens weight
173: ok 1398 # molecular exact mass after hydrogen addition
173: ok 1399 # molecular formula
173: ok 1400 # molecular weight
173: ok 1401 # molecular exact mass
173: ok 1402 # molecular hydrogen-added formula
173: ok 1403 # molecule + hydrogens weight
173: ok 1404 # molecular exact mass after hydrogen addition
173: ok 1405 # molecular formula
173: ok 1406 # molecular weight
173: ok 1407 # molecular exact mass
173: ok 1408 # molecular hydrogen-added formula
173: ok 1409 # molecule + hydrogens weight
173: ok 1410 # molecular exact mass after hydrogen addition
173: ok 1411 # molecular formula
173: ok 1412 # molecular weight
173: ok 1413 # molecular exact mass
173: ok 1414 # molecular hydrogen-added formula
173: ok 1415 # molecule + hydrogens weight
173: ok 1416 # molecular exact mass after hydrogen addition
173: ok 1417 # molecular formula
173: ok 1418 # molecular weight
173: ok 1419 # molecular exact mass
173: ok 1420 # molecular hydrogen-added formula
173: ok 1421 # molecule + hydrogens weight
173: ok 1422 # molecular exact mass after hydrogen addition
173: ok 1423 # molecular formula
173: ok 1424 # molecular weight
173: ok 1425 # molecular exact mass
173: ok 1426 # molecular hydrogen-added formula
173: ok 1427 # molecule + hydrogens weight
173: ok 1428 # molecular exact mass after hydrogen addition
173: ok 1429 # molecular formula
173: ok 1430 # molecular weight
173: ok 1431 # molecular exact mass
173: ok 1432 # molecular hydrogen-added formula
173: ok 1433 # molecule + hydrogens weight
173: ok 1434 # molecular exact mass after hydrogen addition
173: ok 1435 # molecular formula
173: ok 1436 # molecular weight
173: ok 1437 # molecular exact mass
173: ok 1438 # molecular hydrogen-added formula
173: ok 1439 # molecule + hydrogens weight
173: ok 1440 # molecular exact mass after hydrogen addition
173: ok 1441 # molecular formula
173: ok 1442 # molecular weight
173: ok 1443 # molecular exact mass
173: ok 1444 # molecular hydrogen-added formula
173: ok 1445 # molecule + hydrogens weight
173: ok 1446 # molecular exact mass after hydrogen addition
173: ok 1447 # molecular formula
173: ok 1448 # molecular weight
173: ok 1449 # molecular exact mass
173: ok 1450 # molecular hydrogen-added formula
173: ok 1451 # molecule + hydrogens weight
173: ok 1452 # molecular exact mass after hydrogen addition
173: ok 1453 # molecular formula
173: ok 1454 # molecular weight
173: ok 1455 # molecular exact mass
173: ok 1456 # molecular hydrogen-added formula
173: ok 1457 # molecule + hydrogens weight
173: ok 1458 # molecular exact mass after hydrogen addition
173: ok 1459 # molecular formula
173: ok 1460 # molecular weight
173: ok 1461 # molecular exact mass
173: ok 1462 # molecular hydrogen-added formula
173: ok 1463 # molecule + hydrogens weight
173: ok 1464 # molecular exact mass after hydrogen addition
173: ok 1465 # molecular formula
173: ok 1466 # molecular weight
173: ok 1467 # molecular exact mass
173: ok 1468 # molecular hydrogen-added formula
173: ok 1469 # molecule + hydrogens weight
173: ok 1470 # molecular exact mass after hydrogen addition
173: ok 1471 # molecular formula
173: ok 1472 # molecular weight
173: ok 1473 # molecular exact mass
173: ok 1474 # molecular hydrogen-added formula
173: ok 1475 # molecule + hydrogens weight
173: ok 1476 # molecular exact mass after hydrogen addition
173: ok 1477 # molecular formula
173: ok 1478 # molecular weight
173: ok 1479 # molecular exact mass
173: ok 1480 # molecular hydrogen-added formula
173: ok 1481 # molecule + hydrogens weight
173: ok 1482 # molecular exact mass after hydrogen addition
173: ok 1483 # molecular formula
173: ok 1484 # molecular weight
173: ok 1485 # molecular exact mass
173: ok 1486 # molecular hydrogen-added formula
173: ok 1487 # molecule + hydrogens weight
173: ok 1488 # molecular exact mass after hydrogen addition
173: ok 1489 # molecular formula
173: ok 1490 # molecular weight
173: ok 1491 # molecular exact mass
173: ok 1492 # molecular hydrogen-added formula
173: ok 1493 # molecule + hydrogens weight
173: ok 1494 # molecular exact mass after hydrogen addition
173: ok 1495 # molecular formula
173: ok 1496 # molecular weight
173: ok 1497 # molecular exact mass
173: ok 1498 # molecular hydrogen-added formula
173: ok 1499 # molecule + hydrogens weight
173: ok 1500 # molecular exact mass after hydrogen addition
173: ok 1501 # molecular formula
173: ok 1502 # molecular weight
173: ok 1503 # molecular exact mass
173: ok 1504 # molecular hydrogen-added formula
173: ok 1505 # molecule + hydrogens weight
173: ok 1506 # molecular exact mass after hydrogen addition
173: ok 1507 # molecular formula
173: ok 1508 # molecular weight
173: ok 1509 # molecular exact mass
173: ok 1510 # molecular hydrogen-added formula
173: ok 1511 # molecule + hydrogens weight
173: ok 1512 # molecular exact mass after hydrogen addition
173: ok 1513 # molecular formula
173: ok 1514 # molecular weight
173: ok 1515 # molecular exact mass
173: ok 1516 # molecular hydrogen-added formula
173: ok 1517 # molecule + hydrogens weight
173: ok 1518 # molecular exact mass after hydrogen addition
173: ok 1519 # molecular formula
173: ok 1520 # molecular weight
173: ok 1521 # molecular exact mass
173: ok 1522 # molecular hydrogen-added formula
173: ok 1523 # molecule + hydrogens weight
173: ok 1524 # molecular exact mass after hydrogen addition
173: ok 1525 # molecular formula
173: ok 1526 # molecular weight
173: ok 1527 # molecular exact mass
173: ok 1528 # molecular hydrogen-added formula
173: ok 1529 # molecule + hydrogens weight
173: ok 1530 # molecular exact mass after hydrogen addition
173: ok 1531 # molecular formula
173: ok 1532 # molecular weight
173: ok 1533 # molecular exact mass
173: ok 1534 # molecular hydrogen-added formula
173: ok 1535 # molecule + hydrogens weight
173: ok 1536 # molecular exact mass after hydrogen addition
173: ok 1537 # molecular formula
173: ok 1538 # molecular weight
173: ok 1539 # molecular exact mass
173: ok 1540 # molecular hydrogen-added formula
173: ok 1541 # molecule + hydrogens weight
173: ok 1542 # molecular exact mass after hydrogen addition
173: ok 1543 # molecular formula
173: ok 1544 # molecular weight
173: ok 1545 # molecular exact mass
173: ok 1546 # molecular hydrogen-added formula
173: ok 1547 # molecule + hydrogens weight
173: ok 1548 # molecular exact mass after hydrogen addition
173: ok 1549 # molecular formula
173: ok 1550 # molecular weight
173: ok 1551 # molecular exact mass
173: ok 1552 # molecular hydrogen-added formula
173: ok 1553 # molecule + hydrogens weight
173: ok 1554 # molecular exact mass after hydrogen addition
173: ok 1555 # molecular formula
173: ok 1556 # molecular weight
173: ok 1557 # molecular exact mass
173: ok 1558 # molecular hydrogen-added formula
173: ok 1559 # molecule + hydrogens weight
173: ok 1560 # molecular exact mass after hydrogen addition
173: ok 1561 # molecular formula
173: ok 1562 # molecular weight
173: ok 1563 # molecular exact mass
173: ok 1564 # molecular hydrogen-added formula
173: ok 1565 # molecule + hydrogens weight
173: ok 1566 # molecular exact mass after hydrogen addition
173: ok 1567 # molecular formula
173: ok 1568 # molecular weight
173: ok 1569 # molecular exact mass
173: ok 1570 # molecular hydrogen-added formula
173: ok 1571 # molecule + hydrogens weight
173: ok 1572 # molecular exact mass after hydrogen addition
173: ok 1573 # molecular formula
173: ok 1574 # molecular weight
173: ok 1575 # molecular exact mass
173: ok 1576 # molecular hydrogen-added formula
173: ok 1577 # molecule + hydrogens weight
173: ok 1578 # molecular exact mass after hydrogen addition
173: ok 1579 # molecular formula
173: ok 1580 # molecular weight
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dy6_dy6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dy7_1cx.sdf
173: ok 1581 # molecular exact mass
173: ok 1582 # molecular hydrogen-added formula
173: ok 1583 # molecule + hydrogens weight
173: ok 1584 # molecular exact mass after hydrogen addition
173: ok 1585 # molecular formula
173: ok 1586 # molecular weight
173: ok 1587 # molecular exact mass
173: ok 1588 # molecular hydrogen-added formula
173: ok 1589 # molecule + hydrogens weight
173: ok 1590 # molecular exact mass after hydrogen addition
173: ok 1591 # molecular formula
173: ok 1592 # molecular weight
173: ok 1593 # molecular exact mass
173: ok 1594 # molecular hydrogen-added formula
173: ok 1595 # molecule + hydrogens weight
173: ok 1596 # molecular exact mass after hydrogen addition
173: ok 1597 # molecular formula
173: ok 1598 # molecular weight
173: ok 1599 # molecular exact mass
173: ok 1600 # molecular hydrogen-added formula
173: ok 1601 # molecule + hydrogens weight
173: ok 1602 # molecular exact mass after hydrogen addition
173: ok 1603 # molecular formula
173: ok 1604 # molecular weight
173: ok 1605 # molecular exact mass
173: ok 1606 # molecular hydrogen-added formula
173: ok 1607 # molecule + hydrogens weight
173: ok 1608 # molecular exact mass after hydrogen addition
173: ok 1609 # molecular formula
173: ok 1610 # molecular weight
173: ok 1611 # molecular exact mass
173: ok 1612 # molecular hydrogen-added formula
173: ok 1613 # molecule + hydrogens weight
173: ok 1614 # molecular exact mass after hydrogen addition
173: ok 1615 # molecular formula
173: ok 1616 # molecular weight
173: ok 1617 # molecular exact mass
173: ok 1618 # molecular hydrogen-added formula
173: ok 1619 # molecule + hydrogens weight
173: ok 1620 # molecular exact mass after hydrogen addition
173: ok 1621 # molecular formula
173: ok 1622 # molecular weight
173: ok 1623 # molecular exact mass
173: ok 1624 # molecular hydrogen-added formula
173: ok 1625 # molecule + hydrogens weight
173: ok 1626 # molecular exact mass after hydrogen addition
173: ok 1627 # molecular formula
173: ok 1628 # molecular weight
173: ok 1629 # molecular exact mass
173: ok 1630 # molecular hydrogen-added formula
173: ok 1631 # molecule + hydrogens weight
173: ok 1632 # molecular exact mass after hydrogen addition
173: 1..1632
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dya_pzl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dyq_pcg.sdf
170/208 Test #173: test_formula_1 ...................   Passed    0.16 sec
test 178
        Start 178: test_logp_psa_1
178: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "logp_psa" "1"
178: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
178: Environment variables: 
178:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
178:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
178: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dz2_a8m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dz4_c8m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dz6_m8e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dz7_o8m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dzi_rgt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dzq_ifc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3dzt_eah.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e01_pz2.sdf
168:     angle   (  2.624,  -2.307,   0.268)  (  2.625,  -2.307,   0.268)  ( 0.01,  0.01,  0.01)
168:     strbnd  (  0.634,  -1.241,  -0.006)  (  0.634,  -1.242,  -0.006)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.519,   0.264,  -1.620)  (  0.519,   0.264,  -1.620)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -7.437,   6.134,   1.436)  ( -7.437,   6.134,   1.436)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 24       ( -0.385,  -1.508,  -3.050)  ( -0.385,  -1.508,  -3.047)  ( 0.03,  0.04,  0.10)
168:     bond    ( -0.615,   0.404,  -1.895)  ( -0.615,   0.404,  -1.892)  ( 0.02,  0.01,  0.16)
168:     angle   (  0.873,  -1.806,  -0.669)  (  0.873,  -1.806,  -0.669)  ( 0.04,  0.03,  0.01)
168:     strbnd  (  0.665,  -1.206,   0.041)  (  0.665,  -1.206,   0.041)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.796,  -0.434,   0.166)  ( -0.796,  -0.434,   0.166)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.512,   1.534,  -0.692)  ( -0.512,   1.534,  -0.692)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: ok 20 # gradients 
168: ok 21 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e0p_b3c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e12_kd0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e16_b4c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e2m_e2m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e30_ed4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e32_ed2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e33_ed7.sdf
166:     oop     (  0.001,  -0.014,   0.060)  (  0.001,  -0.012,   0.050)  ( 0.00,  0.00,  0.06)
166:     vdw     (  0.608,  -1.936,  -0.168)  (  0.608,  -1.936,  -0.168)  ( 0.00,  0.00,  0.00)
166:     electro ( -2.535,   0.041,   0.419)  ( -2.535,   0.041,   0.419)  ( 0.00,  0.00,  0.00)
166: 46       ( -0.787,   8.785,   2.088)  ( -0.787,   8.791,   2.076)  ( 0.06,  0.07,  0.60)
166:     bond    ( -2.236,  11.174,   2.917)  ( -2.236,  11.177,   2.918)  ( 0.01,  0.03,  0.01)
166:     angle   (  7.037,   1.340,   0.260)  (  7.038,   1.340,   0.260)  ( 0.01,  0.00,  0.00)
166:     strbnd  (  0.866,  -2.736,  -0.746)  (  0.866,  -2.736,  -0.746)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.005,  -0.155,   0.595)  (  0.005,  -0.155,   0.596)  ( 0.00,  0.00,  0.02)
166:     oop     (  0.002,  -0.022,   0.087)  (  0.001,  -0.019,   0.074)  ( 0.00,  0.01,  0.11)
166:     vdw     ( -6.676,  -0.740,  -0.917)  ( -6.676,  -0.740,  -0.917)  ( 0.00,  0.00,  0.00)
166:     electro (  0.216,  -0.076,  -0.108)  (  0.216,  -0.076,  -0.108)  ( 0.00,  0.00,  0.00)
166: 47       (  3.539,  -5.729,  -2.999)  (  3.540,  -5.736,  -2.962)  ( 0.03,  0.12,  1.22)
166:     bond    (  3.394, -11.784,  -3.276)  (  3.394, -11.781,  -3.275)  ( 0.01,  0.03,  0.01)
166:     angle   (  2.930,   0.813,   0.113)  (  2.931,   0.813,   0.113)  ( 0.02,  0.00,  0.00)
166:     strbnd  ( -0.210,   2.122,   0.663)  ( -0.210,   2.122,   0.663)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.017,   0.295,  -1.081)  ( -0.017,   0.295,  -1.080)  ( 0.00,  0.00,  0.03)
166:     oop     ( -0.001,   0.065,  -0.234)  ( -0.001,   0.055,  -0.198)  ( 0.00,  0.06,  0.85)
166:     vdw     ( -3.105,   0.175,   0.934)  ( -3.105,   0.175,   0.934)  ( 0.01,  0.00,  0.00)
166:     electro (  0.548,   2.584,  -0.118)  (  0.548,   2.584,  -0.118)  ( 0.00,  0.00,  0.00)
166: 48       (-12.816,  -1.854,   2.520)  (-12.814,  -1.854,   2.521)  ( 0.02,  0.04,  0.03)
166:     bond    (-14.576,  -0.381,   3.434)  (-14.573,  -0.381,   3.434)  ( 0.02,  0.00,  0.01)
166:     angle   (  0.009,  -1.112,  -0.086)  (  0.009,  -1.111,  -0.085)  ( 0.00,  0.06,  0.00)
166:     strbnd  (  1.318,  -0.737,  -0.196)  (  1.318,  -0.737,  -0.196)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.019,   0.024,   0.082)  (  0.019,   0.024,   0.082)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.413,   0.351,  -0.714)  (  0.413,   0.351,  -0.714)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 49       (  5.085,   1.582,   9.404)  (  5.086,   1.583,   9.406)  ( 0.02,  0.07,  0.02)
166:     bond    (  5.282,   5.246,   8.963)  (  5.283,   5.247,   8.965)  ( 0.01,  0.01,  0.02)
166:     angle   ( -6.276,   0.410,   3.458)  ( -6.276,   0.410,   3.458)  ( 0.01,  0.02,  0.01)
166:     strbnd  (  0.301,  -0.757,   0.046)  (  0.301,  -0.757,   0.046)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.066,   0.065,   0.001)  ( -0.066,   0.065,   0.001)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  5.844,  -3.382,  -3.063)  (  5.844,  -3.382,  -3.063)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 50       ( -4.133,  12.029,  -0.342)  ( -4.132,  12.031,  -0.341)  ( 0.02,  0.02,  0.02)
166:     bond    ( -5.002,  12.797,   0.970)  ( -5.002,  12.800,   0.970)  ( 0.01,  0.02,  0.01)
166:     angle   (  0.821,   0.446,  -1.651)  (  0.821,   0.446,  -1.650)  ( 0.03,  0.00,  0.03)
166:     strbnd  (  0.347,  -0.722,  -0.122)  (  0.347,  -0.722,  -0.122)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.174,  -0.064,  -0.056)  ( -0.174,  -0.064,  -0.056)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.125,  -0.429,   0.516)  ( -0.125,  -0.429,   0.516)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 51       ( 12.057,   2.405,  -2.800)  ( 12.060,   2.406,  -2.799)  ( 0.02,  0.02,  0.03)
166:     bond    ( 11.866,   0.949,  -3.585)  ( 11.869,   0.949,  -3.584)  ( 0.02,  0.01,  0.01)
166:     angle   ( -1.377,   2.670,  -3.852)  ( -1.377,   2.670,  -3.852)  ( 0.00,  0.02,  0.01)
166:     strbnd  ( -0.478,  -0.001,   0.072)  ( -0.478,  -0.001,   0.072)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.190,   2.069,   1.178)  (  0.190,   2.069,   1.178)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  1.856,  -3.282,   3.388)  (  1.856,  -3.282,   3.388)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 52       ( -7.404,  -4.012,  -9.315)  ( -7.403,  -4.011,  -9.313)  ( 0.02,  0.03,  0.02)
166:     bond    ( -6.876,  -6.421, -10.083)  ( -6.875,  -6.420, -10.081)  ( 0.01,  0.01,  0.02)
166:     angle   (  0.750,   1.477,  -1.453)  (  0.750,   1.478,  -1.453)  ( 0.03,  0.03,  0.02)
166:     strbnd  (  0.385,   0.337,   0.420)  (  0.385,   0.337,   0.420)  ( 0.00,  0.00,  0.00)
166:     torsion ( -1.909,   1.279,   0.487)  ( -1.909,   1.279,   0.487)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.246,  -0.685,   1.314)  (  0.246,  -0.685,   1.314)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 53       ( 15.405,  -4.653,   1.433)  ( 15.399,  -4.646,   1.450)  ( 0.04,  0.14,  1.21)
166:     bond    (  1.222, -10.271,   1.446)  (  1.222, -10.266,   1.446)  ( 0.00,  0.05,  0.00)
166:     angle   (  5.790,   0.964,   1.949)  (  5.790,   0.964,   1.949)  ( 0.01,  0.00,  0.01)
166:     strbnd  (  0.388,  -1.593,   0.291)  (  0.388,  -1.593,   0.291)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.646,  -0.155,  -1.646)  (  0.647,  -0.155,  -1.645)  ( 0.00,  0.00,  0.01)
166:     oop     (  0.061,  -0.014,  -0.154)  (  0.054,  -0.013,  -0.138)  ( 0.04,  0.00,  0.26)
166:     vdw     (  4.608,   1.041,   2.666)  (  4.609,   1.041,   2.666)  ( 0.00,  0.00,  0.00)
166:     electro (  2.690,   5.376,  -3.118)  (  2.690,   5.375,  -3.118)  ( 0.00,  0.00,  0.00)
166: 54       ( -7.250, -11.027,  -1.781)  ( -7.249, -11.024,  -1.781)  ( 0.01,  0.03,  0.03)
166:     bond    ( -4.260, -12.234,  -0.605)  ( -4.260, -12.231,  -0.605)  ( 0.01,  0.02,  0.00)
166:     angle   ( -3.795,   1.395,  -1.482)  ( -3.795,   1.395,  -1.482)  ( 0.01,  0.01,  0.03)
166:     strbnd  ( -1.388,  -0.259,  -0.495)  ( -1.388,  -0.259,  -0.495)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.002,  -0.000,  -0.006)  (  0.002,  -0.000,  -0.006)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.191,   0.071,   0.806)  (  2.191,   0.071,   0.806)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 55       (-10.238,   6.128,   6.355)  (-10.237,   6.129,   6.357)  ( 0.01,  0.02,  0.02)
166:     bond    ( -7.660,   6.780,   8.104)  ( -7.659,   6.781,   8.105)  ( 0.01,  0.01,  0.01)
166:     angle   ( -3.786,  -2.269,  -1.680)  ( -3.786,  -2.268,  -1.680)  ( 0.01,  0.01,  0.02)
166:     strbnd  ( -1.833,   0.486,   0.087)  ( -1.833,   0.486,   0.087)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  3.040,   1.129,  -0.155)  (  3.040,   1.129,  -0.155)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 56       ( -3.327,   4.630, -12.310)  ( -3.326,   4.631, -12.307)  ( 0.02,  0.02,  0.02)
166:     bond    ( -0.179,   5.185, -12.000)  ( -0.178,   5.185, -11.998)  ( 0.00,  0.01,  0.02)
166:     angle   ( -3.994,  -2.155,  -0.872)  ( -3.993,  -2.155,  -0.872)  ( 0.01,  0.02,  0.01)
166:     strbnd  ( -1.307,   0.375,  -1.326)  ( -1.307,   0.375,  -1.326)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.002,   0.012,   0.005)  ( -0.002,   0.012,   0.005)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  2.154,   1.213,   1.884)  (  2.154,   1.213,   1.884)  ( 0.00,  0.00,  0.00)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e33_fpp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e34_ed1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e37_ed5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e4a_qix.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e4e_4pz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e51_n35.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e62_5b1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e63_5b2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e64_5b3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e65_xxz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e67_bvf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e68_at6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e6i_lz1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e6k_abh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e6l_a11.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e6n_as3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e6o_a55.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e6t_1a2.sdf
177: # Testing iterators...  
177: ok 1
177: ok 2
177: ok 3
177: ok 4
177: ok 5
177: ok 6
177: ok 7
177: ok 8
177: ok 9
177: ok 10
177: ok 11
177: ok 12
177: ok 13
177: ok 14
177: ok 15
177: ok 16
177: ok 17
177: ok 18
177: ok 19
177: ok 20
177: ok 21
177: ok 22
177: ok 23
177: ok 24
177: ok 25
177: ok 26
177: ok 27
177: ok 28
177: ok 29
177: ok 30
177: ok 31
177: ok 32
177: ok 33
177: ok 34
177: ok 35
177: ok 36
177: ok 37
177: ok 38
177: ok 39
177: ok 40
177: ok 41
177: ok 42
177: ok 43
177: ok 44
177: ok 45
177: ok 46
177: ok 47
177: ok 48
177: ok 49
177: ok 50
177: ok 51
177: ok 52
177: ok 53
177: ok 54
177: ok 55
177: ok 56
177: ok 57
177: ok 58
177: ok 59
177: ok 60
177: ok 61
177: ok 62
177: ok 63
177: ok 64
177: ok 65
177: ok 66
177: ok 67
177: ok 68
177: ok 69
177: ok 70
177: ok 71
177: ok 72
177: ok 73
177: ok 74
177: ok 75
177: ok 76
177: ok 77
177: ok 78
177: ok 79
177: ok 80
177: ok 81
177: ok 82
177: ok 83
177: ok 84
177: ok 85
177: ok 86
177: ok 87
177: ok 88
177: ok 89
177: ok 90
177: ok 91
177: ok 92
177: ok 93
177: ok 94
177: ok 95
177: ok 96
177: ok 97
177: ok 98
177: ok 99
177: ok 100
177: ok 101
177: ok 102
177: ok 103
177: ok 104
177: ok 105
177: ok 106
177: ok 107
177: ok 108
177: ok 109
177: ok 110
177: ok 111
177: ok 112
177: ok 113
177: ok 114
177: ok 115
177: ok 116
177: ok 117
177: ok 118
177: ok 119
177: ok 120
177: ok 121
177: ok 122
177: ok 123
177: ok 124
177: ok 125
177: ok 126
177: ok 127
177: ok 128
177: ok 129
177: ok 130
177: ok 131
177: ok 132
177: ok 133
177: ok 134
177: ok 135
177: ok 136
177: ok 137
177: ok 138
177: ok 139
177: ok 140
177: ok 141
177: ok 142
177: ok 143
177: ok 144
177: ok 145
177: ok 146
177: ok 147
177: ok 148
177: ok 149
177: ok 150
177: ok 151
177: ok 152
177: ok 153
177: ok 154
177: ok 155
177: ok 156
177: ok 157
177: ok 158
177: ok 159
177: ok 160
177: ok 161
177: ok 162
177: ok 163
177: ok 164
177: ok 165
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177: ok 1126
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177: ok 1136
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177: ok 1139
177: ok 1140
177: ok 1141
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177: ok 1143
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177: ok 1145
177: ok 1146
177: ok 1147
177: ok 1148
177: ok 1149
177: ok 1150
177: ok 1151
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e6y_cw1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e7b_e7b.sdf
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166: 60       (  9.776,  -8.215,   3.975)  (  9.777,  -8.214,   3.976)  ( 0.02,  0.02,  0.02)
166:     bond    ( 11.330,  -9.354,   4.398)  ( 11.332,  -9.353,   4.398)  ( 0.01,  0.01,  0.01)
166:     angle   ( -0.016,   0.054,   0.154)  ( -0.015,   0.054,   0.155)  ( 0.00,  0.00,  0.01)
166:     strbnd  ( -0.988,   0.483,  -0.237)  ( -0.988,   0.483,  -0.237)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.315,  -0.335,   0.099)  ( -0.315,  -0.335,   0.099)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.236,   0.937,  -0.438)  ( -0.236,   0.937,  -0.438)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 61       ( -1.361,  -1.860,  12.613)  ( -1.360,  -1.859,  12.616)  ( 0.04,  0.04,  0.02)
166:     bond    ( -1.242,  -3.974,  13.096)  ( -1.242,  -3.974,  13.099)  ( 0.01,  0.01,  0.02)
166:     angle   ( -0.493,   2.159,   0.609)  ( -0.492,   2.160,   0.609)  ( 0.02,  0.02,  0.00)
166:     strbnd  (  0.058,   0.509,  -0.577)  (  0.058,   0.509,  -0.577)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.242,  -0.008,   0.020)  (  0.242,  -0.008,   0.020)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.075,  -0.546,  -0.535)  (  0.075,  -0.546,  -0.535)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 62       (  9.949,   7.205,  -0.655)  (  9.951,   7.206,  -0.654)  ( 0.02,  0.02,  0.04)
166:     bond    ( 11.359,   7.334,  -1.037)  ( 11.361,   7.335,  -1.037)  ( 0.02,  0.01,  0.01)
166:     angle   ( -0.599,   1.148,   1.564)  ( -0.599,   1.148,   1.564)  ( 0.01,  0.03,  0.03)
166:     strbnd  ( -0.498,  -0.036,   0.239)  ( -0.498,  -0.036,   0.239)  ( 0.00,  0.00,  0.00)
166:     torsion (  0.089,  -0.116,   0.153)  (  0.089,  -0.116,   0.153)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     ( -0.402,  -1.125,  -1.573)  ( -0.402,  -1.125,  -1.573)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: 63       ( -9.227,   7.918,  -3.842)  ( -9.225,   7.919,  -3.841)  ( 0.02,  0.02,  0.02)
166:     bond    (-10.234,   7.920,  -2.677)  (-10.232,   7.921,  -2.677)  ( 0.02,  0.01,  0.01)
166:     angle   (  0.410,   1.448,   2.720)  (  0.410,   1.449,   2.720)  ( 0.01,  0.02,  0.02)
166:     strbnd  (  0.495,  -0.112,   0.334)  (  0.495,  -0.112,   0.334)  ( 0.00,  0.00,  0.00)
166:     torsion ( -0.316,  -0.287,   0.358)  ( -0.316,  -0.287,   0.358)  ( 0.00,  0.00,  0.00)
166:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166:     vdw     (  0.419,  -1.051,  -4.577)  (  0.419,  -1.051,  -4.577)  ( 0.00,  0.00,  0.00)
166:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
166: ok 36 # gradients 
177: ok 1160
177: ok 1161
177: ok 1162
177: ok 1163
177: ok 1164
177: ok 1165
177: ok 1166
177: ok 1167
177: ok 1168
177: ok 1169
177: ok 1170
177: ok 1171
177: ok 1172
177: ok 1173
177: ok 1174
177: ok 1175
177: ok 1176
177: ok 1177
177: ok 1178
177: ok 1179
177: ok 1180
177: ok 1181
177: ok 1182
177: ok 1183
177: ok 1184
177: ok 1185
177: ok 1186
177: ok 1187
177: ok 1188
177: ok 1189
177: ok 1190
177: ok 1191
177: ok 1192
177: ok 1193
177: ok 1194
177: ok 1195
177: ok 1196
177: ok 1197
177: ok 1198
177: ok 1199
177: ok 1200
177: ok 1201
177: ok 1202
177: ok 1203
177: ok 1204
177: ok 1205
177: ok 1206
177: ok 1207
177: ok 1208
177: ok 1209
177: ok 1210
177: ok 1211
177: ok 1212
177: ok 1213
177: ok 1214
177: ok 1215
177: ok 1216
177: ok 1217
177: ok 1218
177: ok 1219
177: ok 1220
177: ok 1221
177: ok 1222
177: ok 1223
177: ok 1224
177: ok 1225
177: ok 1226
177: ok 1227
177: ok 1228
177: ok 1229
177: ok 1230
177: ok 1231
177: ok 1232
177: ok 1233
177: ok 1234
177: ok 1235
177: ok 1236
177: ok 1237
177: ok 1238
177: ok 1239
177: ok 1240
177: ok 1241
177: ok 1242
177: ok 1243
177: ok 1244
177: ok 1245
177: ok 1246
177: ok 1247
177: ok 1248
177: ok 1249
177: ok 1250
177: ok 1251
177: ok 1252
177: ok 1253
177: ok 1254
177: ok 1255
177: ok 1256
177: ok 1257
177: ok 1258
177: ok 1259
177: ok 1260
177: ok 1261
177: ok 1262
177: ok 1263
177: ok 1264
177: ok 1265
177: ok 1266
177: ok 1267
177: ok 1268
177: ok 1269
177: ok 1270
177: ok 1271
177: ok 1272
177: ok 1273
177: ok 1274
177: ok 1275
177: ok 1276
177: ok 1277
177: ok 1278
177: ok 1279
177: ok 1280
177: ok 1281
177: ok 1282
177: ok 1283
177: ok 1284
177: ok 1285
177: ok 1286
177: ok 1287
177: ok 1288
177: ok 1289
177: ok 1290
177: ok 1291
177: ok 1292
177: ok 1293
177: ok 1294
177: ok 1295
177: ok 1296
177: ok 1297
177: ok 1298
177: ok 1299
177: ok 1300
177: ok 1301
177: ok 1302
177: ok 1303
177: ok 1304
177: ok 1305
177: ok 1306
177: ok 1307
177: ok 1308
177: ok 1309
177: ok 1310
177: ok 1311
177: ok 1312
177: ok 1313
177: ok 1314
177: ok 1315
177: ok 1316
177: ok 1317
177: ok 1318
177: ok 1319
177: ok 1320
177: ok 1321
177: ok 1322
177: ok 1323
177: ok 1324
177: ok 1325
177: ok 1326
177: ok 1327
177: ok 1328
177: ok 1329
177: ok 1330
177: ok 1331
177: ok 1332
177: ok 1333
177: ok 1334
177: ok 1335
177: ok 1336
177: ok 1337
177: ok 1338
177: ok 1339
177: ok 1340
177: ok 1341
177: ok 1342
177: 1..1342
171/208 Test #166: test_ffmmff94_3 ..................   Passed    1.33 sec
test 179
        Start 179: test_math_1
179: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "math" "1"
179: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
179: Environment variables: 
179:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
179:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
179: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e7c_866.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e7i_b2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e7m_at2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e7o_35f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e7t_b14.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e7v_dzo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e80_hs2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e87_g95.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e8c_g96.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e8e_g98.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e8n_vra.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e8r_615.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e92_g6a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e9i_xah.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e9s_ttt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3e9y_1ms.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ea4_2sm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eah_327.sdf
170:     angle   ( -1.405,  90.865,  -2.095)  ( -1.405,  90.868,  -2.094)  ( 0.03,  0.00,  0.07)
170:     torsion ( -1.193,   0.324,  -2.342)  ( -1.193,   0.324,  -2.343)  ( 0.01,  0.00,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.486,  -4.526,   1.966)  ( -0.486,  -4.526,   1.966)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       ( 29.339,  28.487, -18.032)  ( 29.341,  28.492, -18.020)  ( 0.01,  0.02,  0.07)
170:     bond    (  0.383,   0.838,   1.790)  (  0.383,   0.841,   1.801)  ( 0.02,  0.20,  0.61)
170:     angle   ( 32.234,  27.224, -19.575)  ( 32.235,  27.226, -19.574)  ( 0.01,  0.01,  0.00)
170:     torsion ( -2.678,   1.270,  -0.022)  ( -2.679,   1.269,  -0.022)  ( 0.02,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.599,  -0.845,  -0.224)  ( -0.599,  -0.845,  -0.224)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       ( 77.507,  51.153,  -0.184)  ( 77.512,  51.160,  -0.179)  ( 0.01,  0.01,  0.09)
170:     bond    (  0.256,  -0.376,   0.294)  (  0.259,  -0.370,   0.298)  ( 0.08,  0.24,  0.12)
170:     angle   ( 84.291,  51.889,  -9.001)  ( 84.293,  51.890,  -9.000)  ( 0.00,  0.00,  0.01)
170:     torsion ( -4.380,   2.836,   7.322)  ( -4.381,   2.836,   7.322)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -2.659,  -3.197,   1.201)  ( -2.659,  -3.197,   1.201)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 16 # gradients 
170: ok 17 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (298.150,  97.504, -27.328)  (298.201,  97.544, -27.307)  ( 0.02,  0.04,  0.08)
170:     bond    (270.148,  57.230, -74.029)  (270.176,  57.253, -74.018)  ( 0.01,  0.04,  0.01)
170:     angle   ( -0.641,   0.285,  -0.163)  ( -0.629,   0.299,  -0.154)  ( 0.77,  0.40,  0.14)
170:     torsion ( -0.291,   0.285,   0.476)  ( -0.286,   0.290,   0.487)  ( 0.15,  0.15,  0.51)
170:     oop     ( -0.005,   0.008,   0.016)  (  0.000,   0.003,   0.007)  ( 0.00,  0.00,  0.01)
170:     vdw     ( 28.939,  39.697,  46.371)  ( 28.940,  39.698,  46.372)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       ( -0.049, 281.242, -143.091)  ( -0.000, 281.292, -143.058)  ( 0.24,  0.02,  0.02)
170:     bond    ( -0.026, 223.722, -177.596)  (  0.000, 223.752, -177.591)  ( 0.07,  0.01,  0.00)
170:     angle   ( -0.016,   0.102,  -0.415)  ( -0.000,   0.115,  -0.410)  ( 0.03,  0.14,  0.23)
170:     torsion ( -0.005,  -0.107,  -0.352)  (  0.000,  -0.104,  -0.338)  ( 0.00,  0.03,  0.48)
170:     oop     ( -0.000,  -0.006,  -0.013)  (  0.000,  -0.004,  -0.005)  ( 0.00,  0.00,  0.01)
170:     vdw     ( -0.002,  57.531,  35.285)  ( -0.000,  57.532,  35.285)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       ( -0.049, -281.337, -143.091)  (  0.000, -281.292, -143.058)  ( 0.24,  0.02,  0.02)
170:     bond    ( -0.026, -223.783, -177.596)  (  0.000, -223.752, -177.591)  ( 0.07,  0.01,  0.00)
170:     angle   ( -0.016,  -0.129,  -0.415)  ( -0.000,  -0.115,  -0.410)  ( 0.03,  0.17,  0.23)
170:     torsion ( -0.005,   0.101,  -0.352)  (  0.000,   0.104,  -0.338)  ( 0.00,  0.03,  0.48)
170:     oop     ( -0.000,   0.006,  -0.013)  (  0.000,   0.004,  -0.005)  ( 0.00,  0.00,  0.01)
170:     vdw     ( -0.002, -57.533,  35.285)  ( -0.000, -57.532,  35.285)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       (298.150, -97.594, -27.328)  (298.201, -97.544, -27.307)  ( 0.02,  0.05,  0.08)
170:     bond    (270.148, -57.277, -74.029)  (270.176, -57.253, -74.018)  ( 0.01,  0.04,  0.01)
170:     angle   ( -0.641,  -0.313,  -0.163)  ( -0.629,  -0.299,  -0.154)  ( 0.77,  0.44,  0.14)
170:     torsion ( -0.291,  -0.295,   0.476)  ( -0.286,  -0.290,   0.487)  ( 0.15,  0.16,  0.51)
170:     oop     ( -0.005,  -0.008,   0.016)  (  0.000,  -0.003,   0.007)  ( 0.00,  0.00,  0.01)
170:     vdw     ( 28.939, -39.700,  46.371)  ( 28.940, -39.698,  46.372)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (-156.771, 186.884, -202.167)  (-156.738, 186.928, -202.126)  ( 0.02,  0.02,  0.02)
170:     bond    (-92.784, 168.051, -212.764)  (-92.764, 168.078, -212.748)  ( 0.02,  0.02,  0.01)
170:     angle   ( -0.061,   0.692,   0.134)  ( -0.050,   0.706,   0.143)  ( 0.07,  0.99,  0.12)
170:     torsion (  0.267,   0.221,  -0.320)  (  0.273,   0.226,  -0.310)  ( 0.16,  0.11,  0.32)
170:     oop     (  0.007,   0.003,  -0.009)  (  0.003,  -0.001,  -0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     (-64.201,  17.918,  10.792)  (-64.200,  17.919,  10.792)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (-156.771, -186.980, -202.167)  (-156.738, -186.928, -202.126)  ( 0.02,  0.03,  0.02)
170:     bond    (-92.784, -168.105, -212.764)  (-92.764, -168.078, -212.748)  ( 0.02,  0.02,  0.01)
170:     angle   ( -0.061,  -0.721,   0.134)  ( -0.050,  -0.706,   0.143)  ( 0.07,  1.04,  0.12)
170:     torsion (  0.267,  -0.231,  -0.320)  (  0.273,  -0.226,  -0.310)  ( 0.16,  0.12,  0.32)
170:     oop     (  0.007,  -0.003,  -0.009)  (  0.003,   0.001,  -0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     (-64.201, -17.920,  10.792)  (-64.200, -17.919,  10.792)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       (-298.242,  97.504, -27.328)  (-298.201,  97.544, -27.307)  ( 0.01,  0.04,  0.08)
170:     bond    (-270.205,  57.230, -74.029)  (-270.176,  57.253, -74.018)  ( 0.01,  0.04,  0.01)
170:     angle   (  0.617,   0.285,  -0.163)  (  0.629,   0.299,  -0.154)  ( 0.74,  0.40,  0.14)
170:     torsion (  0.281,   0.285,   0.476)  (  0.286,   0.290,   0.487)  ( 0.14,  0.15,  0.51)
170:     oop     (  0.005,   0.008,   0.016)  ( -0.000,   0.003,   0.007)  ( 0.00,  0.00,  0.01)
170:     vdw     (-28.940,  39.697,  46.371)  (-28.940,  39.698,  46.372)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (-298.242, -97.594, -27.328)  (-298.201, -97.544, -27.307)  ( 0.01,  0.05,  0.08)
170:     bond    (-270.205, -57.277, -74.029)  (-270.176, -57.253, -74.018)  ( 0.01,  0.04,  0.01)
170:     angle   (  0.617,  -0.313,  -0.163)  (  0.629,  -0.299,  -0.154)  ( 0.74,  0.44,  0.14)
170:     torsion (  0.281,  -0.295,   0.476)  (  0.286,  -0.290,   0.487)  ( 0.14,  0.16,  0.51)
170:     oop     (  0.005,  -0.008,   0.016)  ( -0.000,  -0.003,   0.007)  ( 0.00,  0.00,  0.01)
170:     vdw     (-28.940, -39.700,  46.371)  (-28.940, -39.698,  46.372)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (186.884, 202.096, 156.695)  (186.928, 202.126, 156.738)  ( 0.02,  0.02,  0.03)
170:     bond    (168.051, 212.732,  92.745)  (168.078, 212.748,  92.764)  ( 0.02,  0.01,  0.02)
170:     angle   (  0.692,  -0.152,   0.038)  (  0.706,  -0.143,   0.050)  ( 0.99,  0.14,  0.04)
170:     torsion (  0.221,   0.300,  -0.279)  (  0.226,   0.310,  -0.273)  ( 0.11,  0.30,  0.17)
170:     oop     (  0.003,   0.008,  -0.008)  ( -0.001,   0.003,  -0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 17.918, -10.793,  64.199)  ( 17.919, -10.792,  64.200)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       ( 27.266, 298.150,  97.504)  ( 27.307, 298.201,  97.544)  ( 0.15,  0.02,  0.04)
170:     bond    ( 74.008, 270.148,  57.230)  ( 74.018, 270.176,  57.253)  ( 0.01,  0.01,  0.04)
170:     angle   (  0.145,  -0.641,   0.285)  (  0.154,  -0.629,   0.299)  ( 0.13,  0.77,  0.40)
170:     torsion ( -0.498,  -0.291,   0.285)  ( -0.487,  -0.286,   0.290)  ( 0.53,  0.15,  0.15)
170:     oop     ( -0.016,  -0.005,   0.008)  ( -0.007,   0.000,   0.003)  ( 0.02,  0.00,  0.00)
168:  1       (  1.436,   0.635,  -0.080)  (  1.441,   0.640,  -0.074)  ( 0.35,  0.34,  0.05)
168:     bond    (  0.905,   2.623,   8.120)  (  0.909,   2.627,   8.124)  ( 0.37,  0.15,  0.05)
168:     angle   (  7.385,   0.772,  -9.892)  (  7.388,   0.774,  -9.889)  ( 0.03,  0.16,  0.02)
168:     strbnd  (  0.181,   1.490,  -0.840)  (  0.180,   1.489,  -0.841)  ( 0.02,  0.06,  0.05)
168:     torsion ( -3.658,  -1.057,   2.616)  ( -3.658,  -1.057,   2.616)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.221,  -3.068,  -0.045)  ( -3.221,  -3.068,  -0.045)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.156,  -0.125,  -0.039)  ( -0.156,  -0.125,  -0.039)  ( 0.00,  0.00,  0.00)
168:  2       (  0.736,   0.034,   0.004)  (  0.742,   0.039,   0.010)  ( 0.41,  0.02,  0.00)
168:     bond    ( 11.123,  -1.351,  -2.048)  ( 11.127,  -1.347,  -2.044)  ( 0.04,  0.29,  0.21)
168:     angle   ( -8.045,   1.278,   9.737)  ( -8.043,   1.280,   9.739)  ( 0.03,  0.16,  0.02)
168:     strbnd  (  0.965,  -2.280,   1.631)  (  0.965,  -2.281,   1.630)  ( 0.07,  0.04,  0.02)
168:     torsion (  4.294,   0.736,  -3.479)  (  4.294,   0.736,  -3.478)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -7.601,   1.652,  -5.836)  ( -7.601,   1.652,  -5.836)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  3       (  0.562,   0.076,  -0.092)  (  0.566,   0.081,  -0.087)  ( 0.27,  0.04,  0.05)
168:     bond    (  6.097,  -9.677,  17.390)  (  6.101,  -9.673,  17.394)  ( 0.06,  0.04,  0.02)
168:     angle   ( -1.378,   4.252, -13.110)  ( -1.376,   4.254, -13.108)  ( 0.15,  0.05,  0.02)
168:     strbnd  (  0.257,   0.181,  -0.552)  (  0.256,   0.180,  -0.552)  ( 0.03,  0.01,  0.03)
168:     torsion ( -0.355,   2.764,   0.802)  ( -0.355,   2.764,   0.802)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -4.059,   2.557,  -4.623)  ( -4.059,   2.557,  -4.623)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  4       (  1.512,   0.156,  -0.055)  (  1.517,   0.176,   0.019)  ( 0.34,  0.31,  0.40)
168:     bond    (  8.642,  10.885,  -8.146)  (  8.646,  10.889,  -8.142)  ( 0.04,  0.04,  0.05)
168:     angle   ( -7.598,  -8.113,  12.883)  ( -7.596,  -8.111,  12.884)  ( 0.03,  0.02,  0.01)
168:     strbnd  ( -1.384,   1.903,  -1.050)  ( -1.385,   1.903,  -1.050)  ( 0.08,  0.03,  0.05)
168:     torsion (  3.685,   2.177,  -4.847)  (  3.685,   2.177,  -4.846)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.002,  -0.088,  -0.446)  ( -0.002,  -0.075,  -0.377)  ( 0.00,  0.12,  3.03)
168:     vdw     ( -1.895,  -6.707,   1.430)  ( -1.894,  -6.706,   1.430)  ( 0.00,  0.00,  0.00)
168:     electro (  0.063,   0.099,   0.121)  (  0.063,   0.099,   0.121)  ( 0.00,  0.00,  0.00)
168:  5       ( -8.945,   4.312,  -0.274)  ( -8.934,   4.277,  -0.481)  ( 0.12,  0.80,  5.66)
168:     bond    (-12.705,  14.137,  -1.636)  (-12.697,  14.141,  -1.636)  ( 0.06,  0.03,  0.02)
168:     angle   (  1.253,   3.126,  -9.477)  (  1.254,   3.128,  -9.476)  ( 0.12,  0.05,  0.01)
168:     strbnd  (  1.419,  -3.117,   0.027)  (  1.419,  -3.117,   0.027)  ( 0.04,  0.02,  0.00)
168:     torsion ( -0.255,   1.581,   7.797)  ( -0.255,   1.581,   7.798)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.011,   0.244,   1.272)  ( -0.008,   0.203,   1.063)  ( 0.00,  0.98, 16.38)
168:     vdw     (  0.999, -11.742,   1.783)  (  0.999, -11.742,   1.783)  ( 0.02,  0.00,  0.00)
168:     electro (  0.355,   0.083,  -0.040)  (  0.355,   0.083,  -0.040)  ( 0.00,  0.00,  0.00)
168:  6       (  8.712,  -4.725,   1.481)  (  8.721,  -4.712,   1.502)  ( 0.11,  0.28,  1.43)
168:     bond    (  3.884,   4.853,  -0.204)  (  3.892,   4.858,  -0.204)  ( 0.19,  0.11,  0.01)
168:     angle   (  1.621,  -0.921,   2.154)  (  1.622,  -0.919,   2.155)  ( 0.08,  0.16,  0.02)
168:     strbnd  ( -1.690,   1.656,  -0.349)  ( -1.691,   1.655,  -0.349)  ( 0.04,  0.03,  0.00)
168:     torsion ( -0.062,  -0.722,  -2.668)  ( -0.062,  -0.722,  -2.667)  ( 0.00,  0.00,  0.04)
168:     oop     ( -0.011,  -0.030,  -0.074)  ( -0.010,  -0.023,  -0.055)  ( 0.00,  0.02,  0.14)
168:     vdw     (  4.938,  -9.590,   2.718)  (  4.938,  -9.589,   2.718)  ( 0.00,  0.00,  0.00)
168:     electro (  0.032,   0.028,  -0.096)  (  0.032,   0.028,  -0.096)  ( 0.00,  0.00,  0.00)
168:  7       ( -1.422,   0.562,  -0.406)  ( -1.418,   0.571,  -0.376)  ( 0.28,  0.47,  1.19)
168:     bond    (-11.282,  11.208,   0.541)  (-11.278,  11.212,   0.545)  ( 0.04,  0.03,  0.24)
168:     angle   (  9.286,  -4.053,  -3.402)  (  9.288,  -4.051,  -3.400)  ( 0.02,  0.05,  0.04)
168:     strbnd  (  0.811,  -0.072,  -0.853)  (  0.810,  -0.073,  -0.854)  ( 0.06,  0.01,  0.03)
168:     torsion ( -1.331,  -0.869,   0.696)  ( -1.331,  -0.869,   0.696)  ( 0.00,  0.00,  0.02)
168:     oop     (  0.009,  -0.020,  -0.131)  (  0.007,  -0.017,  -0.108)  ( 0.00,  0.01,  0.31)
168:     vdw     (  0.881,  -5.592,   2.703)  (  0.881,  -5.592,   2.703)  ( 0.01,  0.00,  0.00)
168:     electro (  0.204,  -0.039,   0.041)  (  0.204,  -0.039,   0.041)  ( 0.00,  0.00,  0.00)
168:  8       (  0.736,   0.178,   0.067)  (  0.740,   0.183,   0.072)  ( 0.35,  0.09,  0.04)
168:     bond    ( -1.261,  -2.729, -19.147)  ( -1.258,  -2.725, -19.143)  ( 0.27,  0.13,  0.02)
168:     angle   ( -9.942,   7.503,  26.405)  ( -9.940,   7.505,  26.407)  ( 0.02,  0.03,  0.01)
168:     strbnd  (  4.138,   2.113,   0.872)  (  4.137,   2.112,   0.871)  ( 0.02,  0.04,  0.03)
168:     torsion (  2.267,  -2.809,  -7.166)  (  2.267,  -2.809,  -7.166)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  5.533,  -3.900,  -0.897)  (  5.533,  -3.899,  -0.897)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  9       (  0.364,   0.232,  -0.008)  (  0.369,   0.237,  -0.002)  ( 0.20,  0.11,  0.00)
168:     bond    ( -6.983,  11.163,   5.799)  ( -6.980,  11.166,   5.803)  ( 0.06,  0.03,  0.07)
168:     angle   (  6.589,   0.564, -10.864)  (  6.592,   0.566, -10.862)  ( 0.04,  0.12,  0.02)
168:     strbnd  ( -4.331,  -9.696,   0.323)  ( -4.332,  -9.697,   0.323)  ( 0.02,  0.01,  0.01)
168:     torsion (  0.192,   1.536,   1.287)  (  0.192,   1.536,   1.287)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.897,  -3.334,   3.446)  (  4.897,  -3.334,   3.447)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 10       (  0.279,   0.320,   0.215)  (  0.284,   0.326,   0.221)  ( 0.13,  0.18,  0.13)
168:     bond    (  3.926,  16.947,  -8.842)  (  3.929,  16.951,  -8.838)  ( 0.09,  0.02,  0.05)
168:     angle   ( -6.642,  -8.727,   8.491)  ( -6.640,  -8.725,   8.493)  ( 0.03,  0.02,  0.02)
168:     strbnd  ( -1.913,  -4.925,   2.830)  ( -1.914,  -4.925,   2.830)  ( 0.05,  0.01,  0.02)
168:     torsion ( -1.013,  -0.173,  -1.195)  ( -1.013,  -0.173,  -1.195)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  5.922,  -2.802,  -1.070)  (  5.922,  -2.802,  -1.070)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 11       (  0.045,   0.535,   0.496)  (  0.051,   0.539,   0.502)  ( 0.03,  0.24,  0.29)
168:     bond    (-22.008,  -2.471,  -8.891)  (-22.004,  -2.468,  -8.886)  ( 0.02,  0.14,  0.05)
168:     angle   ( 15.128,   5.024,   5.636)  ( 15.130,   5.026,   5.638)  ( 0.01,  0.04,  0.03)
168:     strbnd  (  6.334,   1.549,   3.089)  (  6.333,   1.548,   3.089)  ( 0.01,  0.06,  0.02)
168:     torsion ( -1.616,   1.448,   1.166)  ( -1.616,   1.448,   1.166)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.209,  -5.015,  -0.504)  (  2.209,  -5.015,  -0.504)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 12       (  0.018,  -0.028,  -0.133)  (  0.022,  -0.023,  -0.128)  ( 0.01,  0.01,  0.07)
172/208 Test #177: test_iterators_1 .................   Passed    0.17 sec
test 180
        Start 180: test_math_2
180: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "math" "2"
180: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
180: Environment variables: 
180:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
180:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
180: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eai_328.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eau_pdn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eax_lzp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eb1_lzq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ebd_329.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ebf_332.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ebi_bey.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ebs_n4e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ecg_065.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ecn_ibm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ed1_ga3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3edz_550.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3eeo_pdi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3efj_mt3.sdf
179: # math: repeating each test 1000 times
179: # Testing MMFF94 Force Field...
179: # math: entering testBasics_vector3
179: ok 1
179: ok 2
179: ok 3
179: ok 4
179: ok 5
179: ok 6
179: ok 7
179: ok 8
179: ok 9
179: ok 10
179: ok 11
179: ok 12
179: ok 13
179: ok 14
179: ok 15
179: ok 16
179: ok 17
179: ok 18
179: ok 19
179: ok 20
179: ok 21
179: ok 22
179: ok 23
179: ok 24
179: ok 25
179: ok 26
179: ok 27
179: ok 28
179: ok 29
179: ok 30
179: ok 31
179: ok 32
179: ok 33
179: ok 34
179: ok 35
179: ok 36
179: ok 37
179: ok 38
179: ok 39
179: ok 40
179: ok 41
179: ok 42
179: ok 43
179: ok 44
179: ok 45
179: ok 46
179: ok 47
179: ok 48
179: ok 49
179: ok 50
179: ok 51
179: ok 52
179: ok 53
179: ok 54
179: ok 55
179: ok 56
179: ok 57
179: ok 58
179: ok 59
179: ok 60
179: ok 61
179: ok 62
179: ok 63
179: ok 64
179: ok 65
179: ok 66
179: ok 67
179: ok 68
179: ok 69
179: ok 70
179: ok 71
179: ok 72
179: ok 73
179: ok 74
179: ok 75
179: ok 76
179: ok 77
179: ok 78
179: ok 79
179: ok 80
179: ok 81
179: ok 82
179: ok 83
179: ok 84
179: ok 85
179: ok 86
179: ok 87
179: ok 88
179: ok 89
179: ok 90
179: ok 91
179: ok 92
179: ok 93
179: ok 94
179: ok 95
179: ok 96
179: ok 97
179: ok 98
179: ok 99
179: ok 100
179: ok 101
179: ok 102
179: ok 103
179: ok 104
179: ok 105
179: ok 106
179: ok 107
179: ok 108
179: ok 109
179: ok 110
179: ok 111
179: ok 112
179: ok 113
179: ok 114
179: ok 115
179: ok 116
179: ok 117
179: ok 118
179: ok 119
179: ok 120
179: ok 121
179: ok 122
179: ok 123
179: ok 124
179: ok 125
179: ok 126
179: ok 127
179: ok 128
179: ok 129
179: ok 130
179: ok 131
179: ok 132
179: ok 133
179: ok 134
179: ok 135
179: ok 136
179: ok 137
179: ok 138
179: ok 139
179: ok 140
179: ok 141
179: ok 142
179: ok 143
179: ok 144
179: ok 145
179: ok 146
179: ok 147
179: ok 148
179: ok 149
179: ok 150
179: ok 151
179: ok 152
179: ok 153
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179: ok 155
179: ok 156
179: ok 157
179: ok 158
179: ok 159
179: ok 160
179: ok 161
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179: ok 163
179: ok 164
179: ok 165
179: ok 166
179: ok 167
179: ok 168
179: ok 169
179: ok 170
179: ok 171
179: ok 172
179: ok 173
179: ok 174
179: ok 175
179: ok 176
179: ok 177
179: ok 178
179: ok 179
179: ok 180
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179: ok 182
179: ok 183
179: ok 184
179: ok 185
179: ok 186
179: ok 187
179: ok 188
179: ok 189
179: ok 190
179: ok 191
179: ok 192
179: ok 193
179: ok 194
179: ok 195
179: ok 196
179: ok 197
179: ok 198
179: ok 199
179: ok 200
179: ok 201
179: ok 202
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179: ok 204
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179: ok 210
179: ok 211
179: ok 212
179: ok 213
179: ok 214
179: ok 215
179: ok 216
179: ok 217
179: ok 218
179: ok 219
179: ok 220
179: ok 221
179: ok 222
179: ok 223
179: ok 224
179: ok 225
179: ok 226
179: ok 227
179: ok 228
179: ok 229
179: ok 230
179: ok 231
179: ok 232
179: ok 233
179: ok 234
179: ok 235
179: ok 236
179: ok 237
179: ok 238
179: ok 239
179: ok 240
179: ok 241
179: ok 242
179: ok 243
179: ok 244
179: ok 245
179: ok 246
179: ok 247
179: ok 248
179: ok 249
179: ok 250
179: ok 251
179: ok 252
179: ok 253
179: ok 254
179: ok 255
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179: ok 257
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179: ok 259
179: ok 260
179: ok 261
179: ok 262
179: ok 263
179: ok 264
179: ok 265
179: ok 266
179: ok 267
179: ok 268
179: ok 269
179: ok 270
179: ok 271
179: ok 272
179: ok 273
179: ok 274
179: ok 275
179: ok 276
179: ok 277
179: ok 278
179: ok 279
179: ok 280
179: ok 281
179: ok 282
179: ok 283
179: ok 284
179: ok 285
179: ok 286
179: ok 287
179: ok 288
179: ok 289
179: ok 290
179: ok 291
179: ok 292
179: ok 293
179: ok 294
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179: ok 296
179: ok 297
179: ok 298
179: ok 299
179: ok 300
179: ok 301
179: ok 302
179: ok 303
179: ok 304
179: ok 305
179: ok 306
179: ok 307
179: ok 308
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179: ok 310
179: ok 311
179: ok 312
179: ok 313
179: ok 314
179: ok 315
179: ok 316
179: ok 317
179: ok 318
179: ok 319
179: ok 320
179: ok 321
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179: ok 323
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179: ok 327
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179: ok 335
179: ok 336
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179: ok 338
179: ok 339
179: ok 340
179: ok 341
179: ok 342
179: ok 343
179: ok 344
179: ok 345
179: ok 346
179: ok 347
179: ok 348
179: ok 349
179: ok 350
179: ok 351
179: ok 352
179: ok 353
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179: ok 356
179: ok 357
179: ok 358
179: ok 359
179: ok 360
179: ok 361
179: ok 362
179: ok 363
179: ok 364
179: ok 365
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179: ok 367
179: ok 368
179: ok 369
179: ok 370
179: ok 371
179: ok 372
179: ok 373
179: ok 374
179: ok 375
179: ok 376
179: ok 377
179: ok 378
179: ok 379
179: ok 380
179: ok 381
179: ok 382
179: ok 383
179: ok 384
179: ok 385
179: ok 386
179: ok 387
179: ok 388
179: ok 389
179: ok 390
179: ok 391
179: ok 392
179: ok 393
179: ok 394
179: ok 395
179: ok 396
179: ok 397
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179: ok 399
179: ok 400
179: ok 401
179: ok 402
179: ok 403
179: ok 404
179: ok 405
179: ok 406
179: ok 407
179: ok 408
179: ok 409
179: ok 410
179: ok 411
179: ok 412
179: ok 413
179: ok 414
179: ok 415
179: ok 416
179: ok 417
179: ok 418
179: ok 419
179: ok 420
179: ok 421
179: ok 422
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179: ok 424
179: ok 425
179: ok 426
179: ok 427
179: ok 428
179: ok 429
179: ok 430
179: ok 431
179: ok 432
179: ok 433
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179: ok 435
179: ok 436
179: ok 437
179: ok 438
179: ok 439
179: ok 440
179: ok 441
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179: ok 443
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179: ok 445
179: ok 446
179: ok 447
179: ok 448
179: ok 449
179: ok 450
179: ok 451
179: ok 452
179: ok 453
179: ok 454
179: ok 455
179: ok 456
179: ok 457
179: ok 458
179: ok 459
179: ok 460
179: ok 461
179: ok 462
179: ok 463
179: ok 464
179: ok 465
179: ok 466
179: ok 467
179: ok 468
179: ok 469
179: ok 470
179: ok 471
179: ok 472
179: ok 473
179: ok 474
179: ok 475
179: ok 476
179: ok 477
179: ok 478
179: ok 479
179: ok 480
179: ok 481
179: ok 482
179: ok 483
179: ok 484
179: ok 485
179: ok 486
179: ok 487
179: ok 488
179: ok 489
179: ok 490
179: ok 491
179: ok 492
179: ok 493
179: ok 494
179: ok 495
179: ok 496
179: ok 497
179: ok 498
179: ok 499
179: ok 500
179: ok 501
179: ok 502
179: ok 503
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179: ok 505
179: ok 506
179: ok 507
179: ok 508
179: ok 509
179: ok 510
179: ok 511
179: ok 512
179: ok 513
179: ok 514
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179: ok 517
179: ok 518
179: ok 519
179: ok 520
179: ok 521
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179: ok 523
179: ok 524
179: ok 525
179: ok 526
179: ok 527
179: ok 528
179: ok 529
179: ok 530
179: ok 531
179: ok 532
179: ok 533
179: ok 534
179: ok 535
179: ok 536
179: ok 537
179: ok 538
179: ok 539
179: ok 540
179: ok 541
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179: ok 543
179: ok 544
179: ok 545
179: ok 546
179: ok 547
179: ok 548
179: ok 549
179: ok 550
179: ok 551
179: ok 552
179: ok 553
179: ok 554
179: ok 555
179: ok 556
179: ok 557
179: ok 558
179: ok 559
179: ok 560
179: ok 561
179: ok 562
179: ok 563
179: ok 564
179: ok 565
179: ok 566
179: ok 567
179: ok 568
179: ok 569
179: ok 570
179: ok 571
179: ok 572
179: ok 573
179: ok 574
179: ok 575
179: ok 576
179: ok 577
179: ok 578
179: ok 579
179: ok 580
179: ok 581
179: ok 582
179: ok 583
179: ok 584
179: ok 585
179: ok 586
179: ok 587
179: ok 588
179: ok 589
179: ok 590
179: ok 591
179: ok 592
179: ok 593
179: ok 594
179: ok 595
179: ok 596
179: ok 597
179: ok 598
179: ok 599
179: ok 600
179: ok 601
179: ok 602
179: ok 603
179: ok 604
179: ok 605
179: ok 606
179: ok 607
179: ok 608
179: ok 609
179: ok 610
179: ok 611
179: ok 612
179: ok 613
179: ok 614
179: ok 615
179: ok 616
179: ok 617
179: ok 618
179: ok 619
179: ok 620
179: ok 621
179: ok 622
179: ok 623
179: ok 624
179: ok 625
179: ok 626
179: ok 627
179: ok 628
179: ok 629
179: ok 630
179: ok 631
179: ok 632
179: ok 633
179: ok 634
179: ok 635
179: ok 636
179: ok 637
179: ok 638
179: ok 639
179: ok 640
179: ok 641
179: ok 642
179: ok 643
179: ok 644
179: ok 645
179: ok 646
179: ok 647
179: ok 648
179: ok 649
179: ok 650
179: ok 651
179: ok 652
179: ok 653
179: ok 654
179: ok 655
179: ok 656
179: ok 657
179: ok 658
179: ok 659
179: ok 660
179: ok 661
179: ok 662
179: ok 663
179: ok 664
179: ok 665
179: ok 666
179: ok 667
179: ok 668
179: ok 669
179: ok 670
179: ok 671
179: ok 672
179: ok 673
179: ok 674
179: ok 675
179: ok 676
179: ok 677
179: ok 678
179: ok 679
179: ok 680
179: ok 681
179: ok 682
179: ok 683
179: ok 684
179: ok 685
179: ok 686
179: ok 687
179: ok 688
179: ok 689
179: ok 690
179: ok 691
179: ok 692
179: ok 693
179: ok 694
179: ok 695
179: ok 696
179: ok 697
179: ok 698
179: ok 699
179: ok 700
179: ok 701
179: ok 702
179: ok 703
179: ok 704
179: ok 705
179: ok 706
179: ok 707
179: ok 708
179: ok 709
179: ok 710
179: ok 711
179: ok 712
179: ok 713
179: ok 714
179: ok 715
179: ok 716
179: ok 717
179: ok 718
179: ok 719
179: ok 720
179: ok 721
179: ok 722
179: ok 723
179: ok 724
179: ok 725
179: ok 726
179: ok 727
179: ok 728
179: ok 729
179: ok 730
179: ok 731
179: ok 732
179: ok 733
179: ok 734
179: ok 735
179: ok 736
179: ok 737
179: ok 738
179: ok 739
179: ok 740
179: ok 741
179: ok 742
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179: ok 745
179: ok 746
179: ok 747
179: ok 748
179: ok 749
179: ok 750
179: ok 751
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179: ok 753
179: ok 754
179: ok 755
179: ok 756
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179: ok 758
179: ok 759
179: ok 760
179: ok 761
179: ok 762
179: ok 763
179: ok 764
179: ok 765
179: ok 766
179: ok 767
179: ok 768
179: ok 769
179: ok 770
179: ok 771
179: ok 772
179: ok 773
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179: ok 776
179: ok 777
179: ok 778
179: ok 779
179: ok 780
179: ok 781
179: ok 782
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179: ok 784
179: ok 785
179: ok 786
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179: ok 788
179: ok 789
179: ok 790
179: ok 791
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179: ok 793
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179: ok 797
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179: ok 799
179: ok 800
179: ok 801
179: ok 802
179: ok 803
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179: ok 805
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179: ok 807
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179: ok 809
179: ok 810
179: ok 811
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179: ok 813
179: ok 814
179: ok 815
179: ok 816
179: ok 817
179: ok 818
179: ok 819
179: ok 820
179: ok 821
179: ok 822
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179: ok 824
179: ok 825
179: ok 826
179: ok 827
179: ok 828
179: ok 829
179: ok 830
179: ok 831
179: ok 832
179: ok 833
179: ok 834
179: ok 835
179: ok 836
179: ok 837
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179: ok 839
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179: ok 841
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179: ok 846
179: ok 847
179: ok 848
179: ok 849
179: ok 850
179: ok 851
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179: ok 853
179: ok 854
179: ok 855
179: ok 856
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179: ok 858
179: ok 859
179: ok 860
179: ok 861
179: ok 862
179: ok 863
179: ok 864
179: ok 865
179: ok 866
179: ok 867
179: ok 868
179: ok 869
179: ok 870
179: ok 871
179: ok 872
179: ok 873
179: ok 874
179: ok 875
179: ok 876
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179: ok 878
179: ok 879
179: ok 880
179: ok 881
179: ok 882
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179: ok 884
179: ok 885
179: ok 886
179: ok 887
179: ok 888
179: ok 889
179: ok 890
179: ok 891
179: ok 892
179: ok 893
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179: ok 895
179: ok 896
179: ok 897
179: ok 898
179: ok 899
179: ok 900
179: ok 901
179: ok 902
179: ok 903
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179: ok 905
179: ok 906
179: ok 907
179: ok 908
179: ok 909
179: ok 910
179: ok 911
179: ok 912
179: ok 913
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179: ok 919
179: ok 920
179: ok 921
179: ok 922
179: ok 923
179: ok 924
179: ok 925
179: ok 926
179: ok 927
179: ok 928
179: ok 929
179: ok 930
179: ok 931
179: ok 932
179: ok 933
179: ok 934
179: ok 935
179: ok 936
179: ok 937
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179: ok 939
179: ok 940
179: ok 941
179: ok 942
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179: ok 946
179: ok 947
179: ok 948
179: ok 949
179: ok 950
179: ok 951
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179: ok 953
179: ok 954
179: ok 955
179: ok 956
179: ok 957
179: ok 958
179: ok 959
179: ok 960
179: ok 961
179: ok 962
179: ok 963
179: ok 964
179: ok 965
179: ok 966
179: ok 967
179: ok 968
179: ok 969
179: ok 970
179: ok 971
179: ok 972
179: ok 973
179: ok 974
179: ok 975
179: ok 976
179: ok 977
179: ok 978
179: ok 979
179: ok 980
179: ok 981
179: ok 982
179: ok 983
179: ok 984
179: ok 985
179: ok 986
179: ok 987
179: ok 988
179: ok 989
179: ok 990
179: ok 991
179: ok 992
179: ok 993
179: ok 994
179: ok 995
179: ok 996
179: ok 997
179: ok 998
179: ok 999
179: ok 1000
179: ok 1001
179: ok 1002
179: ok 1003
179: ok 1004
179: ok 1005
179: ok 1006
179: ok 1007
179: ok 1008
179: ok 1009
179: ok 1010
179: ok 1011
179: ok 1012
179: ok 1013
179: ok 1014
179: ok 1015
179: ok 1016
179: ok 1017
179: ok 1018
179: ok 1019
179: ok 1020
179: ok 1021
179: ok 1022
179: ok 1023
179: ok 1024
179: ok 1025
179: ok 1026
179: ok 1027
179: ok 1028
179: ok 1029
179: ok 1030
179: ok 1031
179: ok 1032
179: ok 1033
179: ok 1034
179: ok 1035
179: ok 1036
179: ok 1037
179: ok 1038
179: ok 1039
179: ok 1040
179: ok 1041
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179: ok 1043
179: ok 1044
179: ok 1045
179: ok 1046
179: ok 1047
179: ok 1048
179: ok 1049
179: ok 1050
179: ok 1051
179: ok 1052
179: ok 1053
179: ok 1054
179: ok 1055
179: ok 1056
179: ok 1057
179: ok 1058
179: ok 1059
179: ok 1060
179: ok 1061
179: ok 1062
179: ok 1063
179: ok 1064
179: ok 1065
179: ok 1066
179: ok 1067
179: ok 1068
179: ok 1069
179: ok 1070
179: ok 1071
179: ok 1072
179: ok 1073
179: ok 1074
179: ok 1075
179: ok 1076
179: ok 1077
179: ok 1078
179: ok 1079
179: ok 1080
179: ok 1081
179: ok 1082
179: ok 1083
179: ok 1084
179: ok 1085
179: ok 1086
179: ok 1087
179: ok 1088
179: ok 1089
179: ok 1090
179: ok 1091
179: ok 1092
179: ok 1093
179: ok 1094
179: ok 1095
179: ok 1096
179: ok 1097
179: ok 1098
179: ok 1099
179: ok 1100
179: ok 1101
179: ok 1102
179: ok 1103
179: ok 1104
179: ok 1105
179: ok 1106
179: ok 1107
179: ok 1108
179: ok 1109
179: ok 1110
179: ok 1111
179: ok 1112
179: ok 1113
179: ok 1114
179: ok 1115
179: ok 1116
179: ok 1117
179: ok 1118
179: ok 1119
179: ok 1120
179: ok 1121
179: ok 1122
179: ok 1123
179: ok 1124
179: ok 1125
179: ok 1126
179: ok 1127
179: ok 1128
179: ok 1129
179: ok 1130
179: ok 1131
179: ok 1132
179: ok 1133
179: ok 1134
179: ok 1135
179: ok 1136
179: ok 1137
179: ok 1138
179: ok 1139
179: ok 1140
179: ok 1141
179: ok 1142
179: ok 1143
179: ok 1144
179: ok 1145
179: ok 1146
179: ok 1147
179: ok 1148
179: ok 1149
179: ok 1150
179: ok 1151
179: ok 1152
179: ok 1153
179: ok 1154
179: ok 1155
179: ok 1156
179: ok 1157
179: ok 1158
179: ok 1159
179: ok 1160
179: ok 1161
179: ok 1162
179: ok 1163
179: ok 1164
179: ok 1165
179: ok 1166
179: ok 1167
179: ok 1168
179: ok 1169
179: ok 1170
179: ok 1171
179: ok 1172
179: ok 1173
179: ok 1174
179: ok 1175
179: ok 1176
179: ok 1177
179: ok 1178
179: ok 1179
179: ok 1180
179: ok 1181
179: ok 1182
179: ok 1183
179: ok 1184
179: ok 1185
179: ok 1186
179: ok 1187
179: ok 1188
179: ok 1189
179: ok 1190
179: ok 1191
179: ok 1192
179: ok 1193
179: ok 1194
179: ok 1195
179: ok 1196
179: ok 1197
179: ok 1198
179: ok 1199
179: ok 1200
179: ok 1201
179: ok 1202
179: ok 1203
179: ok 1204
179: ok 1205
179: ok 1206
179: ok 1207
179: ok 1208
179: ok 1209
179: ok 1210
179: ok 1211
179: ok 1212
179: ok 1213
179: ok 1214
179: ok 1215
179: ok 1216
179: ok 1217
179: ok 1218
179: ok 1219
179: ok 1220
179: ok 1221
179: ok 1222
179: ok 1223
179: ok 1224
179: ok 1225
179: ok 1226
179: ok 1227
179: ok 1228
179: ok 1229
179: ok 1230
179: ok 1231
179: ok 1232
179: ok 1233
179: ok 1234
179: ok 1235
179: ok 1236
179: ok 1237
179: ok 1238
179: ok 1239
179: ok 1240
179: ok 1241
179: ok 1242
179: ok 1243
179: ok 1244
179: ok 1245
179: ok 1246
179: ok 1247
179: ok 1248
179: ok 1249
179: ok 1250
179: ok 1251
179: ok 1252
179: ok 1253
179: ok 1254
179: ok 1255
179: ok 1256
179: ok 1257
179: ok 1258
179: ok 1259
179: ok 1260
179: ok 1261
179: ok 1262
179: ok 1263
179: ok 1264
179: ok 1265
179: ok 1266
179: ok 1267
179: ok 1268
179: ok 1269
179: ok 1270
179: ok 1271
179: ok 1272
179: ok 1273
179: ok 1274
179: ok 1275
179: ok 1276
179: ok 1277
179: ok 1278
179: ok 1279
179: ok 1280
179: ok 1281
179: ok 1282
179: ok 1283
179: ok 1284
179: ok 1285
179: ok 1286
179: ok 1287
179: ok 1288
179: ok 1289
179: ok 1290
179: ok 1291
179: ok 1292
179: ok 1293
179: ok 1294
179: ok 1295
179: ok 1296
179: ok 1297
179: ok 1298
179: ok 1299
179: ok 1300
179: ok 1301
179: ok 1302
179: ok 1303
179: ok 1304
179: ok 1305
179: ok 1306
179: ok 1307
179: ok 1308
179: ok 1309
179: ok 1310
179: ok 1311
179: ok 1312
179: ok 1313
179: ok 1314
179: ok 1315
179: ok 1316
179: ok 1317
179: ok 1318
179: ok 1319
179: ok 1320
179: ok 1321
179: ok 1322
179: ok 1323
179: ok 1324
179: ok 1325
179: ok 1326
179: ok 1327
179: ok 1328
179: ok 1329
179: ok 1330
179: ok 1331
179: ok 1332
179: ok 1333
179: ok 1334
179: ok 1335
179: ok 1336
179: ok 1337
179: ok 1338
179: ok 1339
179: ok 1340
179: ok 1341
179: ok 1342
179: ok 1343
179: ok 1344
179: ok 1345
179: ok 1346
179: ok 1347
179: ok 1348
179: ok 1349
179: ok 1350
179: ok 1351
179: ok 1352
179: ok 1353
179: ok 1354
179: ok 1355
179: ok 1356
179: ok 1357
179: ok 1358
179: ok 1359
179: ok 1360
179: ok 1361
179: ok 1362
179: ok 1363
179: ok 1364
179: ok 1365
179: ok 1366
179: ok 1367
179: ok 1368
179: ok 1369
179: ok 1370
179: ok 1371
179: ok 1372
179: ok 1373
179: ok 1374
179: ok 1375
179: ok 1376
179: ok 1377
179: ok 1378
179: ok 1379
179: ok 1380
179: ok 1381
179: ok 1382
179: ok 1383
179: ok 1384
179: ok 1385
179: ok 1386
179: ok 1387
179: ok 1388
179: ok 1389
179: ok 1390
179: ok 1391
179: ok 1392
179: ok 1393
179: ok 1394
179: ok 1395
179: ok 1396
179: ok 1397
179: ok 1398
179: ok 1399
179: ok 1400
179: ok 1401
179: ok 1402
179: ok 1403
179: ok 1404
179: ok 1405
179: ok 1406
179: ok 1407
179: ok 1408
179: ok 1409
179: ok 1410
179: ok 1411
179: ok 1412
179: ok 1413
179: ok 1414
179: ok 1415
179: ok 1416
179: ok 1417
179: ok 1418
179: ok 1419
179: ok 1420
179: ok 1421
179: ok 1422
179: ok 1423
179: ok 1424
179: ok 1425
179: ok 1426
179: ok 1427
179: ok 1428
179: ok 1429
179: ok 1430
179: ok 1431
179: ok 1432
179: ok 1433
179: ok 1434
179: ok 1435
179: ok 1436
179: ok 1437
179: ok 1438
179: ok 1439
179: ok 1440
179: ok 1441
179: ok 1442
179: ok 1443
179: ok 1444
179: ok 1445
179: ok 1446
179: ok 1447
179: ok 1448
179: ok 1449
179: ok 1450
179: ok 1451
179: ok 1452
179: ok 1453
179: ok 1454
179: ok 1455
179: ok 1456
179: ok 1457
179: ok 1458
179: ok 1459
179: ok 1460
179: ok 1461
179: ok 1462
179: ok 1463
179: ok 1464
179: ok 1465
179: ok 1466
179: ok 1467
179: ok 1468
179: ok 1469
179: ok 1470
179: ok 1471
179: ok 1472
179: ok 1473
179: ok 1474
179: ok 1475
179: ok 1476
179: ok 1477
179: ok 1478
179: ok 1479
179: ok 1480
179: ok 1481
179: ok 1482
179: ok 1483
179: ok 1484
179: ok 1485
179: ok 1486
179: ok 1487
179: ok 1488
179: ok 1489
179: ok 1490
179: ok 1491
179: ok 1492
179: ok 1493
179: ok 1494
179: ok 1495
179: ok 1496
179: ok 1497
179: ok 1498
179: ok 1499
179: ok 1500
179: ok 1501
179: ok 1502
179: ok 1503
179: ok 1504
179: ok 1505
179: ok 1506
179: ok 1507
179: ok 1508
179: ok 1509
179: ok 1510
179: ok 1511
179: ok 1512
179: ok 1513
179: ok 1514
179: ok 1515
179: ok 1516
179: ok 1517
179: ok 1518
179: ok 1519
179: ok 1520
179: ok 1521
179: ok 1522
179: ok 1523
179: ok 1524
179: ok 1525
179: ok 1526
179: ok 1527
179: ok 1528
179: ok 1529
179: ok 1530
179: ok 1531
179: ok 1532
179: ok 1533
179: ok 1534
179: ok 1535
179: ok 1536
179: ok 1537
179: ok 1538
179: ok 1539
179: ok 1540
179: ok 1541
179: ok 1542
179: ok 1543
179: ok 1544
179: ok 1545
179: ok 1546
179: ok 1547
179: ok 1548
179: ok 1549
179: ok 1550
179: ok 1551
179: ok 1552
179: ok 1553
179: ok 1554
179: ok 1555
179: ok 1556
179: ok 1557
179: ok 1558
179: ok 1559
179: ok 1560
179: ok 1561
179: ok 1562
179: ok 1563
179: ok 1564
179: ok 1565
179: ok 1566
179: ok 1567
179: ok 1568
179: ok 1569
179: ok 1570
179: ok 1571
179: ok 1572
179: ok 1573
179: ok 1574
179: ok 1575
179: ok 1576
179: ok 1577
179: ok 1578
179: ok 1579
179: ok 1580
179: ok 1581
179: ok 1582
179: ok 1583
179: ok 1584
179: ok 1585
179: ok 1586
179: ok 1587
179: ok 1588
179: ok 1589
179: ok 1590
179: ok 1591
179: ok 1592
179: ok 1593
179: ok 1594
179: ok 1595
179: ok 1596
179: ok 1597
179: ok 1598
179: ok 1599
179: ok 1600
179: ok 1601
179: ok 1602
179: ok 1603
179: ok 1604
179: ok 1605
179: ok 1606
179: ok 1607
179: ok 1608
179: ok 1609
179: ok 1610
179: ok 1611
179: ok 1612
179: ok 1613
179: ok 1614
179: ok 1615
179: ok 1616
179: ok 1617
179: ok 1618
179: ok 1619
179: ok 1620
179: ok 1621
179: ok 1622
179: ok 1623
179: ok 1624
179: ok 1625
179: ok 1626
179: ok 1627
179: ok 1628
179: ok 1629
179: ok 1630
179: ok 1631
179: ok 1632
179: ok 1633
179: ok 1634
179: ok 1635
179: ok 1636
179: ok 1637
179: ok 1638
179: ok 1639
179: ok 1640
179: ok 1641
179: ok 1642
179: ok 1643
179: ok 1644
179: ok 1645
179: ok 1646
179: ok 1647
179: ok 1648
179: ok 1649
179: ok 1650
179: ok 1651
179: ok 1652
179: ok 1653
179: ok 1654
179: ok 1655
179: ok 1656
179: ok 1657
179: ok 1658
179: ok 1659
179: ok 1660
179: ok 1661
179: ok 1662
179: ok 1663
179: ok 1664
179: ok 1665
179: ok 1666
179: ok 1667
179: ok 1668
179: ok 1669
179: ok 1670
179: ok 1671
179: ok 1672
179: ok 1673
179: ok 1674
179: ok 1675
179: ok 1676
179: ok 1677
179: ok 1678
179: ok 1679
179: ok 1680
179: ok 1681
179: ok 1682
179: ok 1683
179: ok 1684
179: ok 1685
179: ok 1686
179: ok 1687
179: ok 1688
179: ok 1689
179: ok 1690
179: ok 1691
179: ok 1692
179: ok 1693
179: ok 1694
179: ok 1695
179: ok 1696
179: ok 1697
179: ok 1698
179: ok 1699
179: ok 1700
179: ok 1701
179: ok 1702
179: ok 1703
179: ok 1704
179: ok 1705
179: ok 1706
179: ok 1707
179: ok 1708
179: ok 1709
179: ok 1710
179: ok 1711
179: ok 1712
179: ok 1713
179: ok 1714
179: ok 1715
179: ok 1716
179: ok 1717
179: ok 1718
179: ok 1719
179: ok 1720
179: ok 1721
179: ok 1722
179: ok 1723
179: ok 1724
179: ok 1725
179: ok 1726
179: ok 1727
179: ok 1728
179: ok 1729
179: ok 1730
179: ok 1731
179: ok 1732
179: ok 1733
179: ok 1734
179: ok 1735
179: ok 1736
179: ok 1737
179: ok 1738
179: ok 1739
179: ok 1740
179: ok 1741
179: ok 1742
179: ok 1743
179: ok 1744
179: ok 1745
179: ok 1746
179: ok 1747
179: ok 1748
179: ok 1749
179: ok 1750
179: ok 1751
179: ok 1752
179: ok 1753
179: ok 1754
179: ok 1755
179: ok 1756
179: ok 1757
179: ok 1758
179: ok 1759
179: ok 1760
179: ok 1761
179: ok 1762
179: ok 1763
179: ok 1764
179: ok 1765
179: ok 1766
179: ok 1767
179: ok 1768
179: ok 1769
179: ok 1770
179: ok 1771
179: ok 1772
179: ok 1773
179: ok 1774
179: ok 1775
179: ok 1776
179: ok 1777
179: ok 1778
179: ok 1779
179: ok 1780
179: ok 1781
179: ok 1782
179: ok 1783
179: ok 1784
179: ok 1785
179: ok 1786
179: ok 1787
179: ok 1788
179: ok 1789
179: ok 1790
179: ok 1791
179: ok 1792
179: ok 1793
179: ok 1794
179: ok 1795
179: ok 1796
179: ok 1797
179: ok 1798
179: ok 1799
179: ok 1800
179: ok 1801
179: ok 1802
179: ok 1803
179: ok 1804
179: ok 1805
179: ok 1806
179: ok 1807
179: ok 1808
179: ok 1809
179: ok 1810
179: ok 1811
179: ok 1812
179: ok 1813
179: ok 1814
179: ok 1815
179: ok 1816
179: ok 1817
179: ok 1818
179: ok 1819
179: ok 1820
179: ok 1821
179: ok 1822
179: ok 1823
179: ok 1824
179: ok 1825
179: ok 1826
179: ok 1827
179: ok 1828
179: ok 1829
179: ok 1830
179: ok 1831
179: ok 1832
179: ok 1833
179: ok 1834
179: ok 1835
179: ok 1836
179: ok 1837
179: ok 1838
179: ok 1839
179: ok 1840
179: ok 1841
179: ok 1842
179: ok 1843
179: ok 1844
179: ok 1845
179: ok 1846
179: ok 1847
179: ok 1848
179: ok 1849
179: ok 1850
179: ok 1851
179: ok 1852
179: ok 1853
179: ok 1854
179: ok 1855
179: ok 1856
179: ok 1857
179: ok 1858
179: ok 1859
179: ok 1860
179: ok 1861
179: ok 1862
179: ok 1863
179: ok 1864
179: ok 1865
179: ok 1866
179: ok 1867
179: ok 1868
179: ok 1869
179: ok 1870
179: ok 1871
179: ok 1872
179: ok 1873
179: ok 1874
179: ok 1875
179: ok 1876
179: ok 1877
179: ok 1878
179: ok 1879
179: ok 1880
179: ok 1881
179: ok 1882
179: ok 1883
179: ok 1884
179: ok 1885
179: ok 1886
179: ok 1887
179: ok 1888
179: ok 1889
179: ok 1890
179: ok 1891
179: ok 1892
179: ok 1893
179: ok 1894
179: ok 1895
179: ok 1896
179: ok 1897
179: ok 1898
179: ok 1899
179: ok 1900
179: ok 1901
179: ok 1902
179: ok 1903
179: ok 1904
179: ok 1905
179: ok 1906
179: ok 1907
179: ok 1908
179: ok 1909
179: ok 1910
179: ok 1911
179: ok 1912
179: ok 1913
179: ok 1914
179: ok 1915
179: ok 1916
179: ok 1917
179: ok 1918
179: ok 1919
179: ok 1920
179: ok 1921
179: ok 1922
179: ok 1923
179: ok 1924
179: ok 1925
179: ok 1926
179: ok 1927
179: ok 1928
179: ok 1929
179: ok 1930
179: ok 1931
179: ok 1932
179: ok 1933
179: ok 1934
179: ok 1935
179: ok 1936
179: ok 1937
179: ok 1938
179: ok 1939
179: ok 1940
179: ok 1941
179: ok 1942
179: ok 1943
179: ok 1944
179: ok 1945
179: ok 1946
179: ok 1947
179: ok 1948
179: ok 1949
179: ok 1950
179: ok 1951
179: ok 1952
179: ok 1953
179: ok 1954
179: ok 1955
179: ok 1956
179: ok 1957
179: ok 1958
179: ok 1959
179: ok 1960
179: ok 1961
179: ok 1962
179: ok 1963
179: ok 1964
179: ok 1965
179: ok 1966
179: ok 1967
179: ok 1968
179: ok 1969
179: ok 1970
179: ok 1971
179: ok 1972
179: ok 1973
179: ok 1974
179: ok 1975
179: ok 1976
179: ok 1977
179: ok 1978
179: ok 1979
179: ok 1980
179: ok 1981
179: ok 1982
179: ok 1983
179: ok 1984
179: ok 1985
179: ok 1986
179: ok 1987
179: ok 1988
179: ok 1989
179: ok 1990
179: ok 1991
179: ok 1992
179: ok 1993
179: ok 1994
179: ok 1995
179: ok 1996
179: ok 1997
179: ok 1998
179: ok 1999
179: ok 2000
179: ok 2001
179: ok 2002
179: ok 2003
179: ok 2004
179: ok 2005
179: ok 2006
179: ok 2007
179: ok 2008
179: ok 2009
179: ok 2010
179: ok 2011
179: ok 2012
179: ok 2013
179: ok 2014
179: ok 2015
179: ok 2016
179: ok 2017
179: ok 2018
179: ok 2019
179: ok 2020
179: ok 2021
179: ok 2022
179: ok 2023
179: ok 2024
179: ok 2025
179: ok 2026
179: ok 2027
179: ok 2028
179: ok 2029
179: ok 2030
179: ok 2031
179: ok 2032
179: ok 2033
179: ok 2034
179: ok 2035
179: ok 2036
179: ok 2037
179: ok 2038
179: ok 2039
179: ok 2040
179: ok 2041
179: ok 2042
179: ok 2043
179: ok 2044
179: ok 2045
179: ok 2046
179: ok 2047
179: ok 2048
179: ok 2049
179: ok 2050
179: ok 2051
179: ok 2052
179: ok 2053
179: ok 2054
179: ok 2055
179: ok 2056
179: ok 2057
179: ok 2058
179: ok 2059
179: ok 2060
179: ok 2061
179: ok 2062
179: ok 2063
179: ok 2064
179: ok 2065
179: ok 2066
179: ok 2067
179: ok 2068
179: ok 2069
179: ok 2070
179: ok 2071
179: ok 2072
179: ok 2073
179: ok 2074
179: ok 2075
179: ok 2076
179: ok 2077
179: ok 2078
179: ok 2079
179: ok 2080
179: ok 2081
179: ok 2082
179: ok 2083
179: ok 2084
179: ok 2085
179: ok 2086
179: ok 2087
179: ok 2088
179: ok 2089
179: ok 2090
179: ok 2091
179: ok 2092
179: ok 2093
179: ok 2094
179: ok 2095
179: ok 2096
179: ok 2097
179: ok 2098
179: ok 2099
179: ok 2100
179: ok 2101
179: ok 2102
179: ok 2103
179: ok 2104
179: ok 2105
179: ok 2106
179: ok 2107
179: ok 2108
179: ok 2109
179: ok 2110
179: ok 2111
179: ok 2112
179: ok 2113
179: ok 2114
179: ok 2115
179: ok 2116
179: ok 2117
179: ok 2118
179: ok 2119
179: ok 2120
179: ok 2121
179: ok 2122
179: ok 2123
179: ok 2124
179: ok 2125
179: ok 2126
179: ok 2127
179: ok 2128
179: ok 2129
179: ok 2130
179: ok 2131
179: ok 2132
179: ok 2133
179: ok 2134
179: ok 2135
179: ok 2136
179: ok 2137
179: ok 2138
179: ok 2139
179: ok 2140
179: ok 2141
179: ok 2142
179: ok 2143
179: ok 2144
179: ok 2145
179: ok 2146
179: ok 2147
179: ok 2148
179: ok 2149
179: ok 2150
179: ok 2151
179: ok 2152
179: ok 2153
179: ok 2154
179: ok 2155
179: ok 2156
179: ok 2157
179: ok 2158
179: ok 2159
179: ok 2160
179: ok 2161
179: ok 2162
179: ok 2163
179: ok 2164
179: ok 2165
179: ok 2166
179: ok 2167
179: ok 2168
179: ok 2169
179: ok 2170
179: ok 2171
179: ok 2172
179: ok 2173
179: ok 2174
179: ok 2175
179: ok 2176
179: ok 2177
179: ok 2178
179: ok 2179
179: ok 2180
179: ok 2181
179: ok 2182
179: ok 2183
179: ok 2184
179: ok 2185
179: ok 2186
179: ok 2187
179: ok 2188
179: ok 2189
179: ok 2190
179: ok 2191
179: ok 2192
179: ok 2193
179: ok 2194
179: ok 2195
179: ok 2196
179: ok 2197
179: ok 2198
179: ok 2199
179: ok 2200
179: ok 2201
179: ok 2202
179: ok 2203
179: ok 2204
179: ok 2205
179: ok 2206
179: ok 2207
179: ok 2208
179: ok 2209
179: ok 2210
179: ok 2211
179: ok 2212
179: ok 2213
179: ok 2214
179: ok 2215
179: ok 2216
179: ok 2217
179: ok 2218
179: ok 2219
179: ok 2220
179: ok 2221
179: ok 2222
179: ok 2223
179: ok 2224
179: ok 2225
179: ok 2226
179: ok 2227
179: ok 2228
179: ok 2229
179: ok 2230
179: ok 2231
179: ok 2232
179: ok 2233
179: ok 2234
179: ok 2235
179: ok 2236
179: ok 2237
179: ok 2238
179: ok 2239
179: ok 2240
179: ok 2241
179: ok 2242
179: ok 2243
179: ok 2244
179: ok 2245
179: ok 2246
179: ok 2247
179: ok 2248
179: ok 2249
179: ok 2250
179: ok 2251
179: ok 2252
179: ok 2253
179: ok 2254
179: ok 2255
179: ok 2256
179: ok 2257
179: ok 2258
179: ok 2259
179: ok 2260
179: ok 2261
179: ok 2262
179: ok 2263
179: ok 2264
179: ok 2265
179: ok 2266
179: ok 2267
179: ok 2268
179: ok 2269
179: ok 2270
179: ok 2271
179: ok 2272
179: ok 2273
179: ok 2274
179: ok 2275
179: ok 2276
179: ok 2277
179: ok 2278
179: ok 2279
179: ok 2280
179: ok 2281
179: ok 2282
179: ok 2283
179: ok 2284
179: ok 2285
179: ok 2286
179: ok 2287
179: ok 2288
179: ok 2289
179: ok 2290
179: ok 2291
179: ok 2292
179: ok 2293
179: ok 2294
179: ok 2295
179: ok 2296
179: ok 2297
179: ok 2298
179: ok 2299
179: ok 2300
179: ok 2301
179: ok 2302
179: ok 2303
179: ok 2304
179: ok 2305
179: ok 2306
179: ok 2307
179: ok 2308
179: ok 2309
179: ok 2310
179: ok 2311
179: ok 2312
179: ok 2313
179: ok 2314
179: ok 2315
179: ok 2316
179: ok 2317
179: ok 2318
179: ok 2319
179: ok 2320
179: ok 2321
179: ok 2322
179: ok 2323
179: ok 2324
179: ok 2325
179: ok 2326
179: ok 2327
179: ok 2328
179: ok 2329
179: ok 2330
179: ok 2331
179: ok 2332
179: ok 2333
179: ok 2334
179: ok 2335
179: ok 2336
179: ok 2337
179: ok 2338
179: ok 2339
179: ok 2340
179: ok 2341
179: ok 2342
179: ok 2343
179: ok 2344
179: ok 2345
179: ok 2346
179: ok 2347
179: ok 2348
179: ok 2349
179: ok 2350
179: ok 2351
179: ok 2352
179: ok 2353
179: ok 2354
179: ok 2355
179: ok 2356
179: ok 2357
179: ok 2358
179: ok 2359
179: ok 2360
179: ok 2361
179: ok 2362
179: ok 2363
179: ok 2364
179: ok 2365
179: ok 2366
179: ok 2367
179: ok 2368
179: ok 2369
179: ok 2370
179: ok 2371
179: ok 2372
179: ok 2373
179: ok 2374
179: ok 2375
179: ok 2376
179: ok 2377
179: ok 2378
179: ok 2379
179: ok 2380
179: ok 2381
179: ok 2382
179: ok 2383
179: ok 2384
179: ok 2385
179: ok 2386
179: ok 2387
179: ok 2388
179: ok 2389
179: ok 2390
179: ok 2391
179: ok 2392
179: ok 2393
179: ok 2394
179: ok 2395
179: ok 2396
179: ok 2397
179: ok 2398
179: ok 2399
179: ok 2400
179: ok 2401
179: ok 2402
179: ok 2403
179: ok 2404
179: ok 2405
179: ok 2406
179: ok 2407
179: ok 2408
179: ok 2409
179: ok 2410
179: ok 2411
179: ok 2412
179: ok 2413
179: ok 2414
179: ok 2415
179: ok 2416
179: ok 2417
179: ok 2418
179: ok 2419
179: ok 2420
179: ok 2421
179: ok 2422
179: ok 2423
179: ok 2424
179: ok 2425
179: ok 2426
179: ok 2427
179: ok 2428
179: ok 2429
179: ok 2430
179: ok 2431
179: ok 2432
179: ok 2433
179: ok 2434
179: ok 2435
179: ok 2436
179: ok 2437
179: ok 2438
179: ok 2439
179: ok 2440
179: ok 2441
179: ok 2442
179: ok 2443
179: ok 2444
179: ok 2445
179: ok 2446
179: ok 2447
179: ok 2448
179: ok 2449
179: ok 2450
179: ok 2451
179: ok 2452
179: ok 2453
179: ok 2454
179: ok 2455
179: ok 2456
179: ok 2457
179: ok 2458
179: ok 2459
179: ok 2460
179: ok 2461
179: ok 2462
179: ok 2463
179: ok 2464
179: ok 2465
179: ok 2466
179: ok 2467
179: ok 2468
179: ok 2469
179: ok 2470
179: ok 2471
179: ok 2472
179: ok 2473
179: ok 2474
179: ok 2475
179: ok 2476
179: ok 2477
179: ok 2478
179: ok 2479
179: ok 2480
179: ok 2481
179: ok 2482
179: ok 2483
179: ok 2484
179: ok 2485
179: ok 2486
179: ok 2487
179: ok 2488
179: ok 2489
179: ok 2490
179: ok 2491
179: ok 2492
179: ok 2493
179: ok 2494
179: ok 2495
179: ok 2496
179: ok 2497
179: ok 2498
179: ok 2499
179: ok 2500
179: ok 2501
179: ok 2502
179: ok 2503
179: ok 2504
179: ok 2505
179: ok 2506
179: ok 2507
179: ok 2508
179: ok 2509
179: ok 2510
179: ok 2511
179: ok 2512
179: ok 2513
179: ok 2514
179: ok 2515
179: ok 2516
179: ok 2517
179: ok 2518
179: ok 2519
179: ok 2520
179: ok 2521
179: ok 2522
179: ok 2523
179: ok 2524
179: ok 2525
179: ok 2526
179: ok 2527
179: ok 2528
179: ok 2529
179: ok 2530
179: ok 2531
179: ok 2532
179: ok 2533
179: ok 2534
179: ok 2535
179: ok 2536
179: ok 2537
179: ok 2538
179: ok 2539
179: ok 2540
179: ok 2541
179: ok 2542
179: ok 2543
179: ok 2544
179: ok 2545
179: ok 2546
179: ok 2547
179: ok 2548
179: ok 2549
179: ok 2550
179: ok 2551
179: ok 2552
179: ok 2553
179: ok 2554
179: ok 2555
179: ok 2556
179: ok 2557
179: ok 2558
179: ok 2559
179: ok 2560
179: ok 2561
179: ok 2562
179: ok 2563
179: ok 2564
179: ok 2565
179: ok 2566
179: ok 2567
179: ok 2568
179: ok 2569
179: ok 2570
179: ok 2571
179: ok 2572
179: ok 2573
179: ok 2574
179: ok 2575
179: ok 2576
179: ok 2577
179: ok 2578
179: ok 2579
179: ok 2580
179: ok 2581
179: ok 2582
179: ok 2583
179: ok 2584
179: ok 2585
179: ok 2586
179: ok 2587
179: ok 2588
179: ok 2589
179: ok 2590
179: ok 2591
179: ok 2592
179: ok 2593
179: ok 2594
179: ok 2595
179: ok 2596
179: ok 2597
179: ok 2598
179: ok 2599
179: ok 2600
179: ok 2601
179: ok 2602
179: ok 2603
179: ok 2604
179: ok 2605
179: ok 2606
179: ok 2607
179: ok 2608
179: ok 2609
179: ok 2610
179: ok 2611
179: ok 2612
179: ok 2613
179: ok 2614
179: ok 2615
179: ok 2616
179: ok 2617
179: ok 2618
179: ok 2619
179: ok 2620
179: ok 2621
179: ok 2622
179: ok 2623
179: ok 2624
179: ok 2625
179: ok 2626
179: ok 2627
179: ok 2628
179: ok 2629
179: ok 2630
179: ok 2631
179: ok 2632
179: ok 2633
179: ok 2634
179: ok 2635
179: ok 2636
179: ok 2637
179: ok 2638
179: ok 2639
179: ok 2640
179: ok 2641
179: ok 2642
179: ok 2643
179: ok 2644
179: ok 2645
179: ok 2646
179: ok 2647
179: ok 2648
179: ok 2649
179: ok 2650
179: ok 2651
179: ok 2652
179: ok 2653
179: ok 2654
179: ok 2655
179: ok 2656
179: ok 2657
179: ok 2658
179: ok 2659
179: ok 2660
179: ok 2661
179: ok 2662
179: ok 2663
179: ok 2664
179: ok 2665
179: ok 2666
179: ok 2667
179: ok 2668
179: ok 2669
179: ok 2670
179: ok 2671
179: ok 2672
179: ok 2673
179: ok 2674
179: ok 2675
179: ok 2676
179: ok 2677
179: ok 2678
179: ok 2679
179: ok 2680
179: ok 2681
179: ok 2682
179: ok 2683
179: ok 2684
179: ok 2685
179: ok 2686
179: ok 2687
179: ok 2688
179: ok 2689
179: ok 2690
179: ok 2691
179: ok 2692
179: ok 2693
179: ok 2694
179: ok 2695
179: ok 2696
179: ok 2697
179: ok 2698
179: ok 2699
179: ok 2700
179: ok 2701
179: ok 2702
179: ok 2703
179: ok 2704
179: ok 2705
179: ok 2706
179: ok 2707
179: ok 2708
179: ok 2709
179: ok 2710
179: ok 2711
179: ok 2712
179: ok 2713
179: ok 2714
179: ok 2715
179: ok 2716
179: ok 2717
179: ok 2718
179: ok 2719
179: ok 2720
179: ok 2721
179: ok 2722
179: ok 2723
179: ok 2724
179: ok 2725
179: ok 2726
179: ok 2727
179: ok 2728
179: ok 2729
179: ok 2730
179: ok 2731
179: ok 2732
179: ok 2733
179: ok 2734
179: ok 2735
179: ok 2736
179: ok 2737
179: ok 2738
179: ok 2739
179: ok 2740
179: ok 2741
179: ok 2742
179: ok 2743
179: ok 2744
179: ok 2745
179: ok 2746
179: ok 2747
179: ok 2748
179: ok 2749
179: ok 2750
179: ok 2751
179: ok 2752
179: ok 2753
179: ok 2754
179: ok 2755
179: ok 2756
179: ok 2757
179: ok 2758
179: ok 2759
179: ok 2760
179: ok 2761
179: ok 2762
179: ok 2763
179: ok 2764
179: ok 2765
179: ok 2766
179: ok 2767
179: ok 2768
179: ok 2769
179: ok 2770
179: ok 2771
179: ok 2772
179: ok 2773
179: ok 2774
179: ok 2775
179: ok 2776
179: ok 2777
179: ok 2778
179: ok 2779
179: ok 2780
179: ok 2781
179: ok 2782
179: ok 2783
179: ok 2784
179: ok 2785
179: ok 2786
179: ok 2787
179: ok 2788
179: ok 2789
179: ok 2790
179: ok 2791
179: ok 2792
179: ok 2793
179: ok 2794
179: ok 2795
179: ok 2796
179: ok 2797
179: ok 2798
179: ok 2799
179: ok 2800
179: ok 2801
179: ok 2802
179: ok 2803
179: ok 2804
179: ok 2805
179: ok 2806
179: ok 2807
179: ok 2808
179: ok 2809
179: ok 2810
179: ok 2811
179: ok 2812
179: ok 2813
179: ok 2814
179: ok 2815
179: ok 2816
179: ok 2817
179: ok 2818
179: ok 2819
179: ok 2820
179: ok 2821
179: ok 2822
179: ok 2823
179: ok 2824
179: ok 2825
179: ok 2826
179: ok 2827
179: ok 2828
179: ok 2829
179: ok 2830
179: ok 2831
179: ok 2832
179: ok 2833
179: ok 2834
179: ok 2835
179: ok 2836
179: ok 2837
179: ok 2838
179: ok 2839
179: ok 2840
179: ok 2841
179: ok 2842
179: ok 2843
179: ok 2844
179: ok 2845
179: ok 2846
179: ok 2847
179: ok 2848
179: ok 2849
179: ok 2850
179: ok 2851
179: ok 2852
179: ok 2853
179: ok 2854
179: ok 2855
179: ok 2856
179: ok 2857
179: ok 2858
179: ok 2859
179: ok 2860
179: ok 2861
179: ok 2862
179: ok 2863
179: ok 2864
179: ok 2865
179: ok 2866
179: ok 2867
179: ok 2868
179: ok 2869
179: ok 2870
179: ok 2871
179: ok 2872
179: ok 2873
179: ok 2874
179: ok 2875
179: ok 2876
179: ok 2877
179: ok 2878
179: ok 2879
179: ok 2880
179: ok 2881
179: ok 2882
179: ok 2883
179: ok 2884
179: ok 2885
179: ok 2886
179: ok 2887
179: ok 2888
179: ok 2889
179: ok 2890
179: ok 2891
179: ok 2892
179: ok 2893
179: ok 2894
179: ok 2895
179: ok 2896
179: ok 2897
179: ok 2898
179: ok 2899
179: ok 2900
179: ok 2901
179: ok 2902
179: ok 2903
179: ok 2904
179: ok 2905
179: ok 2906
179: ok 2907
179: ok 2908
179: ok 2909
179: ok 2910
179: ok 2911
179: ok 2912
179: ok 2913
179: ok 2914
179: ok 2915
179: ok 2916
179: ok 2917
179: ok 2918
179: ok 2919
179: ok 2920
179: ok 2921
179: ok 2922
179: ok 2923
179: ok 2924
179: ok 2925
179: ok 2926
179: ok 2927
179: ok 2928
179: ok 2929
179: ok 2930
179: ok 2931
179: ok 2932
179: ok 2933
179: ok 2934
179: ok 2935
179: ok 2936
179: ok 2937
179: ok 2938
179: ok 2939
179: ok 2940
179: ok 2941
179: ok 2942
179: ok 2943
179: ok 2944
179: ok 2945
179: ok 2946
179: ok 2947
179: ok 2948
179: ok 2949
179: ok 2950
179: ok 2951
179: ok 2952
179: ok 2953
179: ok 2954
179: ok 2955
179: ok 2956
179: ok 2957
179: ok 2958
179: ok 2959
179: ok 2960
179: ok 2961
179: ok 2962
179: ok 2963
179: ok 2964
179: ok 2965
179: ok 2966
179: ok 2967
179: ok 2968
179: ok 2969
179: ok 2970
179: ok 2971
179: ok 2972
179: ok 2973
179: ok 2974
179: ok 2975
179: ok 2976
179: ok 2977
179: ok 2978
179: ok 2979
179: ok 2980
179: ok 2981
179: ok 2982
179: ok 2983
179: ok 2984
179: ok 2985
179: ok 2986
179: ok 2987
179: ok 2988
179: ok 2989
179: ok 2990
179: ok 2991
179: ok 2992
179: ok 2993
179: ok 2994
179: ok 2995
179: ok 2996
179: ok 2997
179: ok 2998
179: ok 2999
179: ok 3000
179: ok 3001
179: ok 3002
179: ok 3003
179: ok 3004
179: ok 3005
179: ok 3006
179: ok 3007
179: ok 3008
179: ok 3009
179: ok 3010
179: ok 3011
179: ok 3012
179: ok 3013
179: ok 3014
179: ok 3015
179: ok 3016
179: ok 3017
179: ok 3018
179: ok 3019
179: ok 3020
179: ok 3021
179: ok 3022
179: ok 3023
179: ok 3024
179: ok 3025
179: ok 3026
179: ok 3027
179: ok 3028
179: ok 3029
179: ok 3030
179: ok 3031
179: ok 3032
179: ok 3033
179: ok 3034
179: ok 3035
179: ok 3036
179: ok 3037
179: ok 3038
179: ok 3039
179: ok 3040
179: ok 3041
179: ok 3042
179: ok 3043
179: ok 3044
179: ok 3045
179: ok 3046
179: ok 3047
179: ok 3048
179: ok 3049
179: ok 3050
179: ok 3051
179: ok 3052
179: ok 3053
179: ok 3054
179: ok 3055
179: ok 3056
179: ok 3057
179: ok 3058
179: ok 3059
179: ok 3060
179: ok 3061
179: ok 3062
179: ok 3063
179: ok 3064
179: ok 3065
179: ok 3066
179: ok 3067
179: ok 3068
179: ok 3069
179: ok 3070
179: ok 3071
179: ok 3072
179: ok 3073
179: ok 3074
179: ok 3075
179: ok 3076
179: ok 3077
179: ok 3078
179: ok 3079
179: ok 3080
179: ok 3081
179: ok 3082
179: ok 3083
179: ok 3084
179: ok 3085
179: ok 3086
179: ok 3087
179: ok 3088
179: ok 3089
179: ok 3090
179: ok 3091
179: ok 3092
179: ok 3093
179: ok 3094
179: ok 3095
179: ok 3096
179: ok 3097
179: ok 3098
179: ok 3099
179: ok 3100
179: ok 3101
179: ok 3102
179: ok 3103
179: ok 3104
179: ok 3105
179: ok 3106
179: ok 3107
179: ok 3108
179: ok 3109
179: ok 3110
179: ok 3111
179: ok 3112
179: ok 3113
179: ok 3114
179: ok 3115
179: ok 3116
179: ok 3117
179: ok 3118
179: ok 3119
179: ok 3120
179: ok 3121
179: ok 3122
179: ok 3123
179: ok 3124
179: ok 3125
179: ok 3126
179: ok 3127
179: ok 3128
179: ok 3129
179: ok 3130
179: ok 3131
179: ok 3132
179: ok 3133
179: ok 3134
179: ok 3135
179: ok 3136
179: ok 3137
179: ok 3138
179: ok 3139
179: ok 3140
179: ok 3141
179: ok 3142
179: ok 3143
179: ok 3144
179: ok 3145
179: ok 3146
179: ok 3147
179: ok 3148
179: ok 3149
179: ok 3150
179: ok 3151
179: ok 3152
179: ok 3153
179: ok 3154
179: ok 3155
179: ok 3156
179: ok 3157
179: ok 3158
179: ok 3159
179: ok 3160
179: ok 3161
179: ok 3162
179: ok 3163
179: ok 3164
179: ok 3165
179: ok 3166
179: ok 3167
179: ok 3168
179: ok 3169
179: ok 3170
179: ok 3171
179: ok 3172
179: ok 3173
179: ok 3174
179: ok 3175
179: ok 3176
179: ok 3177
179: ok 3178
179: ok 3179
179: ok 3180
179: ok 3181
179: ok 3182
179: ok 3183
179: ok 3184
179: ok 3185
179: ok 3186
179: ok 3187
179: ok 3188
179: ok 3189
179: ok 3190
179: ok 3191
179: ok 3192
179: ok 3193
179: ok 3194
179: ok 3195
179: ok 3196
179: ok 3197
179: ok 3198
179: ok 3199
179: ok 3200
179: ok 3201
179: ok 3202
179: ok 3203
179: ok 3204
179: ok 3205
179: ok 3206
179: ok 3207
179: ok 3208
179: ok 3209
179: ok 3210
179: ok 3211
179: ok 3212
179: ok 3213
179: ok 3214
179: ok 3215
179: ok 3216
179: ok 3217
179: ok 3218
179: ok 3219
179: ok 3220
179: ok 3221
179: ok 3222
179: ok 3223
179: ok 3224
179: ok 3225
179: ok 3226
179: ok 3227
179: ok 3228
179: ok 3229
179: ok 3230
179: ok 3231
179: ok 3232
179: ok 3233
179: ok 3234
179: ok 3235
179: ok 3236
179: ok 3237
179: ok 3238
179: ok 3239
179: ok 3240
179: ok 3241
179: ok 3242
179: ok 3243
179: ok 3244
179: ok 3245
179: ok 3246
179: ok 3247
179: ok 3248
179: ok 3249
179: ok 3250
179: ok 3251
179: ok 3252
179: ok 3253
179: ok 3254
179: ok 3255
179: ok 3256
179: ok 3257
179: ok 3258
179: ok 3259
179: ok 3260
179: ok 3261
179: ok 3262
179: ok 3263
179: ok 3264
179: ok 3265
179: ok 3266
179: ok 3267
179: ok 3268
179: ok 3269
179: ok 3270
179: ok 3271
179: ok 3272
179: ok 3273
179: ok 3274
179: ok 3275
179: ok 3276
179: ok 3277
179: ok 3278
179: ok 3279
179: ok 3280
179: ok 3281
179: ok 3282
179: ok 3283
179: ok 3284
179: ok 3285
179: ok 3286
179: ok 3287
179: ok 3288
179: ok 3289
179: ok 3290
179: ok 3291
179: ok 3292
179: ok 3293
179: ok 3294
179: ok 3295
179: ok 3296
179: ok 3297
179: ok 3298
179: ok 3299
179: ok 3300
179: ok 3301
179: ok 3302
179: ok 3303
179: ok 3304
179: ok 3305
179: ok 3306
179: ok 3307
179: ok 3308
179: ok 3309
179: ok 3310
179: ok 3311
179: ok 3312
179: ok 3313
179: ok 3314
179: ok 3315
179: ok 3316
179: ok 3317
179: ok 3318
179: ok 3319
179: ok 3320
179: ok 3321
179: ok 3322
179: ok 3323
179: ok 3324
179: ok 3325
179: ok 3326
179: ok 3327
179: ok 3328
179: ok 3329
179: ok 3330
179: ok 3331
179: ok 3332
179: ok 3333
179: ok 3334
179: ok 3335
179: ok 3336
179: ok 3337
179: ok 3338
179: ok 3339
179: ok 3340
179: ok 3341
179: ok 3342
179: ok 3343
179: ok 3344
179: ok 3345
179: ok 3346
179: ok 3347
179: ok 3348
179: ok 3349
179: ok 3350
179: ok 3351
179: ok 3352
179: ok 3353
179: ok 3354
179: ok 3355
179: ok 3356
179: ok 3357
179: ok 3358
179: ok 3359
179: ok 3360
179: ok 3361
179: ok 3362
179: ok 3363
179: ok 3364
179: ok 3365
179: ok 3366
179: ok 3367
179: ok 3368
179: ok 3369
179: ok 3370
179: ok 3371
179: ok 3372
179: ok 3373
179: ok 3374
179: ok 3375
179: ok 3376
179: ok 3377
179: ok 3378
179: ok 3379
179: ok 3380
179: ok 3381
179: ok 3382
179: ok 3383
179: ok 3384
179: ok 3385
179: ok 3386
179: ok 3387
179: ok 3388
179: ok 3389
179: ok 3390
179: ok 3391
179: ok 3392
179: ok 3393
179: ok 3394
179: ok 3395
179: ok 3396
179: ok 3397
179: ok 3398
179: ok 3399
179: ok 3400
179: ok 3401
179: ok 3402
179: ok 3403
179: ok 3404
179: ok 3405
179: ok 3406
179: ok 3407
179: ok 3408
179: ok 3409
179: ok 3410
179: ok 3411
179: ok 3412
179: ok 3413
179: ok 3414
179: ok 3415
179: ok 3416
179: ok 3417
179: ok 3418
179: ok 3419
179: ok 3420
179: ok 3421
179: ok 3422
179: ok 3423
179: ok 3424
179: ok 3425
179: ok 3426
179: ok 3427
179: ok 3428
179: ok 3429
179: ok 3430
179: ok 3431
179: ok 3432
179: ok 3433
179: ok 3434
179: ok 3435
179: ok 3436
179: ok 3437
179: ok 3438
179: ok 3439
179: ok 3440
179: ok 3441
179: ok 3442
179: ok 3443
179: ok 3444
179: ok 3445
179: ok 3446
179: ok 3447
179: ok 3448
179: ok 3449
179: ok 3450
179: ok 3451
179: ok 3452
179: ok 3453
179: ok 3454
179: ok 3455
179: ok 3456
179: ok 3457
179: ok 3458
179: ok 3459
179: ok 3460
179: ok 3461
179: ok 3462
179: ok 3463
179: ok 3464
179: ok 3465
179: ok 3466
179: ok 3467
179: ok 3468
179: ok 3469
179: ok 3470
179: ok 3471
179: ok 3472
179: ok 3473
179: ok 3474
179: ok 3475
179: ok 3476
179: ok 3477
179: ok 3478
179: ok 3479
179: ok 3480
179: ok 3481
179: ok 3482
179: ok 3483
179: ok 3484
179: ok 3485
179: ok 3486
179: ok 3487
179: ok 3488
179: ok 3489
179: ok 3490
179: ok 3491
179: ok 3492
179: ok 3493
179: ok 3494
179: ok 3495
179: ok 3496
179: ok 3497
179: ok 3498
179: ok 3499
179: ok 3500
179: ok 3501
179: ok 3502
179: ok 3503
179: ok 3504
179: ok 3505
179: ok 3506
179: ok 3507
179: ok 3508
179: ok 3509
179: ok 3510
179: ok 3511
179: ok 3512
179: ok 3513
179: ok 3514
179: ok 3515
179: ok 3516
179: ok 3517
179: ok 3518
179: ok 3519
179: ok 3520
179: ok 3521
179: ok 3522
179: ok 3523
179: ok 3524
179: ok 3525
179: ok 3526
179: ok 3527
179: ok 3528
179: ok 3529
179: ok 3530
179: ok 3531
179: ok 3532
179: ok 3533
179: ok 3534
179: ok 3535
179: ok 3536
179: ok 3537
179: ok 3538
179: ok 3539
179: ok 3540
179: ok 3541
179: ok 3542
179: ok 3543
179: ok 3544
179: ok 3545
179: ok 3546
179: ok 3547
179: ok 3548
179: ok 3549
179: ok 3550
179: ok 3551
179: ok 3552
179: ok 3553
179: ok 3554
179: ok 3555
179: ok 3556
179: ok 3557
179: ok 3558
179: ok 3559
179: ok 3560
179: ok 3561
179: ok 3562
179: ok 3563
179: ok 3564
179: ok 3565
179: ok 3566
179: ok 3567
179: ok 3568
179: ok 3569
179: ok 3570
179: ok 3571
179: ok 3572
179: ok 3573
179: ok 3574
179: ok 3575
179: ok 3576
179: ok 3577
179: ok 3578
179: ok 3579
179: ok 3580
179: ok 3581
179: ok 3582
179: ok 3583
179: ok 3584
179: ok 3585
179: ok 3586
179: ok 3587
179: ok 3588
179: ok 3589
179: ok 3590
179: ok 3591
179: ok 3592
179: ok 3593
179: ok 3594
179: ok 3595
179: ok 3596
179: ok 3597
179: ok 3598
179: ok 3599
179: ok 3600
179: ok 3601
179: ok 3602
179: ok 3603
179: ok 3604
179: ok 3605
179: ok 3606
179: ok 3607
179: ok 3608
179: ok 3609
179: ok 3610
179: ok 3611
179: ok 3612
179: ok 3613
179: ok 3614
179: ok 3615
179: ok 3616
179: ok 3617
179: ok 3618
179: ok 3619
179: ok 3620
179: ok 3621
179: ok 3622
179: ok 3623
179: ok 3624
179: ok 3625
179: ok 3626
179: ok 3627
179: ok 3628
179: ok 3629
179: ok 3630
179: ok 3631
179: ok 3632
179: ok 3633
179: ok 3634
179: ok 3635
179: ok 3636
179: ok 3637
179: ok 3638
179: ok 3639
179: ok 3640
179: ok 3641
179: ok 3642
179: ok 3643
179: ok 3644
179: ok 3645
179: ok 3646
179: ok 3647
179: ok 3648
179: ok 3649
179: ok 3650
179: ok 3651
179: ok 3652
179: ok 3653
179: ok 3654
179: ok 3655
179: ok 3656
179: ok 3657
179: ok 3658
179: ok 3659
179: ok 3660
179: ok 3661
179: ok 3662
179: ok 3663
179: ok 3664
179: ok 3665
179: ok 3666
179: ok 3667
179: ok 3668
179: ok 3669
179: ok 3670
179: ok 3671
179: ok 3672
179: ok 3673
179: ok 3674
179: ok 3675
179: ok 3676
179: ok 3677
179: ok 3678
179: ok 3679
179: ok 3680
179: ok 3681
179: ok 3682
179: ok 3683
179: ok 3684
179: ok 3685
179: ok 3686
179: ok 3687
179: ok 3688
179: ok 3689
179: ok 3690
179: ok 3691
179: ok 3692
179: ok 3693
179: ok 3694
179: ok 3695
179: ok 3696
179: ok 3697
179: ok 3698
179: ok 3699
179: ok 3700
179: ok 3701
179: ok 3702
179: ok 3703
179: ok 3704
179: ok 3705
179: ok 3706
179: ok 3707
179: ok 3708
179: ok 3709
179: ok 3710
179: ok 3711
179: ok 3712
179: ok 3713
179: ok 3714
179: ok 3715
179: ok 3716
179: ok 3717
179: ok 3718
179: ok 3719
179: ok 3720
179: ok 3721
179: ok 3722
179: ok 3723
179: ok 3724
179: ok 3725
179: ok 3726
179: ok 3727
179: ok 3728
179: ok 3729
179: ok 3730
179: ok 3731
179: ok 3732
179: ok 3733
179: ok 3734
179: ok 3735
179: ok 3736
179: ok 3737
179: ok 3738
179: ok 3739
179: ok 3740
179: ok 3741
179: ok 3742
179: ok 3743
179: ok 3744
179: ok 3745
179: ok 3746
179: ok 3747
179: ok 3748
179: ok 3749
179: ok 3750
179: ok 3751
179: ok 3752
179: ok 3753
179: ok 3754
179: ok 3755
179: ok 3756
179: ok 3757
179: ok 3758
179: ok 3759
179: ok 3760
179: ok 3761
179: ok 3762
179: ok 3763
179: ok 3764
179: ok 3765
179: ok 3766
179: ok 3767
179: ok 3768
179: ok 3769
179: ok 3770
179: ok 3771
179: ok 3772
179: ok 3773
179: ok 3774
179: ok 3775
179: ok 3776
179: ok 3777
179: ok 3778
179: ok 3779
179: ok 3780
179: ok 3781
179: ok 3782
179: ok 3783
179: ok 3784
179: ok 3785
179: ok 3786
179: ok 3787
179: ok 3788
179: ok 3789
179: ok 3790
179: ok 3791
179: ok 3792
179: ok 3793
179: ok 3794
179: ok 3795
179: ok 3796
179: ok 3797
179: ok 3798
179: ok 3799
179: ok 3800
179: ok 3801
179: ok 3802
179: ok 3803
179: ok 3804
179: ok 3805
179: ok 3806
179: ok 3807
179: ok 3808
179: ok 3809
179: ok 3810
179: ok 3811
179: ok 3812
179: ok 3813
179: ok 3814
179: ok 3815
179: ok 3816
179: ok 3817
179: ok 3818
179: ok 3819
179: ok 3820
179: ok 3821
179: ok 3822
179: ok 3823
179: ok 3824
179: ok 3825
179: ok 3826
179: ok 3827
179: ok 3828
179: ok 3829
179: ok 3830
179: ok 3831
179: ok 3832
179: ok 3833
179: ok 3834
179: ok 3835
179: ok 3836
179: ok 3837
179: ok 3838
179: ok 3839
179: ok 3840
179: ok 3841
179: ok 3842
179: ok 3843
179: ok 3844
179: ok 3845
179: ok 3846
179: ok 3847
179: ok 3848
179: ok 3849
179: ok 3850
179: ok 3851
179: ok 3852
179: ok 3853
179: ok 3854
179: ok 3855
179: ok 3856
179: ok 3857
179: ok 3858
179: ok 3859
179: ok 3860
179: ok 3861
179: ok 3862
179: ok 3863
179: ok 3864
179: ok 3865
179: ok 3866
179: ok 3867
179: ok 3868
179: ok 3869
179: ok 3870
179: ok 3871
179: ok 3872
179: ok 3873
179: ok 3874
179: ok 3875
179: ok 3876
179: ok 3877
179: ok 3878
179: ok 3879
179: ok 3880
179: ok 3881
179: ok 3882
179: ok 3883
179: ok 3884
179: ok 3885
179: ok 3886
179: ok 3887
179: ok 3888
179: ok 3889
179: ok 3890
179: ok 3891
179: ok 3892
179: ok 3893
179: ok 3894
179: ok 3895
179: ok 3896
179: ok 3897
179: ok 3898
179: ok 3899
179: ok 3900
179: ok 3901
179: ok 3902
179: ok 3903
179: ok 3904
179: ok 3905
179: ok 3906
179: ok 3907
179: ok 3908
179: ok 3909
179: ok 3910
179: ok 3911
179: ok 3912
179: ok 3913
179: ok 3914
179: ok 3915
179: ok 3916
179: ok 3917
179: ok 3918
179: ok 3919
179: ok 3920
179: ok 3921
179: ok 3922
179: ok 3923
179: ok 3924
179: ok 3925
179: ok 3926
179: ok 3927
179: ok 3928
179: ok 3929
179: ok 3930
179: ok 3931
179: ok 3932
179: ok 3933
179: ok 3934
179: ok 3935
179: ok 3936
179: ok 3937
179: ok 3938
179: ok 3939
179: ok 3940
179: ok 3941
179: ok 3942
179: ok 3943
179: ok 3944
179: ok 3945
179: ok 3946
179: ok 3947
179: ok 3948
179: ok 3949
179: ok 3950
179: ok 3951
179: ok 3952
179: ok 3953
179: ok 3954
179: ok 3955
179: ok 3956
179: ok 3957
179: ok 3958
179: ok 3959
179: ok 3960
179: ok 3961
179: ok 3962
179: ok 3963
179: ok 3964
179: ok 3965
179: ok 3966
179: ok 3967
179: ok 3968
179: ok 3969
179: ok 3970
179: ok 3971
179: ok 3972
179: ok 3973
179: ok 3974
179: ok 3975
179: ok 3976
179: ok 3977
179: ok 3978
179: ok 3979
179: ok 3980
179: ok 3981
179: ok 3982
179: ok 3983
179: ok 3984
179: ok 3985
179: ok 3986
179: ok 3987
179: ok 3988
179: ok 3989
179: ok 3990
179: ok 3991
179: ok 3992
179: ok 3993
179: ok 3994
179: ok 3995
179: ok 3996
179: ok 3997
179: ok 3998
179: ok 3999
179: ok 4000
179: ok 4001
179: ok 4002
179: ok 4003
179: ok 4004
179: ok 4005
179: ok 4006
179: ok 4007
179: ok 4008
179: ok 4009
179: ok 4010
179: ok 4011
179: ok 4012
179: ok 4013
179: ok 4014
179: ok 4015
179: ok 4016
179: ok 4017
179: ok 4018
179: ok 4019
179: ok 4020
179: ok 4021
179: ok 4022
179: ok 4023
179: ok 4024
179: ok 4025
179: ok 4026
179: ok 4027
179: ok 4028
179: ok 4029
179: ok 4030
179: ok 4031
179: ok 4032
179: ok 4033
179: ok 4034
179: ok 4035
179: ok 4036
179: ok 4037
179: ok 4038
179: ok 4039
179: ok 4040
179: ok 4041
179: ok 4042
179: ok 4043
179: ok 4044
179: ok 4045
179: ok 4046
179: ok 4047
179: ok 4048
179: ok 4049
179: ok 4050
179: ok 4051
179: ok 4052
179: ok 4053
179: ok 4054
179: ok 4055
179: ok 4056
179: ok 4057
179: ok 4058
179: ok 4059
179: ok 4060
179: ok 4061
179: ok 4062
179: ok 4063
179: ok 4064
179: ok 4065
179: ok 4066
179: ok 4067
179: ok 4068
179: ok 4069
179: ok 4070
179: ok 4071
179: ok 4072
179: ok 4073
179: ok 4074
179: ok 4075
179: ok 4076
179: ok 4077
179: ok 4078
179: ok 4079
179: ok 4080
179: ok 4081
179: ok 4082
179: ok 4083
179: ok 4084
179: ok 4085
179: ok 4086
179: ok 4087
179: ok 4088
179: ok 4089
179: ok 4090
179: ok 4091
179: ok 4092
179: ok 4093
179: ok 4094
179: ok 4095
179: ok 4096
179: ok 4097
179: ok 4098
179: ok 4099
179: ok 4100
179: ok 4101
179: ok 4102
179: ok 4103
179: ok 4104
179: ok 4105
179: ok 4106
179: ok 4107
179: ok 4108
179: ok 4109
179: ok 4110
179: ok 4111
179: ok 4112
179: ok 4113
179: ok 4114
179: ok 4115
179: ok 4116
179: ok 4117
179: ok 4118
179: ok 4119
179: ok 4120
179: ok 4121
179: ok 4122
179: ok 4123
179: ok 4124
179: ok 4125
179: ok 4126
179: ok 4127
179: ok 4128
179: ok 4129
179: ok 4130
179: ok 4131
179: ok 4132
179: ok 4133
179: ok 4134
179: ok 4135
179: ok 4136
179: ok 4137
179: ok 4138
179: ok 4139
179: ok 4140
179: ok 4141
179: ok 4142
179: ok 4143
179: ok 4144
179: ok 4145
179: ok 4146
179: ok 4147
179: ok 4148
179: ok 4149
179: ok 4150
179: ok 4151
179: ok 4152
179: ok 4153
179: ok 4154
179: ok 4155
179: ok 4156
179: ok 4157
179: ok 4158
179: ok 4159
179: ok 4160
179: ok 4161
179: ok 4162
179: ok 4163
179: ok 4164
179: ok 4165
179: ok 4166
179: ok 4167
179: ok 4168
179: ok 4169
179: ok 4170
179: ok 4171
179: ok 4172
179: ok 4173
179: ok 4174
179: ok 4175
179: ok 4176
179: ok 4177
179: ok 4178
179: ok 4179
179: ok 4180
179: ok 4181
179: ok 4182
179: ok 4183
179: ok 4184
179: ok 4185
179: ok 4186
179: ok 4187
179: ok 4188
179: ok 4189
179: ok 4190
179: ok 4191
179: ok 4192
179: ok 4193
179: ok 4194
179: ok 4195
179: ok 4196
179: ok 4197
179: ok 4198
179: ok 4199
179: ok 4200
179: ok 4201
179: ok 4202
179: ok 4203
179: ok 4204
179: ok 4205
179: ok 4206
179: ok 4207
179: ok 4208
179: ok 4209
179: ok 4210
179: ok 4211
179: ok 4212
179: ok 4213
179: ok 4214
179: ok 4215
179: ok 4216
179: ok 4217
179: ok 4218
179: ok 4219
179: ok 4220
179: ok 4221
179: ok 4222
179: ok 4223
179: ok 4224
179: ok 4225
179: ok 4226
179: ok 4227
179: ok 4228
179: ok 4229
179: ok 4230
179: ok 4231
179: ok 4232
179: ok 4233
179: ok 4234
179: ok 4235
179: ok 4236
179: ok 4237
179: ok 4238
179: ok 4239
179: ok 4240
179: ok 4241
179: ok 4242
179: ok 4243
179: ok 4244
179: ok 4245
179: ok 4246
179: ok 4247
179: ok 4248
179: ok 4249
179: ok 4250
179: ok 4251
179: ok 4252
179: ok 4253
179: ok 4254
179: ok 4255
179: ok 4256
179: ok 4257
179: ok 4258
179: ok 4259
179: ok 4260
179: ok 4261
179: ok 4262
179: ok 4263
179: ok 4264
179: ok 4265
179: ok 4266
179: ok 4267
179: ok 4268
179: ok 4269
179: ok 4270
179: ok 4271
179: ok 4272
179: ok 4273
179: ok 4274
179: ok 4275
179: ok 4276
179: ok 4277
179: ok 4278
179: ok 4279
179: ok 4280
179: ok 4281
179: ok 4282
179: ok 4283
179: ok 4284
179: ok 4285
179: ok 4286
179: ok 4287
179: ok 4288
179: ok 4289
179: ok 4290
179: ok 4291
179: ok 4292
179: ok 4293
179: ok 4294
179: ok 4295
179: ok 4296
179: ok 4297
179: ok 4298
179: ok 4299
179: ok 4300
179: ok 4301
179: ok 4302
179: ok 4303
179: ok 4304
179: ok 4305
179: ok 4306
179: ok 4307
179: ok 4308
179: ok 4309
179: ok 4310
179: ok 4311
179: ok 4312
179: ok 4313
179: ok 4314
179: ok 4315
179: ok 4316
179: ok 4317
179: ok 4318
179: ok 4319
179: ok 4320
179: ok 4321
179: ok 4322
179: ok 4323
179: ok 4324
179: ok 4325
179: ok 4326
179: ok 4327
179: ok 4328
179: ok 4329
179: ok 4330
179: ok 4331
179: ok 4332
179: ok 4333
179: ok 4334
179: ok 4335
179: ok 4336
179: ok 4337
179: ok 4338
179: ok 4339
179: ok 4340
179: ok 4341
179: ok 4342
179: ok 4343
179: ok 4344
179: ok 4345
179: ok 4346
179: ok 4347
179: ok 4348
179: ok 4349
179: ok 4350
179: ok 4351
179: ok 4352
179: ok 4353
179: ok 4354
179: ok 4355
179: ok 4356
179: ok 4357
179: ok 4358
179: ok 4359
179: ok 4360
179: ok 4361
179: ok 4362
179: ok 4363
179: ok 4364
179: ok 4365
179: ok 4366
179: ok 4367
179: ok 4368
179: ok 4369
179: ok 4370
179: ok 4371
179: ok 4372
179: ok 4373
179: ok 4374
179: ok 4375
179: ok 4376
179: ok 4377
179: ok 4378
179: ok 4379
179: ok 4380
179: ok 4381
179: ok 4382
179: ok 4383
179: ok 4384
179: ok 4385
179: ok 4386
179: ok 4387
179: ok 4388
179: ok 4389
179: ok 4390
179: ok 4391
179: ok 4392
179: ok 4393
179: ok 4394
179: ok 4395
179: ok 4396
179: ok 4397
179: ok 4398
179: ok 4399
179: ok 4400
179: ok 4401
179: ok 4402
179: ok 4403
179: ok 4404
179: ok 4405
179: ok 4406
179: ok 4407
179: ok 4408
179: ok 4409
179: ok 4410
179: ok 4411
179: ok 4412
179: ok 4413
179: ok 4414
179: ok 4415
179: ok 4416
179: ok 4417
179: ok 4418
179: ok 4419
179: ok 4420
179: ok 4421
179: ok 4422
179: ok 4423
179: ok 4424
179: ok 4425
179: ok 4426
179: ok 4427
179: ok 4428
179: ok 4429
179: ok 4430
179: ok 4431
179: ok 4432
179: ok 4433
179: ok 4434
179: ok 4435
179: ok 4436
179: ok 4437
179: ok 4438
179: ok 4439
179: ok 4440
179: ok 4441
179: ok 4442
179: ok 4443
179: ok 4444
179: ok 4445
179: ok 4446
179: ok 4447
179: ok 4448
179: ok 4449
179: ok 4450
179: ok 4451
179: ok 4452
179: ok 4453
179: ok 4454
179: ok 4455
179: ok 4456
179: ok 4457
179: ok 4458
179: ok 4459
179: ok 4460
179: ok 4461
179: ok 4462
179: ok 4463
179: ok 4464
179: ok 4465
179: ok 4466
179: ok 4467
179: ok 4468
179: ok 4469
179: ok 4470
179: ok 4471
179: ok 4472
179: ok 4473
179: ok 4474
179: ok 4475
179: ok 4476
179: ok 4477
179: ok 4478
179: ok 4479
179: ok 4480
179: ok 4481
179: ok 4482
179: ok 4483
179: ok 4484
179: ok 4485
179: ok 4486
179: ok 4487
179: ok 4488
179: ok 4489
179: ok 4490
179: ok 4491
179: ok 4492
179: ok 4493
179: ok 4494
179: ok 4495
179: ok 4496
179: ok 4497
179: ok 4498
179: ok 4499
179: ok 4500
179: ok 4501
179: ok 4502
179: ok 4503
179: ok 4504
179: ok 4505
179: ok 4506
179: ok 4507
179: ok 4508
179: ok 4509
179: ok 4510
179: ok 4511
179: ok 4512
179: ok 4513
179: ok 4514
179: ok 4515
179: ok 4516
179: ok 4517
179: ok 4518
179: ok 4519
179: ok 4520
179: ok 4521
179: ok 4522
179: ok 4523
179: ok 4524
179: ok 4525
179: ok 4526
179: ok 4527
179: ok 4528
179: ok 4529
179: ok 4530
179: ok 4531
179: ok 4532
179: ok 4533
179: ok 4534
179: ok 4535
179: ok 4536
179: ok 4537
179: ok 4538
179: ok 4539
179: ok 4540
179: ok 4541
179: ok 4542
179: ok 4543
179: ok 4544
179: ok 4545
179: ok 4546
179: ok 4547
179: ok 4548
179: ok 4549
179: ok 4550
179: ok 4551
179: ok 4552
179: ok 4553
179: ok 4554
179: ok 4555
179: ok 4556
179: ok 4557
179: ok 4558
179: ok 4559
179: ok 4560
179: ok 4561
179: ok 4562
179: ok 4563
179: ok 4564
179: ok 4565
179: ok 4566
179: ok 4567
179: ok 4568
179: ok 4569
179: ok 4570
179: ok 4571
179: ok 4572
179: ok 4573
179: ok 4574
179: ok 4575
179: ok 4576
179: ok 4577
179: ok 4578
179: ok 4579
179: ok 4580
179: ok 4581
179: ok 4582
179: ok 4583
179: ok 4584
179: ok 4585
179: ok 4586
179: ok 4587
179: ok 4588
179: ok 4589
179: ok 4590
179: ok 4591
179: ok 4592
179: ok 4593
179: ok 4594
179: ok 4595
179: ok 4596
179: ok 4597
179: ok 4598
179: ok 4599
179: ok 4600
179: ok 4601
179: ok 4602
179: ok 4603
179: ok 4604
179: ok 4605
179: ok 4606
179: ok 4607
179: ok 4608
179: ok 4609
179: ok 4610
179: ok 4611
179: ok 4612
179: ok 4613
179: ok 4614
179: ok 4615
179: ok 4616
179: ok 4617
179: ok 4618
179: ok 4619
179: ok 4620
179: ok 4621
179: ok 4622
179: ok 4623
179: ok 4624
179: ok 4625
179: ok 4626
179: ok 4627
179: ok 4628
179: ok 4629
179: ok 4630
179: ok 4631
179: ok 4632
179: ok 4633
179: ok 4634
179: ok 4635
179: ok 4636
179: ok 4637
179: ok 4638
179: ok 4639
179: ok 4640
179: ok 4641
179: ok 4642
179: ok 4643
179: ok 4644
179: ok 4645
179: ok 4646
179: ok 4647
179: ok 4648
179: ok 4649
179: ok 4650
179: ok 4651
179: ok 4652
179: ok 4653
179: ok 4654
179: ok 4655
179: ok 4656
179: ok 4657
179: ok 4658
179: ok 4659
179: ok 4660
179: ok 4661
179: ok 4662
179: ok 4663
179: ok 4664
179: ok 4665
179: ok 4666
179: ok 4667
179: ok 4668
179: ok 4669
179: ok 4670
179: ok 4671
179: ok 4672
179: ok 4673
179: ok 4674
179: ok 4675
179: ok 4676
179: ok 4677
179: ok 4678
179: ok 4679
179: ok 4680
179: ok 4681
179: ok 4682
179: ok 4683
179: ok 4684
179: ok 4685
179: ok 4686
179: ok 4687
179: ok 4688
179: ok 4689
179: ok 4690
179: ok 4691
179: ok 4692
179: ok 4693
179: ok 4694
179: ok 4695
179: ok 4696
179: ok 4697
179: ok 4698
179: ok 4699
179: ok 4700
179: ok 4701
179: ok 4702
179: ok 4703
179: ok 4704
179: ok 4705
179: ok 4706
179: ok 4707
179: ok 4708
179: ok 4709
179: ok 4710
179: ok 4711
179: ok 4712
179: ok 4713
179: ok 4714
179: ok 4715
179: ok 4716
179: ok 4717
179: ok 4718
179: ok 4719
179: ok 4720
179: ok 4721
179: ok 4722
179: ok 4723
179: ok 4724
179: ok 4725
179: ok 4726
179: ok 4727
179: ok 4728
179: ok 4729
179: ok 4730
179: ok 4731
179: ok 4732
179: ok 4733
179: ok 4734
179: ok 4735
179: ok 4736
179: ok 4737
179: ok 4738
179: ok 4739
179: ok 4740
179: ok 4741
179: ok 4742
179: ok 4743
179: ok 4744
179: ok 4745
179: ok 4746
179: ok 4747
179: ok 4748
179: ok 4749
179: ok 4750
179: ok 4751
179: ok 4752
179: ok 4753
179: ok 4754
179: ok 4755
179: ok 4756
179: ok 4757
179: ok 4758
179: ok 4759
179: ok 4760
179: ok 4761
179: ok 4762
179: ok 4763
179: ok 4764
179: ok 4765
179: ok 4766
179: ok 4767
179: ok 4768
179: ok 4769
179: ok 4770
179: ok 4771
179: ok 4772
179: ok 4773
179: ok 4774
179: ok 4775
179: ok 4776
179: ok 4777
179: ok 4778
179: ok 4779
179: ok 4780
179: ok 4781
179: ok 4782
179: ok 4783
179: ok 4784
179: ok 4785
179: ok 4786
179: ok 4787
179: ok 4788
179: ok 4789
179: ok 4790
179: ok 4791
179: ok 4792
179: ok 4793
179: ok 4794
179: ok 4795
179: ok 4796
179: ok 4797
179: ok 4798
179: ok 4799
179: ok 4800
179: ok 4801
179: ok 4802
179: ok 4803
179: ok 4804
179: ok 4805
179: ok 4806
179: ok 4807
179: ok 4808
179: ok 4809
179: ok 4810
179: ok 4811
179: ok 4812
179: ok 4813
179: ok 4814
179: ok 4815
179: ok 4816
179: ok 4817
179: ok 4818
179: ok 4819
179: ok 4820
179: ok 4821
179: ok 4822
179: ok 4823
179: ok 4824
179: ok 4825
179: ok 4826
179: ok 4827
179: ok 4828
179: ok 4829
179: ok 4830
179: ok 4831
179: ok 4832
179: ok 4833
179: ok 4834
179: ok 4835
179: ok 4836
179: ok 4837
179: ok 4838
179: ok 4839
179: ok 4840
179: ok 4841
179: ok 4842
179: ok 4843
179: ok 4844
179: ok 4845
179: ok 4846
179: ok 4847
179: ok 4848
179: ok 4849
179: ok 4850
179: ok 4851
179: ok 4852
179: ok 4853
179: ok 4854
179: ok 4855
179: ok 4856
179: ok 4857
179: ok 4858
179: ok 4859
179: ok 4860
179: ok 4861
179: ok 4862
179: ok 4863
179: ok 4864
179: ok 4865
179: ok 4866
179: ok 4867
179: ok 4868
179: ok 4869
179: ok 4870
179: ok 4871
179: ok 4872
179: ok 4873
179: ok 4874
179: ok 4875
179: ok 4876
179: ok 4877
179: ok 4878
179: ok 4879
179: ok 4880
179: ok 4881
179: ok 4882
179: ok 4883
179: ok 4884
179: ok 4885
179: ok 4886
179: ok 4887
179: ok 4888
179: ok 4889
179: ok 4890
179: ok 4891
179: ok 4892
179: ok 4893
179: ok 4894
179: ok 4895
179: ok 4896
179: ok 4897
179: ok 4898
179: ok 4899
179: ok 4900
179: ok 4901
179: ok 4902
179: ok 4903
179: ok 4904
179: ok 4905
179: ok 4906
179: ok 4907
179: ok 4908
179: ok 4909
179: ok 4910
179: ok 4911
179: ok 4912
179: ok 4913
179: ok 4914
179: ok 4915
179: ok 4916
179: ok 4917
179: ok 4918
179: ok 4919
179: ok 4920
179: ok 4921
179: ok 4922
179: ok 4923
179: ok 4924
179: ok 4925
179: ok 4926
179: ok 4927
179: ok 4928
179: ok 4929
179: ok 4930
179: ok 4931
179: ok 4932
179: ok 4933
179: ok 4934
179: ok 4935
179: ok 4936
179: ok 4937
179: ok 4938
179: ok 4939
179: ok 4940
179: ok 4941
179: ok 4942
179: ok 4943
179: ok 4944
179: ok 4945
179: ok 4946
179: ok 4947
179: ok 4948
179: ok 4949
179: ok 4950
179: ok 4951
179: ok 4952
179: ok 4953
179: ok 4954
179: ok 4955
179: ok 4956
179: ok 4957
179: ok 4958
179: ok 4959
179: ok 4960
179: ok 4961
179: ok 4962
179: ok 4963
179: ok 4964
179: ok 4965
179: ok 4966
179: ok 4967
179: ok 4968
179: ok 4969
179: ok 4970
179: ok 4971
179: ok 4972
179: ok 4973
179: ok 4974
179: ok 4975
179: ok 4976
179: ok 4977
179: ok 4978
179: ok 4979
179: ok 4980
179: ok 4981
179: ok 4982
179: ok 4983
179: ok 4984
179: ok 4985
179: ok 4986
179: ok 4987
179: ok 4988
179: ok 4989
179: ok 4990
179: ok 4991
179: ok 4992
179: ok 4993
179: ok 4994
179: ok 4995
179: ok 4996
179: ok 4997
179: ok 4998
179: ok 4999
179: ok 5000
179: ok 5001
179: ok 5002
179: ok 5003
179: ok 5004
179: ok 5005
179: ok 5006
179: ok 5007
179: ok 5008
179: ok 5009
179: ok 5010
179: ok 5011
179: ok 5012
179: ok 5013
179: ok 5014
179: ok 5015
179: ok 5016
179: ok 5017
179: ok 5018
179: ok 5019
179: ok 5020
179: ok 5021
179: ok 5022
179: ok 5023
179: ok 5024
179: ok 5025
179: ok 5026
179: ok 5027
179: ok 5028
179: ok 5029
179: ok 5030
179: ok 5031
179: ok 5032
179: ok 5033
179: ok 5034
179: ok 5035
179: ok 5036
179: ok 5037
179: ok 5038
179: ok 5039
179: ok 5040
179: ok 5041
179: ok 5042
179: ok 5043
179: ok 5044
179: ok 5045
179: ok 5046
179: ok 5047
179: ok 5048
179: ok 5049
179: ok 5050
179: ok 5051
179: ok 5052
179: ok 5053
179: ok 5054
179: ok 5055
179: ok 5056
179: ok 5057
179: ok 5058
179: ok 5059
179: ok 5060
179: ok 5061
179: ok 5062
179: ok 5063
179: ok 5064
179: ok 5065
179: ok 5066
179: ok 5067
179: ok 5068
179: ok 5069
179: ok 5070
179: ok 5071
179: ok 5072
179: ok 5073
179: ok 5074
179: ok 5075
179: ok 5076
179: ok 5077
179: ok 5078
179: ok 5079
179: ok 5080
179: ok 5081
179: ok 5082
179: ok 5083
179: ok 5084
179: ok 5085
179: ok 5086
179: ok 5087
179: ok 5088
179: ok 5089
179: ok 5090
179: ok 5091
179: ok 5092
179: ok 5093
179: ok 5094
179: ok 5095
179: ok 5096
179: ok 5097
179: ok 5098
179: ok 5099
179: ok 5100
179: ok 5101
179: ok 5102
179: ok 5103
179: ok 5104
179: ok 5105
179: ok 5106
179: ok 5107
179: ok 5108
179: ok 5109
179: ok 5110
179: ok 5111
179: ok 5112
179: ok 5113
179: ok 5114
179: ok 5115
179: ok 5116
179: ok 5117
179: ok 5118
179: ok 5119
179: ok 5120
179: ok 5121
179: ok 5122
179: ok 5123
179: ok 5124
179: ok 5125
179: ok 5126
179: ok 5127
179: ok 5128
179: ok 5129
179: ok 5130
179: ok 5131
179: ok 5132
179: ok 5133
179: ok 5134
179: ok 5135
179: ok 5136
179: ok 5137
179: ok 5138
179: ok 5139
179: ok 5140
179: ok 5141
179: ok 5142
179: ok 5143
179: ok 5144
179: ok 5145
179: ok 5146
179: ok 5147
179: ok 5148
179: ok 5149
179: ok 5150
179: ok 5151
179: ok 5152
179: ok 5153
179: ok 5154
179: ok 5155
179: ok 5156
179: ok 5157
179: ok 5158
179: ok 5159
179: ok 5160
179: ok 5161
179: ok 5162
179: ok 5163
179: ok 5164
179: ok 5165
179: ok 5166
179: ok 5167
179: ok 5168
179: ok 5169
179: ok 5170
179: ok 5171
179: ok 5172
179: ok 5173
179: ok 5174
179: ok 5175
179: ok 5176
179: ok 5177
179: ok 5178
179: ok 5179
179: ok 5180
179: ok 5181
179: ok 5182
179: ok 5183
179: ok 5184
179: ok 5185
179: ok 5186
179: ok 5187
179: ok 5188
179: ok 5189
179: ok 5190
179: ok 5191
179: ok 5192
179: ok 5193
179: ok 5194
179: ok 5195
179: ok 5196
179: ok 5197
179: ok 5198
179: ok 5199
179: ok 5200
179: ok 5201
179: ok 5202
179: ok 5203
179: ok 5204
179: ok 5205
179: ok 5206
179: ok 5207
179: ok 5208
179: ok 5209
179: ok 5210
179: ok 5211
179: ok 5212
179: ok 5213
179: ok 5214
179: ok 5215
179: ok 5216
179: ok 5217
179: ok 5218
179: ok 5219
179: ok 5220
179: ok 5221
179: ok 5222
179: ok 5223
179: ok 5224
179: ok 5225
179: ok 5226
179: ok 5227
179: ok 5228
179: ok 5229
179: ok 5230
179: ok 5231
179: ok 5232
179: ok 5233
179: ok 5234
179: ok 5235
179: ok 5236
179: ok 5237
179: ok 5238
179: ok 5239
179: ok 5240
179: ok 5241
179: ok 5242
179: ok 5243
179: ok 5244
179: ok 5245
179: ok 5246
179: ok 5247
179: ok 5248
179: ok 5249
179: ok 5250
179: ok 5251
179: ok 5252
179: ok 5253
179: ok 5254
179: ok 5255
179: ok 5256
179: ok 5257
179: ok 5258
179: ok 5259
179: ok 5260
179: ok 5261
179: ok 5262
179: ok 5263
179: ok 5264
179: ok 5265
179: ok 5266
179: ok 5267
179: ok 5268
179: ok 5269
179: ok 5270
179: ok 5271
179: ok 5272
179: ok 5273
179: ok 5274
179: ok 5275
179: ok 5276
179: ok 5277
179: ok 5278
179: ok 5279
179: ok 5280
179: ok 5281
179: ok 5282
179: ok 5283
179: ok 5284
179: ok 5285
179: ok 5286
179: ok 5287
179: ok 5288
179: ok 5289
179: ok 5290
179: ok 5291
179: ok 5292
179: ok 5293
179: ok 5294
179: ok 5295
179: ok 5296
179: ok 5297
179: ok 5298
179: ok 5299
179: ok 5300
179: ok 5301
179: ok 5302
179: ok 5303
179: ok 5304
179: ok 5305
179: ok 5306
179: ok 5307
179: ok 5308
179: ok 5309
179: ok 5310
179: ok 5311
179: ok 5312
179: ok 5313
179: ok 5314
179: ok 5315
179: ok 5316
179: ok 5317
179: ok 5318
179: ok 5319
179: ok 5320
179: ok 5321
179: ok 5322
179: ok 5323
179: ok 5324
179: ok 5325
179: ok 5326
179: ok 5327
179: ok 5328
179: ok 5329
179: ok 5330
179: ok 5331
179: ok 5332
179: ok 5333
179: ok 5334
179: ok 5335
179: ok 5336
179: ok 5337
179: ok 5338
179: ok 5339
179: ok 5340
179: ok 5341
179: ok 5342
179: ok 5343
179: ok 5344
179: ok 5345
179: ok 5346
179: ok 5347
179: ok 5348
179: ok 5349
179: ok 5350
179: ok 5351
179: ok 5352
179: ok 5353
179: ok 5354
179: ok 5355
179: ok 5356
179: ok 5357
179: ok 5358
179: ok 5359
179: ok 5360
179: ok 5361
179: ok 5362
179: ok 5363
179: ok 5364
179: ok 5365
179: ok 5366
179: ok 5367
179: ok 5368
179: ok 5369
179: ok 5370
179: ok 5371
179: ok 5372
179: ok 5373
179: ok 5374
179: ok 5375
179: ok 5376
179: ok 5377
179: ok 5378
179: ok 5379
179: ok 5380
179: ok 5381
179: ok 5382
179: ok 5383
179: ok 5384
179: ok 5385
179: ok 5386
179: ok 5387
179: ok 5388
179: ok 5389
179: ok 5390
179: ok 5391
179: ok 5392
179: ok 5393
179: ok 5394
179: ok 5395
179: ok 5396
179: ok 5397
179: ok 5398
179: ok 5399
179: ok 5400
179: ok 5401
179: ok 5402
179: ok 5403
179: ok 5404
179: ok 5405
179: ok 5406
179: ok 5407
179: ok 5408
179: ok 5409
179: ok 5410
179: ok 5411
179: ok 5412
179: ok 5413
179: ok 5414
179: ok 5415
179: ok 5416
179: ok 5417
179: ok 5418
179: ok 5419
179: ok 5420
179: ok 5421
179: ok 5422
179: ok 5423
179: ok 5424
179: ok 5425
179: ok 5426
179: ok 5427
179: ok 5428
179: ok 5429
179: ok 5430
179: ok 5431
179: ok 5432
179: ok 5433
179: ok 5434
179: ok 5435
179: ok 5436
179: ok 5437
179: ok 5438
179: ok 5439
179: ok 5440
179: ok 5441
179: ok 5442
179: ok 5443
179: ok 5444
179: ok 5445
179: ok 5446
179: ok 5447
179: ok 5448
179: ok 5449
179: ok 5450
179: ok 5451
179: ok 5452
179: ok 5453
179: ok 5454
179: ok 5455
179: ok 5456
179: ok 5457
179: ok 5458
179: ok 5459
179: ok 5460
179: ok 5461
179: ok 5462
179: ok 5463
179: ok 5464
179: ok 5465
179: ok 5466
179: ok 5467
179: ok 5468
179: ok 5469
179: ok 5470
179: ok 5471
179: ok 5472
179: ok 5473
179: ok 5474
179: ok 5475
179: ok 5476
179: ok 5477
179: ok 5478
179: ok 5479
179: ok 5480
179: ok 5481
179: ok 5482
179: ok 5483
179: ok 5484
179: ok 5485
179: ok 5486
179: ok 5487
179: ok 5488
179: ok 5489
179: ok 5490
179: ok 5491
179: ok 5492
179: ok 5493
179: ok 5494
179: ok 5495
179: ok 5496
179: ok 5497
179: ok 5498
179: ok 5499
179: ok 5500
179: ok 5501
179: ok 5502
179: ok 5503
179: ok 5504
179: ok 5505
179: ok 5506
179: ok 5507
179: ok 5508
179: ok 5509
179: ok 5510
179: ok 5511
179: ok 5512
179: ok 5513
179: ok 5514
179: ok 5515
179: ok 5516
179: ok 5517
179: ok 5518
179: ok 5519
179: ok 5520
179: ok 5521
179: ok 5522
179: ok 5523
179: ok 5524
179: ok 5525
179: ok 5526
179: ok 5527
179: ok 5528
179: ok 5529
179: ok 5530
179: ok 5531
179: ok 5532
179: ok 5533
179: ok 5534
179: ok 5535
179: ok 5536
179: ok 5537
179: ok 5538
179: ok 5539
179: ok 5540
179: ok 5541
179: ok 5542
179: ok 5543
179: ok 5544
179: ok 5545
179: ok 5546
179: ok 5547
179: ok 5548
179: ok 5549
179: ok 5550
179: ok 5551
179: ok 5552
179: ok 5553
179: ok 5554
179: ok 5555
179: ok 5556
179: ok 5557
179: ok 5558
179: ok 5559
179: ok 5560
179: ok 5561
179: ok 5562
179: ok 5563
179: ok 5564
179: ok 5565
179: ok 5566
179: ok 5567
179: ok 5568
179: ok 5569
179: ok 5570
179: ok 5571
179: ok 5572
179: ok 5573
179: ok 5574
179: ok 5575
179: ok 5576
179: ok 5577
179: ok 5578
179: ok 5579
179: ok 5580
179: ok 5581
179: ok 5582
179: ok 5583
179: ok 5584
179: ok 5585
179: ok 5586
179: ok 5587
179: ok 5588
179: ok 5589
179: ok 5590
179: ok 5591
179: ok 5592
179: ok 5593
179: ok 5594
179: ok 5595
179: ok 5596
179: ok 5597
179: ok 5598
179: ok 5599
179: ok 5600
179: ok 5601
179: ok 5602
179: ok 5603
179: ok 5604
179: ok 5605
179: ok 5606
179: ok 5607
179: ok 5608
179: ok 5609
179: ok 5610
179: ok 5611
179: ok 5612
179: ok 5613
179: ok 5614
179: ok 5615
179: ok 5616
179: ok 5617
179: ok 5618
179: ok 5619
179: ok 5620
179: ok 5621
179: ok 5622
179: ok 5623
179: ok 5624
179: ok 5625
179: ok 5626
179: ok 5627
179: ok 5628
179: ok 5629
179: ok 5630
179: ok 5631
179: ok 5632
179: ok 5633
179: ok 5634
179: ok 5635
179: ok 5636
179: ok 5637
179: ok 5638
179: ok 5639
179: ok 5640
179: ok 5641
179: ok 5642
179: ok 5643
179: ok 5644
179: ok 5645
179: ok 5646
179: ok 5647
179: ok 5648
179: ok 5649
179: ok 5650
179: ok 5651
179: ok 5652
179: ok 5653
179: ok 5654
179: ok 5655
179: ok 5656
179: ok 5657
179: ok 5658
179: ok 5659
179: ok 5660
179: ok 5661
179: ok 5662
179: ok 5663
179: ok 5664
179: ok 5665
179: ok 5666
179: ok 5667
179: ok 5668
179: ok 5669
179: ok 5670
179: ok 5671
179: ok 5672
179: ok 5673
179: ok 5674
179: ok 5675
179: ok 5676
179: ok 5677
179: ok 5678
179: ok 5679
179: ok 5680
179: ok 5681
179: ok 5682
179: ok 5683
179: ok 5684
179: ok 5685
179: ok 5686
179: ok 5687
179: ok 5688
179: ok 5689
179: ok 5690
179: ok 5691
179: ok 5692
179: ok 5693
179: ok 5694
179: ok 5695
179: ok 5696
179: ok 5697
179: ok 5698
179: ok 5699
179: ok 5700
179: ok 5701
179: ok 5702
179: ok 5703
179: ok 5704
179: ok 5705
179: ok 5706
179: ok 5707
179: ok 5708
179: ok 5709
179: ok 5710
179: ok 5711
179: ok 5712
179: ok 5713
179: ok 5714
179: ok 5715
179: ok 5716
179: ok 5717
179: ok 5718
179: ok 5719
179: ok 5720
179: ok 5721
179: ok 5722
179: ok 5723
179: ok 5724
179: ok 5725
179: ok 5726
179: ok 5727
179: ok 5728
179: ok 5729
179: ok 5730
179: ok 5731
179: ok 5732
179: ok 5733
179: ok 5734
179: ok 5735
179: ok 5736
179: ok 5737
179: ok 5738
179: ok 5739
179: ok 5740
179: ok 5741
179: ok 5742
179: ok 5743
179: ok 5744
179: ok 5745
179: ok 5746
179: ok 5747
179: ok 5748
179: ok 5749
179: ok 5750
179: ok 5751
179: ok 5752
179: ok 5753
179: ok 5754
179: ok 5755
179: ok 5756
179: ok 5757
179: ok 5758
179: ok 5759
179: ok 5760
179: ok 5761
179: ok 5762
179: ok 5763
179: ok 5764
179: ok 5765
179: ok 5766
179: ok 5767
179: ok 5768
179: ok 5769
179: ok 5770
179: ok 5771
179: ok 5772
179: ok 5773
179: ok 5774
179: ok 5775
179: ok 5776
179: ok 5777
179: ok 5778
179: ok 5779
179: ok 5780
179: ok 5781
179: ok 5782
179: ok 5783
179: ok 5784
179: ok 5785
179: ok 5786
179: ok 5787
179: ok 5788
179: ok 5789
179: ok 5790
179: ok 5791
179: ok 5792
179: ok 5793
179: ok 5794
179: ok 5795
179: ok 5796
179: ok 5797
179: ok 5798
179: ok 5799
179: ok 5800
179: ok 5801
179: ok 5802
179: ok 5803
179: ok 5804
179: ok 5805
179: ok 5806
179: ok 5807
179: ok 5808
179: ok 5809
179: ok 5810
179: ok 5811
179: ok 5812
179: ok 5813
179: ok 5814
179: ok 5815
179: ok 5816
179: ok 5817
179: ok 5818
179: ok 5819
179: ok 5820
179: ok 5821
179: ok 5822
179: ok 5823
179: ok 5824
179: ok 5825
179: ok 5826
179: ok 5827
179: ok 5828
179: ok 5829
179: ok 5830
179: ok 5831
179: ok 5832
179: ok 5833
179: ok 5834
179: ok 5835
179: ok 5836
179: ok 5837
179: ok 5838
179: ok 5839
179: ok 5840
179: ok 5841
179: ok 5842
179: ok 5843
179: ok 5844
179: ok 5845
179: ok 5846
179: ok 5847
179: ok 5848
179: ok 5849
179: ok 5850
179: ok 5851
179: ok 5852
179: ok 5853
179: ok 5854
179: ok 5855
179: ok 5856
179: ok 5857
179: ok 5858
179: ok 5859
179: ok 5860
179: ok 5861
179: ok 5862
179: ok 5863
179: ok 5864
179: ok 5865
179: ok 5866
179: ok 5867
179: ok 5868
179: ok 5869
179: ok 5870
179: ok 5871
179: ok 5872
179: ok 5873
179: ok 5874
179: ok 5875
179: ok 5876
179: ok 5877
179: ok 5878
179: ok 5879
179: ok 5880
179: ok 5881
179: ok 5882
179: ok 5883
179: ok 5884
179: ok 5885
179: ok 5886
179: ok 5887
179: ok 5888
179: ok 5889
179: ok 5890
179: ok 5891
179: ok 5892
179: ok 5893
179: ok 5894
179: ok 5895
179: ok 5896
179: ok 5897
179: ok 5898
179: ok 5899
179: ok 5900
179: ok 5901
179: ok 5902
179: ok 5903
179: ok 5904
179: ok 5905
179: ok 5906
179: ok 5907
179: ok 5908
179: ok 5909
179: ok 5910
179: ok 5911
179: ok 5912
179: ok 5913
179: ok 5914
179: ok 5915
179: ok 5916
179: ok 5917
179: ok 5918
179: ok 5919
179: ok 5920
179: ok 5921
179: ok 5922
179: ok 5923
179: ok 5924
179: ok 5925
179: ok 5926
179: ok 5927
179: ok 5928
179: ok 5929
179: ok 5930
179: ok 5931
179: ok 5932
179: ok 5933
179: ok 5934
179: ok 5935
179: ok 5936
179: ok 5937
179: ok 5938
179: ok 5939
179: ok 5940
179: ok 5941
179: ok 5942
179: ok 5943
179: ok 5944
179: ok 5945
179: ok 5946
179: ok 5947
179: ok 5948
179: ok 5949
179: ok 5950
179: ok 5951
179: ok 5952
179: ok 5953
179: ok 5954
179: ok 5955
179: ok 5956
179: ok 5957
179: ok 5958
179: ok 5959
179: ok 5960
179: ok 5961
179: ok 5962
179: ok 5963
179: ok 5964
179: ok 5965
179: ok 5966
179: ok 5967
179: ok 5968
179: ok 5969
179: ok 5970
179: ok 5971
179: ok 5972
179: ok 5973
179: ok 5974
179: ok 5975
179: ok 5976
179: ok 5977
179: ok 5978
179: ok 5979
179: ok 5980
179: ok 5981
179: ok 5982
179: ok 5983
179: ok 5984
179: ok 5985
179: ok 5986
179: ok 5987
179: ok 5988
179: ok 5989
179: ok 5990
179: ok 5991
179: ok 5992
179: ok 5993
179: ok 5994
179: ok 5995
179: ok 5996
179: ok 5997
179: ok 5998
179: ok 5999
179: ok 6000
179: ok 6001
179: ok 6002
179: ok 6003
179: ok 6004
179: ok 6005
179: ok 6006
179: ok 6007
179: ok 6008
179: ok 6009
179: ok 6010
179: ok 6011
179: ok 6012
179: ok 6013
179: ok 6014
179: ok 6015
179: ok 6016
179: ok 6017
179: ok 6018
179: ok 6019
179: ok 6020
179: ok 6021
179: ok 6022
179: ok 6023
179: ok 6024
179: ok 6025
179: ok 6026
179: ok 6027
179: ok 6028
179: ok 6029
179: ok 6030
179: ok 6031
179: ok 6032
179: ok 6033
179: ok 6034
179: ok 6035
179: ok 6036
179: ok 6037
179: ok 6038
179: ok 6039
179: ok 6040
179: ok 6041
179: ok 6042
179: ok 6043
179: ok 6044
179: ok 6045
179: ok 6046
179: ok 6047
179: ok 6048
179: ok 6049
179: ok 6050
179: ok 6051
179: ok 6052
179: ok 6053
179: ok 6054
179: ok 6055
179: ok 6056
179: ok 6057
179: ok 6058
179: ok 6059
179: ok 6060
179: ok 6061
179: ok 6062
179: ok 6063
179: ok 6064
179: ok 6065
179: ok 6066
179: ok 6067
179: ok 6068
179: ok 6069
179: ok 6070
179: ok 6071
179: ok 6072
179: ok 6073
179: ok 6074
179: ok 6075
179: ok 6076
179: ok 6077
179: ok 6078
179: ok 6079
179: ok 6080
179: ok 6081
179: ok 6082
179: ok 6083
179: ok 6084
179: ok 6085
179: ok 6086
179: ok 6087
179: ok 6088
179: ok 6089
179: ok 6090
179: ok 6091
179: ok 6092
179: ok 6093
179: ok 6094
179: ok 6095
179: ok 6096
179: ok 6097
179: ok 6098
179: ok 6099
179: ok 6100
179: ok 6101
179: ok 6102
179: ok 6103
179: ok 6104
179: ok 6105
179: ok 6106
179: ok 6107
179: ok 6108
179: ok 6109
179: ok 6110
179: ok 6111
179: ok 6112
179: ok 6113
179: ok 6114
179: ok 6115
179: ok 6116
179: ok 6117
179: ok 6118
179: ok 6119
179: ok 6120
179: ok 6121
179: ok 6122
179: ok 6123
179: ok 6124
179: ok 6125
179: ok 6126
179: ok 6127
179: ok 6128
179: ok 6129
179: ok 6130
179: ok 6131
179: ok 6132
179: ok 6133
179: ok 6134
179: ok 6135
179: ok 6136
179: ok 6137
179: ok 6138
179: ok 6139
179: ok 6140
179: ok 6141
179: ok 6142
179: ok 6143
179: ok 6144
179: ok 6145
179: ok 6146
179: ok 6147
179: ok 6148
179: ok 6149
179: ok 6150
179: ok 6151
179: ok 6152
179: ok 6153
179: ok 6154
179: ok 6155
179: ok 6156
179: ok 6157
179: ok 6158
179: ok 6159
179: ok 6160
179: ok 6161
179: ok 6162
179: ok 6163
179: ok 6164
179: ok 6165
179: ok 6166
179: ok 6167
179: ok 6168
179: ok 6169
179: ok 6170
179: ok 6171
179: ok 6172
179: ok 6173
179: ok 6174
179: ok 6175
179: ok 6176
179: ok 6177
179: ok 6178
179: ok 6179
179: ok 6180
179: ok 6181
179: ok 6182
179: ok 6183
179: ok 6184
179: ok 6185
179: ok 6186
179: ok 6187
179: ok 6188
179: ok 6189
179: ok 6190
179: ok 6191
179: ok 6192
179: ok 6193
179: ok 6194
179: ok 6195
179: ok 6196
179: ok 6197
179: ok 6198
179: ok 6199
179: ok 6200
179: ok 6201
179: ok 6202
179: ok 6203
179: ok 6204
179: ok 6205
179: ok 6206
179: ok 6207
179: ok 6208
179: ok 6209
179: ok 6210
179: ok 6211
179: ok 6212
179: ok 6213
179: ok 6214
179: ok 6215
179: ok 6216
179: ok 6217
179: ok 6218
179: ok 6219
179: ok 6220
179: ok 6221
179: ok 6222
179: ok 6223
179: ok 6224
179: ok 6225
179: ok 6226
179: ok 6227
179: ok 6228
179: ok 6229
179: ok 6230
179: ok 6231
179: ok 6232
179: ok 6233
179: ok 6234
179: ok 6235
179: ok 6236
179: ok 6237
179: ok 6238
179: ok 6239
179: ok 6240
179: ok 6241
179: ok 6242
179: ok 6243
179: ok 6244
179: ok 6245
179: ok 6246
179: ok 6247
179: ok 6248
179: ok 6249
179: ok 6250
179: ok 6251
179: ok 6252
179: ok 6253
179: ok 6254
179: ok 6255
179: ok 6256
179: ok 6257
179: ok 6258
179: ok 6259
179: ok 6260
179: ok 6261
179: ok 6262
179: ok 6263
179: ok 6264
179: ok 6265
179: ok 6266
179: ok 6267
179: ok 6268
179: ok 6269
179: ok 6270
179: ok 6271
179: ok 6272
179: ok 6273
179: ok 6274
179: ok 6275
179: ok 6276
179: ok 6277
179: ok 6278
179: ok 6279
179: ok 6280
179: ok 6281
179: ok 6282
179: ok 6283
179: ok 6284
179: ok 6285
179: ok 6286
179: ok 6287
179: ok 6288
179: ok 6289
179: ok 6290
179: ok 6291
179: ok 6292
179: ok 6293
179: ok 6294
179: ok 6295
179: ok 6296
179: ok 6297
179: ok 6298
179: ok 6299
179: ok 6300
179: ok 6301
179: ok 6302
179: ok 6303
179: ok 6304
179: ok 6305
179: ok 6306
179: ok 6307
179: ok 6308
179: ok 6309
179: ok 6310
179: ok 6311
179: ok 6312
179: ok 6313
179: ok 6314
179: ok 6315
179: ok 6316
179: ok 6317
179: ok 6318
179: ok 6319
179: ok 6320
179: ok 6321
179: ok 6322
179: ok 6323
179: ok 6324
179: ok 6325
179: ok 6326
179: ok 6327
179: ok 6328
179: ok 6329
179: ok 6330
179: ok 6331
179: ok 6332
179: ok 6333
179: ok 6334
179: ok 6335
179: ok 6336
179: ok 6337
179: ok 6338
179: ok 6339
179: ok 6340
179: ok 6341
179: ok 6342
179: ok 6343
179: ok 6344
179: ok 6345
179: ok 6346
179: ok 6347
179: ok 6348
179: ok 6349
179: ok 6350
179: ok 6351
179: ok 6352
179: ok 6353
179: ok 6354
179: ok 6355
179: ok 6356
179: ok 6357
179: ok 6358
179: ok 6359
179: ok 6360
179: ok 6361
179: ok 6362
179: ok 6363
179: ok 6364
179: ok 6365
179: ok 6366
179: ok 6367
179: ok 6368
179: ok 6369
179: ok 6370
179: ok 6371
179: ok 6372
179: ok 6373
179: ok 6374
179: ok 6375
179: ok 6376
179: ok 6377
179: ok 6378
179: ok 6379
179: ok 6380
179: ok 6381
179: ok 6382
179: ok 6383
179: ok 6384
179: ok 6385
179: ok 6386
179: ok 6387
179: ok 6388
179: ok 6389
179: ok 6390
179: ok 6391
179: ok 6392
179: ok 6393
179: ok 6394
179: ok 6395
179: ok 6396
179: ok 6397
179: ok 6398
179: ok 6399
179: ok 6400
179: ok 6401
179: ok 6402
179: ok 6403
179: ok 6404
179: ok 6405
179: ok 6406
179: ok 6407
179: ok 6408
179: ok 6409
179: ok 6410
179: ok 6411
179: ok 6412
179: ok 6413
179: ok 6414
179: ok 6415
179: ok 6416
179: ok 6417
179: ok 6418
179: ok 6419
179: ok 6420
179: ok 6421
179: ok 6422
179: ok 6423
179: ok 6424
179: ok 6425
179: ok 6426
179: ok 6427
179: ok 6428
179: ok 6429
179: ok 6430
179: ok 6431
179: ok 6432
179: ok 6433
179: ok 6434
179: ok 6435
179: ok 6436
179: ok 6437
179: ok 6438
179: ok 6439
179: ok 6440
179: ok 6441
179: ok 6442
179: ok 6443
179: ok 6444
179: ok 6445
179: ok 6446
179: ok 6447
179: ok 6448
179: ok 6449
179: ok 6450
179: ok 6451
179: ok 6452
179: ok 6453
179: ok 6454
179: ok 6455
179: ok 6456
179: ok 6457
179: ok 6458
179: ok 6459
179: ok 6460
179: ok 6461
179: ok 6462
179: ok 6463
179: ok 6464
179: ok 6465
179: ok 6466
179: ok 6467
179: ok 6468
179: ok 6469
179: ok 6470
179: ok 6471
179: ok 6472
179: ok 6473
179: ok 6474
179: ok 6475
179: ok 6476
179: ok 6477
179: ok 6478
179: ok 6479
179: ok 6480
179: ok 6481
179: ok 6482
179: ok 6483
179: ok 6484
179: ok 6485
179: ok 6486
179: ok 6487
179: ok 6488
179: ok 6489
179: ok 6490
179: ok 6491
179: ok 6492
179: ok 6493
179: ok 6494
179: ok 6495
179: ok 6496
179: ok 6497
179: ok 6498
179: ok 6499
179: ok 6500
179: ok 6501
179: ok 6502
179: ok 6503
179: ok 6504
179: ok 6505
179: ok 6506
179: ok 6507
179: ok 6508
179: ok 6509
179: ok 6510
179: ok 6511
179: ok 6512
179: ok 6513
179: ok 6514
179: ok 6515
179: ok 6516
179: ok 6517
179: ok 6518
179: ok 6519
179: ok 6520
179: ok 6521
179: ok 6522
179: ok 6523
179: ok 6524
179: ok 6525
179: ok 6526
179: ok 6527
179: ok 6528
179: ok 6529
179: ok 6530
179: ok 6531
179: ok 6532
179: ok 6533
179: ok 6534
179: ok 6535
179: ok 6536
179: ok 6537
179: ok 6538
179: ok 6539
179: ok 6540
179: ok 6541
179: ok 6542
179: ok 6543
179: ok 6544
179: ok 6545
179: ok 6546
179: ok 6547
179: ok 6548
179: ok 6549
179: ok 6550
179: ok 6551
179: ok 6552
179: ok 6553
179: ok 6554
179: ok 6555
179: ok 6556
179: ok 6557
179: ok 6558
179: ok 6559
179: ok 6560
179: ok 6561
179: ok 6562
179: ok 6563
179: ok 6564
179: ok 6565
179: ok 6566
179: ok 6567
179: ok 6568
179: ok 6569
179: ok 6570
179: ok 6571
179: ok 6572
179: ok 6573
179: ok 6574
179: ok 6575
179: ok 6576
179: ok 6577
179: ok 6578
179: ok 6579
179: ok 6580
179: ok 6581
179: ok 6582
179: ok 6583
179: ok 6584
179: ok 6585
179: ok 6586
179: ok 6587
179: ok 6588
179: ok 6589
179: ok 6590
179: ok 6591
179: ok 6592
179: ok 6593
179: ok 6594
179: ok 6595
179: ok 6596
179: ok 6597
179: ok 6598
179: ok 6599
179: ok 6600
179: ok 6601
179: ok 6602
179: ok 6603
179: ok 6604
179: ok 6605
179: ok 6606
179: ok 6607
179: ok 6608
179: ok 6609
179: ok 6610
179: ok 6611
179: ok 6612
179: ok 6613
179: ok 6614
179: ok 6615
179: ok 6616
179: ok 6617
179: ok 6618
179: ok 6619
179: ok 6620
179: ok 6621
179: ok 6622
179: ok 6623
179: ok 6624
179: ok 6625
179: ok 6626
179: ok 6627
179: ok 6628
179: ok 6629
179: ok 6630
179: ok 6631
179: ok 6632
179: ok 6633
179: ok 6634
179: ok 6635
179: ok 6636
179: ok 6637
179: ok 6638
179: ok 6639
179: ok 6640
179: ok 6641
179: ok 6642
179: ok 6643
179: ok 6644
179: ok 6645
179: ok 6646
179: ok 6647
179: ok 6648
179: ok 6649
179: ok 6650
179: ok 6651
179: ok 6652
179: ok 6653
179: ok 6654
179: ok 6655
179: ok 6656
179: ok 6657
179: ok 6658
179: ok 6659
179: ok 6660
179: ok 6661
179: ok 6662
179: ok 6663
179: ok 6664
179: ok 6665
179: ok 6666
179: ok 6667
179: ok 6668
179: ok 6669
179: ok 6670
179: ok 6671
179: ok 6672
179: ok 6673
179: ok 6674
179: ok 6675
179: ok 6676
179: ok 6677
179: ok 6678
179: ok 6679
179: ok 6680
179: ok 6681
179: ok 6682
179: ok 6683
179: ok 6684
179: ok 6685
179: ok 6686
179: ok 6687
179: ok 6688
179: ok 6689
179: ok 6690
179: ok 6691
179: ok 6692
179: ok 6693
179: ok 6694
179: ok 6695
179: ok 6696
179: ok 6697
179: ok 6698
179: ok 6699
179: ok 6700
179: ok 6701
179: ok 6702
179: ok 6703
179: ok 6704
179: ok 6705
179: ok 6706
179: ok 6707
179: ok 6708
179: ok 6709
179: ok 6710
179: ok 6711
179: ok 6712
179: ok 6713
179: ok 6714
179: ok 6715
179: ok 6716
179: ok 6717
179: ok 6718
179: ok 6719
179: ok 6720
179: ok 6721
179: ok 6722
179: ok 6723
179: ok 6724
179: ok 6725
179: ok 6726
179: ok 6727
179: ok 6728
179: ok 6729
179: ok 6730
179: ok 6731
179: ok 6732
179: ok 6733
179: ok 6734
179: ok 6735
179: ok 6736
179: ok 6737
179: ok 6738
179: ok 6739
179: ok 6740
179: ok 6741
179: ok 6742
179: ok 6743
179: ok 6744
179: ok 6745
179: ok 6746
179: ok 6747
179: ok 6748
179: ok 6749
179: ok 6750
179: ok 6751
179: ok 6752
179: ok 6753
179: ok 6754
179: ok 6755
179: ok 6756
179: ok 6757
179: ok 6758
179: ok 6759
179: ok 6760
179: ok 6761
179: ok 6762
179: ok 6763
179: ok 6764
179: ok 6765
179: ok 6766
179: ok 6767
179: ok 6768
179: ok 6769
179: ok 6770
179: ok 6771
179: ok 6772
179: ok 6773
179: ok 6774
179: ok 6775
179: ok 6776
179: ok 6777
179: ok 6778
179: ok 6779
179: ok 6780
179: ok 6781
179: ok 6782
179: ok 6783
179: ok 6784
179: ok 6785
179: ok 6786
179: ok 6787
179: ok 6788
179: ok 6789
179: ok 6790
179: ok 6791
179: ok 6792
179: ok 6793
179: ok 6794
179: ok 6795
179: ok 6796
179: ok 6797
179: ok 6798
179: ok 6799
179: ok 6800
179: ok 6801
179: ok 6802
179: ok 6803
179: ok 6804
179: ok 6805
179: ok 6806
179: ok 6807
179: ok 6808
179: ok 6809
179: ok 6810
179: ok 6811
179: ok 6812
179: ok 6813
179: ok 6814
179: ok 6815
179: ok 6816
179: ok 6817
179: ok 6818
179: ok 6819
179: ok 6820
179: ok 6821
179: ok 6822
179: ok 6823
179: ok 6824
179: ok 6825
179: ok 6826
179: ok 6827
179: ok 6828
179: ok 6829
179: ok 6830
179: ok 6831
179: ok 6832
179: ok 6833
179: ok 6834
179: ok 6835
179: ok 6836
179: ok 6837
179: ok 6838
179: ok 6839
179: ok 6840
179: ok 6841
179: ok 6842
179: ok 6843
179: ok 6844
179: ok 6845
179: ok 6846
179: ok 6847
179: ok 6848
179: ok 6849
179: ok 6850
179: ok 6851
179: ok 6852
179: ok 6853
179: ok 6854
179: ok 6855
179: ok 6856
179: ok 6857
179: ok 6858
179: ok 6859
179: ok 6860
179: ok 6861
179: ok 6862
179: ok 6863
179: ok 6864
179: ok 6865
179: ok 6866
179: ok 6867
179: ok 6868
179: ok 6869
179: ok 6870
179: ok 6871
179: ok 6872
179: ok 6873
179: ok 6874
179: ok 6875
179: ok 6876
179: ok 6877
179: ok 6878
179: ok 6879
179: ok 6880
179: ok 6881
179: ok 6882
179: ok 6883
179: ok 6884
179: ok 6885
179: ok 6886
179: ok 6887
179: ok 6888
179: ok 6889
179: ok 6890
179: ok 6891
179: ok 6892
179: ok 6893
179: ok 6894
179: ok 6895
179: ok 6896
179: ok 6897
179: ok 6898
179: ok 6899
179: ok 6900
179: ok 6901
179: ok 6902
179: ok 6903
179: ok 6904
179: ok 6905
179: ok 6906
179: ok 6907
179: ok 6908
179: ok 6909
179: ok 6910
179: ok 6911
179: ok 6912
179: ok 6913
179: ok 6914
179: ok 6915
179: ok 6916
179: ok 6917
179: ok 6918
179: ok 6919
179: ok 6920
179: ok 6921
179: ok 6922
179: ok 6923
179: ok 6924
179: ok 6925
179: ok 6926
179: ok 6927
179: ok 6928
179: ok 6929
179: ok 6930
179: ok 6931
179: ok 6932
179: ok 6933
179: ok 6934
179: ok 6935
179: ok 6936
179: ok 6937
179: ok 6938
179: ok 6939
179: ok 6940
179: ok 6941
179: ok 6942
179: ok 6943
179: ok 6944
179: ok 6945
179: ok 6946
179: ok 6947
179: ok 6948
179: ok 6949
179: ok 6950
179: ok 6951
179: ok 6952
179: ok 6953
179: ok 6954
179: ok 6955
179: ok 6956
179: ok 6957
179: ok 6958
179: ok 6959
179: ok 6960
179: ok 6961
179: ok 6962
179: ok 6963
179: ok 6964
179: ok 6965
179: ok 6966
179: ok 6967
179: ok 6968
179: ok 6969
179: ok 6970
179: ok 6971
179: ok 6972
179: ok 6973
179: ok 6974
179: ok 6975
179: ok 6976
179: ok 6977
179: ok 6978
179: ok 6979
179: ok 6980
179: ok 6981
179: ok 6982
179: ok 6983
179: ok 6984
179: ok 6985
179: ok 6986
179: ok 6987
179: ok 6988
179: ok 6989
179: ok 6990
179: ok 6991
179: ok 6992
179: ok 6993
179: ok 6994
179: ok 6995
179: ok 6996
179: ok 6997
179: ok 6998
179: ok 6999
179: ok 7000
179: ok 7001
179: ok 7002
179: ok 7003
179: ok 7004
179: ok 7005
179: ok 7006
179: ok 7007
179: ok 7008
179: ok 7009
179: ok 7010
179: ok 7011
179: ok 7012
179: ok 7013
179: ok 7014
179: ok 7015
179: ok 7016
179: ok 7017
179: ok 7018
179: ok 7019
179: ok 7020
179: ok 7021
179: ok 7022
179: ok 7023
179: ok 7024
179: ok 7025
179: ok 7026
179: ok 7027
179: ok 7028
179: ok 7029
179: ok 7030
179: ok 7031
179: ok 7032
179: ok 7033
179: ok 7034
179: ok 7035
179: ok 7036
179: ok 7037
179: ok 7038
179: ok 7039
179: ok 7040
179: ok 7041
179: ok 7042
179: ok 7043
179: ok 7044
179: ok 7045
179: ok 7046
179: ok 7047
179: ok 7048
179: ok 7049
179: ok 7050
179: ok 7051
179: ok 7052
179: ok 7053
179: ok 7054
179: ok 7055
179: ok 7056
179: ok 7057
179: ok 7058
179: ok 7059
179: ok 7060
179: ok 7061
179: ok 7062
179: ok 7063
179: ok 7064
179: ok 7065
179: ok 7066
179: ok 7067
179: ok 7068
179: ok 7069
179: ok 7070
179: ok 7071
179: ok 7072
179: ok 7073
179: ok 7074
179: ok 7075
179: ok 7076
179: ok 7077
179: ok 7078
179: ok 7079
179: ok 7080
179: ok 7081
179: ok 7082
179: ok 7083
179: ok 7084
179: ok 7085
179: ok 7086
179: ok 7087
179: ok 7088
179: ok 7089
179: ok 7090
179: ok 7091
179: ok 7092
179: ok 7093
179: ok 7094
179: ok 7095
179: ok 7096
179: ok 7097
179: ok 7098
179: ok 7099
179: ok 7100
179: ok 7101
179: ok 7102
179: ok 7103
179: ok 7104
179: ok 7105
179: ok 7106
179: ok 7107
179: ok 7108
179: ok 7109
179: ok 7110
179: ok 7111
179: ok 7112
179: ok 7113
179: ok 7114
179: ok 7115
179: ok 7116
179: ok 7117
179: ok 7118
179: ok 7119
179: ok 7120
179: ok 7121
179: ok 7122
179: ok 7123
179: ok 7124
179: ok 7125
179: ok 7126
179: ok 7127
179: ok 7128
179: ok 7129
179: ok 7130
179: ok 7131
179: ok 7132
179: ok 7133
179: ok 7134
179: ok 7135
179: ok 7136
179: ok 7137
179: ok 7138
179: ok 7139
179: ok 7140
179: ok 7141
179: ok 7142
179: ok 7143
179: ok 7144
179: ok 7145
179: ok 7146
179: ok 7147
179: ok 7148
179: ok 7149
179: ok 7150
179: ok 7151
179: ok 7152
179: ok 7153
179: ok 7154
179: ok 7155
179: ok 7156
179: ok 7157
179: ok 7158
179: ok 7159
179: ok 7160
179: ok 7161
179: ok 7162
179: ok 7163
179: ok 7164
179: ok 7165
179: ok 7166
179: ok 7167
179: ok 7168
179: ok 7169
179: ok 7170
179: ok 7171
179: ok 7172
179: ok 7173
179: ok 7174
179: ok 7175
179: ok 7176
179: ok 7177
179: ok 7178
179: ok 7179
179: ok 7180
179: ok 7181
179: ok 7182
179: ok 7183
179: ok 7184
179: ok 7185
179: ok 7186
179: ok 7187
179: ok 7188
179: ok 7189
179: ok 7190
179: ok 7191
179: ok 7192
179: ok 7193
179: ok 7194
179: ok 7195
179: ok 7196
179: ok 7197
179: ok 7198
179: ok 7199
179: ok 7200
179: ok 7201
179: ok 7202
179: ok 7203
179: ok 7204
179: ok 7205
179: ok 7206
179: ok 7207
179: ok 7208
179: ok 7209
179: ok 7210
179: ok 7211
179: ok 7212
179: ok 7213
179: ok 7214
179: ok 7215
179: ok 7216
179: ok 7217
179: ok 7218
179: ok 7219
179: ok 7220
179: ok 7221
179: ok 7222
179: ok 7223
179: ok 7224
179: ok 7225
179: ok 7226
179: ok 7227
179: ok 7228
179: ok 7229
179: ok 7230
179: ok 7231
179: ok 7232
179: ok 7233
179: ok 7234
179: ok 7235
179: ok 7236
179: ok 7237
179: ok 7238
179: ok 7239
179: ok 7240
179: ok 7241
179: ok 7242
179: ok 7243
179: ok 7244
179: ok 7245
179: ok 7246
179: ok 7247
179: ok 7248
179: ok 7249
179: ok 7250
179: ok 7251
179: ok 7252
179: ok 7253
179: ok 7254
179: ok 7255
179: ok 7256
179: ok 7257
179: ok 7258
179: ok 7259
179: ok 7260
179: ok 7261
179: ok 7262
179: ok 7263
179: ok 7264
179: ok 7265
179: ok 7266
179: ok 7267
179: ok 7268
179: ok 7269
179: ok 7270
179: ok 7271
179: ok 7272
179: ok 7273
179: ok 7274
179: ok 7275
179: ok 7276
179: ok 7277
179: ok 7278
179: ok 7279
179: ok 7280
179: ok 7281
179: ok 7282
179: ok 7283
179: ok 7284
179: ok 7285
179: ok 7286
179: ok 7287
179: ok 7288
179: ok 7289
179: ok 7290
179: ok 7291
179: ok 7292
179: ok 7293
179: ok 7294
179: ok 7295
179: ok 7296
179: ok 7297
179: ok 7298
179: ok 7299
179: ok 7300
179: ok 7301
179: ok 7302
179: ok 7303
179: ok 7304
179: ok 7305
179: ok 7306
179: ok 7307
179: ok 7308
179: ok 7309
179: ok 7310
179: ok 7311
179: ok 7312
179: ok 7313
179: ok 7314
179: ok 7315
179: ok 7316
179: ok 7317
179: ok 7318
179: ok 7319
179: ok 7320
179: ok 7321
179: ok 7322
179: ok 7323
179: ok 7324
179: ok 7325
179: ok 7326
179: ok 7327
179: ok 7328
179: ok 7329
179: ok 7330
179: ok 7331
179: ok 7332
179: ok 7333
179: ok 7334
179: ok 7335
179: ok 7336
179: ok 7337
179: ok 7338
179: ok 7339
179: ok 7340
179: ok 7341
179: ok 7342
179: ok 7343
179: ok 7344
179: ok 7345
179: ok 7346
179: ok 7347
179: ok 7348
179: ok 7349
179: ok 7350
179: ok 7351
179: ok 7352
179: ok 7353
179: ok 7354
179: ok 7355
179: ok 7356
179: ok 7357
179: ok 7358
179: ok 7359
179: ok 7360
179: ok 7361
179: ok 7362
179: ok 7363
179: ok 7364
179: ok 7365
179: ok 7366
179: ok 7367
179: ok 7368
179: ok 7369
179: ok 7370
179: ok 7371
179: ok 7372
179: ok 7373
179: ok 7374
179: ok 7375
179: ok 7376
179: ok 7377
179: ok 7378
179: ok 7379
179: ok 7380
179: ok 7381
179: ok 7382
179: ok 7383
179: ok 7384
179: ok 7385
179: ok 7386
179: ok 7387
179: ok 7388
179: ok 7389
179: ok 7390
179: ok 7391
179: ok 7392
179: ok 7393
179: ok 7394
179: ok 7395
179: ok 7396
179: ok 7397
179: ok 7398
179: ok 7399
179: ok 7400
179: ok 7401
179: ok 7402
179: ok 7403
179: ok 7404
179: ok 7405
179: ok 7406
179: ok 7407
179: ok 7408
179: ok 7409
179: ok 7410
179: ok 7411
179: ok 7412
179: ok 7413
179: ok 7414
179: ok 7415
179: ok 7416
179: ok 7417
179: ok 7418
179: ok 7419
179: ok 7420
179: ok 7421
179: ok 7422
179: ok 7423
179: ok 7424
179: ok 7425
179: ok 7426
179: ok 7427
179: ok 7428
179: ok 7429
179: ok 7430
179: ok 7431
179: ok 7432
179: ok 7433
179: ok 7434
179: ok 7435
179: ok 7436
179: ok 7437
179: ok 7438
179: ok 7439
179: ok 7440
179: ok 7441
179: ok 7442
179: ok 7443
179: ok 7444
179: ok 7445
179: ok 7446
179: ok 7447
179: ok 7448
179: ok 7449
179: ok 7450
179: ok 7451
179: ok 7452
179: ok 7453
179: ok 7454
179: ok 7455
179: ok 7456
179: ok 7457
179: ok 7458
179: ok 7459
179: ok 7460
179: ok 7461
179: ok 7462
179: ok 7463
179: ok 7464
179: ok 7465
179: ok 7466
179: ok 7467
179: ok 7468
179: ok 7469
179: ok 7470
179: ok 7471
179: ok 7472
179: ok 7473
179: ok 7474
179: ok 7475
179: ok 7476
179: ok 7477
179: ok 7478
179: ok 7479
179: ok 7480
179: ok 7481
179: ok 7482
179: ok 7483
179: ok 7484
179: ok 7485
179: ok 7486
179: ok 7487
179: ok 7488
179: ok 7489
179: ok 7490
179: ok 7491
179: ok 7492
179: ok 7493
179: ok 7494
179: ok 7495
179: ok 7496
179: ok 7497
179: ok 7498
179: ok 7499
179: ok 7500
179: ok 7501
179: ok 7502
179: ok 7503
179: ok 7504
179: ok 7505
179: ok 7506
179: ok 7507
179: ok 7508
179: ok 7509
179: ok 7510
179: ok 7511
179: ok 7512
179: ok 7513
179: ok 7514
179: ok 7515
179: ok 7516
179: ok 7517
179: ok 7518
179: ok 7519
179: ok 7520
179: ok 7521
179: ok 7522
179: ok 7523
179: ok 7524
179: ok 7525
179: ok 7526
179: ok 7527
179: ok 7528
179: ok 7529
179: ok 7530
179: ok 7531
179: ok 7532
179: ok 7533
179: ok 7534
179: ok 7535
179: ok 7536
179: ok 7537
179: ok 7538
179: ok 7539
179: ok 7540
179: ok 7541
179: ok 7542
179: ok 7543
179: ok 7544
179: ok 7545
179: ok 7546
179: ok 7547
179: ok 7548
179: ok 7549
179: ok 7550
179: ok 7551
179: ok 7552
179: ok 7553
179: ok 7554
179: ok 7555
179: ok 7556
179: ok 7557
179: ok 7558
179: ok 7559
179: ok 7560
179: ok 7561
179: ok 7562
179: ok 7563
179: ok 7564
179: ok 7565
179: ok 7566
179: ok 7567
179: ok 7568
179: ok 7569
179: ok 7570
179: ok 7571
179: ok 7572
179: ok 7573
179: ok 7574
179: ok 7575
179: ok 7576
179: ok 7577
179: ok 7578
179: ok 7579
179: ok 7580
179: ok 7581
179: ok 7582
179: ok 7583
179: ok 7584
179: ok 7585
179: ok 7586
179: ok 7587
179: ok 7588
179: ok 7589
179: ok 7590
179: ok 7591
179: ok 7592
179: ok 7593
179: ok 7594
179: ok 7595
179: ok 7596
179: ok 7597
179: ok 7598
179: ok 7599
179: ok 7600
179: ok 7601
179: ok 7602
179: ok 7603
179: ok 7604
179: ok 7605
179: ok 7606
179: ok 7607
179: ok 7608
179: ok 7609
179: ok 7610
179: ok 7611
179: ok 7612
179: ok 7613
179: ok 7614
179: ok 7615
179: ok 7616
179: ok 7617
179: ok 7618
179: ok 7619
179: ok 7620
179: ok 7621
179: ok 7622
179: ok 7623
179: ok 7624
179: ok 7625
179: ok 7626
179: ok 7627
179: ok 7628
179: ok 7629
179: ok 7630
179: ok 7631
179: ok 7632
179: ok 7633
179: ok 7634
179: ok 7635
179: ok 7636
179: ok 7637
179: ok 7638
179: ok 7639
179: ok 7640
179: ok 7641
179: ok 7642
179: ok 7643
179: ok 7644
179: ok 7645
179: ok 7646
179: ok 7647
179: ok 7648
179: ok 7649
179: ok 7650
179: ok 7651
179: ok 7652
179: ok 7653
179: ok 7654
179: ok 7655
179: ok 7656
179: ok 7657
179: ok 7658
179: ok 7659
179: ok 7660
179: ok 7661
179: ok 7662
179: ok 7663
179: ok 7664
179: ok 7665
179: ok 7666
179: ok 7667
179: ok 7668
179: ok 7669
179: ok 7670
179: ok 7671
179: ok 7672
179: ok 7673
179: ok 7674
179: ok 7675
179: ok 7676
179: ok 7677
179: ok 7678
179: ok 7679
179: ok 7680
179: ok 7681
179: ok 7682
179: ok 7683
179: ok 7684
179: ok 7685
179: ok 7686
179: ok 7687
179: ok 7688
179: ok 7689
179: ok 7690
179: ok 7691
179: ok 7692
179: ok 7693
179: ok 7694
179: ok 7695
179: ok 7696
179: ok 7697
179: ok 7698
179: ok 7699
179: ok 7700
179: ok 7701
179: ok 7702
179: ok 7703
179: ok 7704
179: ok 7705
179: ok 7706
179: ok 7707
179: ok 7708
179: ok 7709
179: ok 7710
179: ok 7711
179: ok 7712
179: ok 7713
179: ok 7714
179: ok 7715
179: ok 7716
179: ok 7717
179: ok 7718
179: ok 7719
179: ok 7720
179: ok 7721
179: ok 7722
179: ok 7723
179: ok 7724
179: ok 7725
179: ok 7726
179: ok 7727
179: ok 7728
179: ok 7729
179: ok 7730
179: ok 7731
179: ok 7732
179: ok 7733
179: ok 7734
179: ok 7735
179: ok 7736
179: ok 7737
179: ok 7738
179: ok 7739
179: ok 7740
179: ok 7741
179: ok 7742
179: ok 7743
179: ok 7744
179: ok 7745
179: ok 7746
179: ok 7747
179: ok 7748
179: ok 7749
179: ok 7750
179: ok 7751
179: ok 7752
179: ok 7753
179: ok 7754
179: ok 7755
179: ok 7756
179: ok 7757
179: ok 7758
179: ok 7759
179: ok 7760
179: ok 7761
179: ok 7762
179: ok 7763
179: ok 7764
179: ok 7765
179: ok 7766
179: ok 7767
179: ok 7768
179: ok 7769
179: ok 7770
179: ok 7771
179: ok 7772
179: ok 7773
179: ok 7774
179: ok 7775
179: ok 7776
179: ok 7777
179: ok 7778
179: ok 7779
179: ok 7780
179: ok 7781
179: ok 7782
179: ok 7783
179: ok 7784
179: ok 7785
179: ok 7786
179: ok 7787
179: ok 7788
179: ok 7789
179: ok 7790
179: ok 7791
179: ok 7792
179: ok 7793
179: ok 7794
179: ok 7795
179: ok 7796
179: ok 7797
179: ok 7798
179: ok 7799
179: ok 7800
179: ok 7801
179: ok 7802
179: ok 7803
179: ok 7804
179: ok 7805
179: ok 7806
179: ok 7807
179: ok 7808
179: ok 7809
179: ok 7810
179: ok 7811
179: ok 7812
179: ok 7813
179: ok 7814
179: ok 7815
179: ok 7816
179: ok 7817
179: ok 7818
179: ok 7819
179: ok 7820
179: ok 7821
179: ok 7822
179: ok 7823
179: ok 7824
179: ok 7825
179: ok 7826
179: ok 7827
179: ok 7828
179: ok 7829
179: ok 7830
179: ok 7831
179: ok 7832
179: ok 7833
179: ok 7834
179: ok 7835
179: ok 7836
179: ok 7837
179: ok 7838
179: ok 7839
179: ok 7840
179: ok 7841
179: ok 7842
179: ok 7843
179: ok 7844
179: ok 7845
179: ok 7846
179: ok 7847
179: ok 7848
179: ok 7849
179: ok 7850
179: ok 7851
179: ok 7852
179: ok 7853
179: ok 7854
179: ok 7855
179: ok 7856
179: ok 7857
179: ok 7858
179: ok 7859
179: ok 7860
179: ok 7861
179: ok 7862
179: ok 7863
179: ok 7864
179: ok 7865
179: ok 7866
179: ok 7867
179: ok 7868
179: ok 7869
179: ok 7870
179: ok 7871
179: ok 7872
179: ok 7873
179: ok 7874
179: ok 7875
179: ok 7876
179: ok 7877
179: ok 7878
179: ok 7879
179: ok 7880
179: ok 7881
179: ok 7882
179: ok 7883
179: ok 7884
179: ok 7885
179: ok 7886
179: ok 7887
179: ok 7888
179: ok 7889
179: ok 7890
179: ok 7891
179: ok 7892
179: ok 7893
179: ok 7894
179: ok 7895
179: ok 7896
179: ok 7897
179: ok 7898
179: ok 7899
179: ok 7900
179: ok 7901
179: ok 7902
179: ok 7903
179: ok 7904
179: ok 7905
179: ok 7906
179: ok 7907
179: ok 7908
179: ok 7909
179: ok 7910
179: ok 7911
179: ok 7912
179: ok 7913
179: ok 7914
179: ok 7915
179: ok 7916
179: ok 7917
179: ok 7918
179: ok 7919
179: ok 7920
179: ok 7921
179: ok 7922
179: ok 7923
179: ok 7924
179: ok 7925
179: ok 7926
179: ok 7927
179: ok 7928
179: ok 7929
179: ok 7930
179: ok 7931
179: ok 7932
179: ok 7933
179: ok 7934
179: ok 7935
179: ok 7936
179: ok 7937
179: ok 7938
179: ok 7939
179: ok 7940
179: ok 7941
179: ok 7942
179: ok 7943
179: ok 7944
179: ok 7945
179: ok 7946
179: ok 7947
179: ok 7948
179: ok 7949
179: ok 7950
179: ok 7951
179: ok 7952
179: ok 7953
179: ok 7954
179: ok 7955
179: ok 7956
179: ok 7957
179: ok 7958
179: ok 7959
179: ok 7960
179: ok 7961
179: ok 7962
179: ok 7963
179: ok 7964
179: ok 7965
179: ok 7966
179: ok 7967
179: ok 7968
179: ok 7969
179: ok 7970
179: ok 7971
179: ok 7972
179: ok 7973
179: ok 7974
179: ok 7975
179: ok 7976
179: ok 7977
179: ok 7978
179: ok 7979
179: ok 7980
179: ok 7981
179: ok 7982
179: ok 7983
179: ok 7984
179: ok 7985
179: ok 7986
179: ok 7987
179: ok 7988
179: ok 7989
179: ok 7990
179: ok 7991
179: ok 7992
179: ok 7993
179: ok 7994
179: ok 7995
179: ok 7996
179: ok 7997
179: ok 7998
179: ok 7999
179: ok 8000
179: ok 8001
179: ok 8002
179: ok 8003
179: ok 8004
179: ok 8005
179: ok 8006
179: ok 8007
179: ok 8008
179: ok 8009
179: ok 8010
179: ok 8011
179: ok 8012
179: ok 8013
179: ok 8014
179: ok 8015
179: ok 8016
179: ok 8017
179: ok 8018
179: ok 8019
179: ok 8020
179: ok 8021
179: ok 8022
179: ok 8023
179: ok 8024
179: ok 8025
179: ok 8026
179: ok 8027
179: ok 8028
179: ok 8029
179: ok 8030
179: ok 8031
179: ok 8032
179: ok 8033
179: ok 8034
179: ok 8035
179: ok 8036
179: ok 8037
179: ok 8038
179: ok 8039
179: ok 8040
179: ok 8041
179: ok 8042
179: ok 8043
179: ok 8044
179: ok 8045
179: ok 8046
179: ok 8047
179: ok 8048
179: ok 8049
179: ok 8050
179: ok 8051
179: ok 8052
179: ok 8053
179: ok 8054
179: ok 8055
179: ok 8056
179: ok 8057
179: ok 8058
179: ok 8059
179: ok 8060
179: ok 8061
179: ok 8062
179: ok 8063
179: ok 8064
179: ok 8065
179: ok 8066
179: ok 8067
179: ok 8068
179: ok 8069
179: ok 8070
179: ok 8071
179: ok 8072
179: ok 8073
179: ok 8074
179: ok 8075
179: ok 8076
179: ok 8077
179: ok 8078
179: ok 8079
179: ok 8080
179: ok 8081
179: ok 8082
179: ok 8083
179: ok 8084
179: ok 8085
179: ok 8086
179: ok 8087
179: ok 8088
179: ok 8089
179: ok 8090
179: ok 8091
179: ok 8092
179: ok 8093
179: ok 8094
179: ok 8095
179: ok 8096
179: ok 8097
179: ok 8098
179: ok 8099
179: ok 8100
179: ok 8101
179: ok 8102
179: ok 8103
179: ok 8104
179: ok 8105
179: ok 8106
179: ok 8107
179: ok 8108
179: ok 8109
179: ok 8110
179: ok 8111
179: ok 8112
179: ok 8113
179: ok 8114
179: ok 8115
179: ok 8116
179: ok 8117
179: ok 8118
179: ok 8119
179: ok 8120
179: ok 8121
179: ok 8122
179: ok 8123
179: ok 8124
179: ok 8125
179: ok 8126
179: ok 8127
179: ok 8128
179: ok 8129
179: ok 8130
179: ok 8131
179: ok 8132
179: ok 8133
179: ok 8134
179: ok 8135
179: ok 8136
179: ok 8137
179: ok 8138
179: ok 8139
179: ok 8140
179: ok 8141
179: ok 8142
179: ok 8143
179: ok 8144
179: ok 8145
179: ok 8146
179: ok 8147
179: ok 8148
179: ok 8149
179: ok 8150
179: ok 8151
179: ok 8152
179: ok 8153
179: ok 8154
179: ok 8155
179: ok 8156
179: ok 8157
179: ok 8158
179: ok 8159
179: ok 8160
179: ok 8161
179: ok 8162
179: ok 8163
179: ok 8164
179: ok 8165
179: ok 8166
179: ok 8167
179: ok 8168
179: ok 8169
179: ok 8170
179: ok 8171
179: ok 8172
179: ok 8173
179: ok 8174
179: ok 8175
179: ok 8176
179: ok 8177
179: ok 8178
179: ok 8179
179: ok 8180
179: ok 8181
179: ok 8182
179: ok 8183
179: ok 8184
179: ok 8185
179: ok 8186
179: ok 8187
179: ok 8188
179: ok 8189
179: ok 8190
179: ok 8191
179: ok 8192
179: ok 8193
179: ok 8194
179: ok 8195
179: ok 8196
179: ok 8197
179: ok 8198
179: ok 8199
179: ok 8200
179: ok 8201
179: ok 8202
179: ok 8203
179: ok 8204
179: ok 8205
179: ok 8206
179: ok 8207
179: ok 8208
179: ok 8209
179: ok 8210
179: ok 8211
179: ok 8212
179: ok 8213
179: ok 8214
179: ok 8215
179: ok 8216
179: ok 8217
179: ok 8218
179: ok 8219
179: ok 8220
179: ok 8221
179: ok 8222
179: ok 8223
179: ok 8224
179: ok 8225
179: ok 8226
179: ok 8227
179: ok 8228
179: ok 8229
179: ok 8230
179: ok 8231
179: ok 8232
179: ok 8233
179: ok 8234
179: ok 8235
179: ok 8236
179: ok 8237
179: ok 8238
179: ok 8239
179: ok 8240
179: ok 8241
179: ok 8242
179: ok 8243
179: ok 8244
179: ok 8245
179: ok 8246
179: ok 8247
179: ok 8248
179: ok 8249
179: ok 8250
179: ok 8251
179: ok 8252
179: ok 8253
179: ok 8254
179: ok 8255
179: ok 8256
179: ok 8257
179: ok 8258
179: ok 8259
179: ok 8260
179: ok 8261
179: ok 8262
179: ok 8263
179: ok 8264
179: ok 8265
179: ok 8266
179: ok 8267
179: ok 8268
179: ok 8269
179: ok 8270
179: ok 8271
179: ok 8272
179: ok 8273
179: ok 8274
179: ok 8275
179: ok 8276
179: ok 8277
179: ok 8278
179: ok 8279
179: ok 8280
179: ok 8281
179: ok 8282
179: ok 8283
179: ok 8284
179: ok 8285
179: ok 8286
179: ok 8287
179: ok 8288
179: ok 8289
179: ok 8290
179: ok 8291
179: ok 8292
179: ok 8293
179: ok 8294
179: ok 8295
179: ok 8296
179: ok 8297
179: ok 8298
179: ok 8299
179: ok 8300
179: ok 8301
179: ok 8302
179: ok 8303
179: ok 8304
179: ok 8305
179: ok 8306
179: ok 8307
179: ok 8308
179: ok 8309
179: ok 8310
179: ok 8311
179: ok 8312
179: ok 8313
179: ok 8314
179: ok 8315
179: ok 8316
179: ok 8317
179: ok 8318
179: ok 8319
179: ok 8320
179: ok 8321
179: ok 8322
179: ok 8323
179: ok 8324
179: ok 8325
179: ok 8326
179: ok 8327
179: ok 8328
179: ok 8329
179: ok 8330
179: ok 8331
179: ok 8332
179: ok 8333
179: ok 8334
179: ok 8335
179: ok 8336
179: ok 8337
179: ok 8338
179: ok 8339
179: ok 8340
179: ok 8341
179: ok 8342
179: ok 8343
179: ok 8344
179: ok 8345
179: ok 8346
179: ok 8347
179: ok 8348
179: ok 8349
179: ok 8350
179: ok 8351
179: ok 8352
179: ok 8353
179: ok 8354
179: ok 8355
179: ok 8356
179: ok 8357
179: ok 8358
179: ok 8359
179: ok 8360
179: ok 8361
179: ok 8362
179: ok 8363
179: ok 8364
179: ok 8365
179: ok 8366
179: ok 8367
179: ok 8368
179: ok 8369
179: ok 8370
179: ok 8371
179: ok 8372
179: ok 8373
179: ok 8374
179: ok 8375
179: ok 8376
179: ok 8377
179: ok 8378
179: ok 8379
179: ok 8380
179: ok 8381
179: ok 8382
179: ok 8383
179: ok 8384
179: ok 8385
179: ok 8386
179: ok 8387
179: ok 8388
179: ok 8389
179: ok 8390
179: ok 8391
179: ok 8392
179: ok 8393
179: ok 8394
179: ok 8395
179: ok 8396
179: ok 8397
179: ok 8398
179: ok 8399
179: ok 8400
179: ok 8401
179: ok 8402
179: ok 8403
179: ok 8404
179: ok 8405
179: ok 8406
179: ok 8407
179: ok 8408
179: ok 8409
179: ok 8410
179: ok 8411
179: ok 8412
179: ok 8413
179: ok 8414
179: ok 8415
179: ok 8416
179: ok 8417
179: ok 8418
179: ok 8419
179: ok 8420
179: ok 8421
179: ok 8422
179: ok 8423
179: ok 8424
179: ok 8425
179: ok 8426
179: ok 8427
179: ok 8428
179: ok 8429
179: ok 8430
179: ok 8431
179: ok 8432
179: ok 8433
179: ok 8434
179: ok 8435
179: ok 8436
179: ok 8437
179: ok 8438
179: ok 8439
179: ok 8440
179: ok 8441
179: ok 8442
179: ok 8443
179: ok 8444
179: ok 8445
179: ok 8446
179: ok 8447
179: ok 8448
179: ok 8449
179: ok 8450
179: ok 8451
179: ok 8452
179: ok 8453
179: ok 8454
179: ok 8455
179: ok 8456
179: ok 8457
179: ok 8458
179: ok 8459
179: ok 8460
179: ok 8461
179: ok 8462
179: ok 8463
179: ok 8464
179: ok 8465
179: ok 8466
179: ok 8467
179: ok 8468
179: ok 8469
179: ok 8470
179: ok 8471
179: ok 8472
179: ok 8473
179: ok 8474
179: ok 8475
179: ok 8476
179: ok 8477
179: ok 8478
179: ok 8479
179: ok 8480
179: ok 8481
179: ok 8482
179: ok 8483
179: ok 8484
179: ok 8485
179: ok 8486
179: ok 8487
179: ok 8488
179: ok 8489
179: ok 8490
179: ok 8491
179: ok 8492
179: ok 8493
179: ok 8494
179: ok 8495
179: ok 8496
179: ok 8497
179: ok 8498
179: ok 8499
179: ok 8500
179: ok 8501
179: ok 8502
179: ok 8503
179: ok 8504
179: ok 8505
179: ok 8506
179: ok 8507
179: ok 8508
179: ok 8509
179: ok 8510
179: ok 8511
179: ok 8512
179: ok 8513
179: ok 8514
179: ok 8515
179: ok 8516
179: ok 8517
179: ok 8518
179: ok 8519
179: ok 8520
179: ok 8521
179: ok 8522
179: ok 8523
179: ok 8524
179: ok 8525
179: ok 8526
179: ok 8527
179: ok 8528
179: ok 8529
179: ok 8530
179: ok 8531
179: ok 8532
179: ok 8533
179: ok 8534
179: ok 8535
179: ok 8536
179: ok 8537
179: ok 8538
179: ok 8539
179: ok 8540
179: ok 8541
179: ok 8542
179: ok 8543
179: ok 8544
179: ok 8545
179: ok 8546
179: ok 8547
179: ok 8548
179: ok 8549
179: ok 8550
179: ok 8551
179: ok 8552
179: ok 8553
179: ok 8554
179: ok 8555
179: ok 8556
179: ok 8557
179: ok 8558
179: ok 8559
179: ok 8560
179: ok 8561
179: ok 8562
179: ok 8563
179: ok 8564
179: ok 8565
179: ok 8566
179: ok 8567
179: ok 8568
179: ok 8569
179: ok 8570
179: ok 8571
179: ok 8572
179: ok 8573
179: ok 8574
179: ok 8575
179: ok 8576
179: ok 8577
179: ok 8578
179: ok 8579
179: ok 8580
179: ok 8581
179: ok 8582
179: ok 8583
179: ok 8584
179: ok 8585
179: ok 8586
179: ok 8587
179: ok 8588
179: ok 8589
179: ok 8590
179: ok 8591
179: ok 8592
179: ok 8593
179: ok 8594
179: ok 8595
179: ok 8596
179: ok 8597
179: ok 8598
179: ok 8599
179: ok 8600
179: ok 8601
179: ok 8602
179: ok 8603
179: ok 8604
179: ok 8605
179: ok 8606
179: ok 8607
179: ok 8608
179: ok 8609
179: ok 8610
179: ok 8611
179: ok 8612
179: ok 8613
179: ok 8614
179: ok 8615
179: ok 8616
179: ok 8617
179: ok 8618
179: ok 8619
179: ok 8620
179: ok 8621
179: ok 8622
179: ok 8623
179: ok 8624
179: ok 8625
179: ok 8626
179: ok 8627
179: ok 8628
179: ok 8629
179: ok 8630
179: ok 8631
179: ok 8632
179: ok 8633
179: ok 8634
179: ok 8635
179: ok 8636
179: ok 8637
179: ok 8638
179: ok 8639
179: ok 8640
179: ok 8641
179: ok 8642
179: ok 8643
179: ok 8644
179: ok 8645
179: ok 8646
179: ok 8647
179: ok 8648
179: ok 8649
179: ok 8650
179: ok 8651
179: ok 8652
179: ok 8653
179: ok 8654
179: ok 8655
179: ok 8656
179: ok 8657
179: ok 8658
179: ok 8659
179: ok 8660
179: ok 8661
179: ok 8662
179: ok 8663
179: ok 8664
179: ok 8665
179: ok 8666
179: ok 8667
179: ok 8668
179: ok 8669
179: ok 8670
179: ok 8671
179: ok 8672
179: ok 8673
179: ok 8674
179: ok 8675
179: ok 8676
179: ok 8677
179: ok 8678
179: ok 8679
179: ok 8680
179: ok 8681
179: ok 8682
179: ok 8683
179: ok 8684
179: ok 8685
179: ok 8686
179: ok 8687
179: ok 8688
179: ok 8689
179: ok 8690
179: ok 8691
179: ok 8692
179: ok 8693
179: ok 8694
179: ok 8695
179: ok 8696
179: ok 8697
179: ok 8698
179: ok 8699
179: ok 8700
179: ok 8701
179: ok 8702
179: ok 8703
179: ok 8704
179: ok 8705
179: ok 8706
179: ok 8707
179: ok 8708
179: ok 8709
179: ok 8710
179: ok 8711
179: ok 8712
179: ok 8713
179: ok 8714
179: ok 8715
179: ok 8716
179: ok 8717
179: ok 8718
179: ok 8719
179: ok 8720
179: ok 8721
179: ok 8722
179: ok 8723
179: ok 8724
179: ok 8725
179: ok 8726
179: ok 8727
179: ok 8728
179: ok 8729
179: ok 8730
179: ok 8731
179: ok 8732
179: ok 8733
179: ok 8734
179: ok 8735
179: ok 8736
179: ok 8737
179: ok 8738
179: ok 8739
179: ok 8740
179: ok 8741
179: ok 8742
179: ok 8743
179: ok 8744
179: ok 8745
179: ok 8746
179: ok 8747
179: ok 8748
179: ok 8749
179: ok 8750
179: ok 8751
179: ok 8752
179: ok 8753
179: ok 8754
179: ok 8755
179: ok 8756
179: ok 8757
179: ok 8758
179: ok 8759
179: ok 8760
179: ok 8761
179: ok 8762
179: ok 8763
179: ok 8764
179: ok 8765
179: ok 8766
179: ok 8767
179: ok 8768
179: ok 8769
179: ok 8770
179: ok 8771
179: ok 8772
179: ok 8773
179: ok 8774
179: ok 8775
179: ok 8776
179: ok 8777
179: ok 8778
179: ok 8779
179: ok 8780
179: ok 8781
179: ok 8782
179: ok 8783
179: ok 8784
179: ok 8785
179: ok 8786
179: ok 8787
179: ok 8788
179: ok 8789
179: ok 8790
179: ok 8791
179: ok 8792
179: ok 8793
179: ok 8794
179: ok 8795
179: ok 8796
179: ok 8797
179: ok 8798
179: ok 8799
179: ok 8800
179: ok 8801
179: ok 8802
179: ok 8803
179: ok 8804
179: ok 8805
179: ok 8806
179: ok 8807
179: ok 8808
179: ok 8809
179: ok 8810
179: ok 8811
179: ok 8812
179: ok 8813
179: ok 8814
179: ok 8815
179: ok 8816
179: ok 8817
179: ok 8818
179: ok 8819
179: ok 8820
179: ok 8821
179: ok 8822
179: ok 8823
179: ok 8824
179: ok 8825
179: ok 8826
179: ok 8827
179: ok 8828
179: ok 8829
179: ok 8830
179: ok 8831
179: ok 8832
179: ok 8833
179: ok 8834
179: ok 8835
179: ok 8836
179: ok 8837
179: ok 8838
179: ok 8839
179: ok 8840
179: ok 8841
179: ok 8842
179: ok 8843
179: ok 8844
179: ok 8845
179: ok 8846
179: ok 8847
179: ok 8848
179: ok 8849
179: ok 8850
179: ok 8851
179: ok 8852
179: ok 8853
179: ok 8854
179: ok 8855
179: ok 8856
179: ok 8857
179: ok 8858
179: ok 8859
179: ok 8860
179: ok 8861
179: ok 8862
179: ok 8863
179: ok 8864
179: ok 8865
179: ok 8866
179: ok 8867
179: ok 8868
179: ok 8869
179: ok 8870
179: ok 8871
179: ok 8872
179: ok 8873
179: ok 8874
179: ok 8875
179: ok 8876
179: ok 8877
179: ok 8878
179: ok 8879
179: ok 8880
179: ok 8881
179: ok 8882
179: ok 8883
179: ok 8884
179: ok 8885
179: ok 8886
179: ok 8887
179: ok 8888
179: ok 8889
179: ok 8890
179: ok 8891
179: ok 8892
179: ok 8893
179: ok 8894
179: ok 8895
179: ok 8896
179: ok 8897
179: ok 8898
179: ok 8899
179: ok 8900
179: ok 8901
179: ok 8902
179: ok 8903
179: ok 8904
179: ok 8905
179: ok 8906
179: ok 8907
179: ok 8908
179: ok 8909
179: ok 8910
179: ok 8911
179: ok 8912
179: ok 8913
179: ok 8914
179: ok 8915
179: ok 8916
179: ok 8917
179: ok 8918
179: ok 8919
179: ok 8920
179: ok 8921
179: ok 8922
179: ok 8923
179: ok 8924
179: ok 8925
179: ok 8926
179: ok 8927
179: ok 8928
179: ok 8929
179: ok 8930
179: ok 8931
179: ok 8932
179: ok 8933
179: ok 8934
179: ok 8935
179: ok 8936
179: ok 8937
179: ok 8938
179: ok 8939
179: ok 8940
179: ok 8941
179: ok 8942
179: ok 8943
179: ok 8944
179: ok 8945
179: ok 8946
179: ok 8947
179: ok 8948
179: ok 8949
179: ok 8950
179: ok 8951
179: ok 8952
179: ok 8953
179: ok 8954
179: ok 8955
179: ok 8956
179: ok 8957
179: ok 8958
179: ok 8959
179: ok 8960
179: ok 8961
179: ok 8962
179: ok 8963
179: ok 8964
179: ok 8965
179: ok 8966
179: ok 8967
179: ok 8968
179: ok 8969
179: ok 8970
179: ok 8971
179: ok 8972
179: ok 8973
179: ok 8974
179: ok 8975
179: ok 8976
179: ok 8977
179: ok 8978
179: ok 8979
179: ok 8980
179: ok 8981
179: ok 8982
179: ok 8983
179: ok 8984
179: ok 8985
179: ok 8986
179: ok 8987
179: ok 8988
179: ok 8989
179: ok 8990
179: ok 8991
179: ok 8992
179: ok 8993
179: ok 8994
179: ok 8995
179: ok 8996
179: ok 8997
179: ok 8998
179: ok 8999
179: ok 9000
179: ok 9001
179: ok 9002
179: ok 9003
179: ok 9004
179: ok 9005
179: ok 9006
179: ok 9007
179: ok 9008
179: ok 9009
179: ok 9010
179: ok 9011
179: ok 9012
179: ok 9013
179: ok 9014
179: ok 9015
179: ok 9016
179: ok 9017
179: ok 9018
179: ok 9019
179: ok 9020
179: ok 9021
179: ok 9022
179: ok 9023
179: ok 9024
179: ok 9025
179: ok 9026
179: ok 9027
179: ok 9028
179: ok 9029
179: ok 9030
179: ok 9031
179: ok 9032
179: ok 9033
179: ok 9034
179: ok 9035
179: ok 9036
179: ok 9037
179: ok 9038
179: ok 9039
179: ok 9040
179: ok 9041
179: ok 9042
179: ok 9043
179: ok 9044
179: ok 9045
179: ok 9046
179: ok 9047
179: ok 9048
179: ok 9049
179: ok 9050
179: ok 9051
179: ok 9052
179: ok 9053
179: ok 9054
179: ok 9055
179: ok 9056
179: ok 9057
179: ok 9058
179: ok 9059
179: ok 9060
179: ok 9061
179: ok 9062
179: ok 9063
179: ok 9064
179: ok 9065
179: ok 9066
179: ok 9067
179: ok 9068
179: ok 9069
179: ok 9070
179: ok 9071
179: ok 9072
179: ok 9073
179: ok 9074
179: ok 9075
179: ok 9076
179: ok 9077
179: ok 9078
179: ok 9079
179: ok 9080
179: ok 9081
179: ok 9082
179: ok 9083
179: ok 9084
179: ok 9085
179: ok 9086
179: ok 9087
179: ok 9088
179: ok 9089
179: ok 9090
179: ok 9091
179: ok 9092
179: ok 9093
179: ok 9094
179: ok 9095
179: ok 9096
179: ok 9097
179: ok 9098
179: ok 9099
179: ok 9100
179: ok 9101
179: ok 9102
179: ok 9103
179: ok 9104
179: ok 9105
179: ok 9106
179: ok 9107
179: ok 9108
179: ok 9109
179: ok 9110
179: ok 9111
179: ok 9112
179: ok 9113
179: ok 9114
179: ok 9115
179: ok 9116
179: ok 9117
179: ok 9118
179: ok 9119
179: ok 9120
179: ok 9121
179: ok 9122
179: ok 9123
179: ok 9124
179: ok 9125
179: ok 9126
179: ok 9127
179: ok 9128
179: ok 9129
179: ok 9130
179: ok 9131
179: ok 9132
179: ok 9133
179: ok 9134
179: ok 9135
179: ok 9136
179: ok 9137
179: ok 9138
179: ok 9139
179: ok 9140
179: ok 9141
179: ok 9142
179: ok 9143
179: ok 9144
179: ok 9145
179: ok 9146
179: ok 9147
179: ok 9148
179: ok 9149
179: ok 9150
179: ok 9151
179: ok 9152
179: ok 9153
179: ok 9154
179: ok 9155
179: ok 9156
179: ok 9157
179: ok 9158
179: ok 9159
179: ok 9160
179: ok 9161
179: ok 9162
179: ok 9163
179: ok 9164
179: ok 9165
179: ok 9166
179: ok 9167
179: ok 9168
179: ok 9169
179: ok 9170
179: ok 9171
179: ok 9172
179: ok 9173
179: ok 9174
179: ok 9175
179: ok 9176
179: ok 9177
179: ok 9178
179: ok 9179
179: ok 9180
179: ok 9181
179: ok 9182
179: ok 9183
179: ok 9184
179: ok 9185
179: ok 9186
179: ok 9187
179: ok 9188
179: ok 9189
179: ok 9190
179: ok 9191
179: ok 9192
179: ok 9193
179: ok 9194
179: ok 9195
179: ok 9196
179: ok 9197
179: ok 9198
179: ok 9199
179: ok 9200
179: ok 9201
179: ok 9202
179: ok 9203
179: ok 9204
179: ok 9205
179: ok 9206
179: ok 9207
179: ok 9208
179: ok 9209
179: ok 9210
179: ok 9211
179: ok 9212
179: ok 9213
179: ok 9214
179: ok 9215
179: ok 9216
179: ok 9217
179: ok 9218
179: ok 9219
179: ok 9220
179: ok 9221
179: ok 9222
179: ok 9223
179: ok 9224
179: ok 9225
179: ok 9226
179: ok 9227
179: ok 9228
179: ok 9229
179: ok 9230
179: ok 9231
179: ok 9232
179: ok 9233
179: ok 9234
179: ok 9235
179: ok 9236
179: ok 9237
179: ok 9238
179: ok 9239
179: ok 9240
179: ok 9241
179: ok 9242
179: ok 9243
179: ok 9244
179: ok 9245
179: ok 9246
179: ok 9247
179: ok 9248
179: ok 9249
179: ok 9250
179: ok 9251
179: ok 9252
179: ok 9253
179: ok 9254
179: ok 9255
179: ok 9256
179: ok 9257
179: ok 9258
179: ok 9259
179: ok 9260
179: ok 9261
179: ok 9262
179: ok 9263
179: ok 9264
179: ok 9265
179: ok 9266
179: ok 9267
179: ok 9268
179: ok 9269
179: ok 9270
179: ok 9271
179: ok 9272
179: ok 9273
179: ok 9274
179: ok 9275
179: ok 9276
179: ok 9277
179: ok 9278
179: ok 9279
179: ok 9280
179: ok 9281
179: ok 9282
179: ok 9283
179: ok 9284
179: ok 9285
179: ok 9286
179: ok 9287
179: ok 9288
179: ok 9289
179: ok 9290
179: ok 9291
179: ok 9292
179: ok 9293
179: ok 9294
179: ok 9295
179: ok 9296
179: ok 9297
179: ok 9298
179: ok 9299
179: ok 9300
179: ok 9301
179: ok 9302
179: ok 9303
179: ok 9304
179: ok 9305
179: ok 9306
179: ok 9307
179: ok 9308
179: ok 9309
179: ok 9310
179: ok 9311
179: ok 9312
179: ok 9313
179: ok 9314
179: ok 9315
179: ok 9316
179: ok 9317
179: ok 9318
179: ok 9319
179: ok 9320
179: ok 9321
179: ok 9322
179: ok 9323
179: ok 9324
179: ok 9325
179: ok 9326
179: ok 9327
179: ok 9328
179: ok 9329
179: ok 9330
179: ok 9331
179: ok 9332
179: ok 9333
179: ok 9334
179: ok 9335
179: ok 9336
179: ok 9337
179: ok 9338
179: ok 9339
179: ok 9340
179: ok 9341
179: ok 9342
179: ok 9343
179: ok 9344
179: ok 9345
179: ok 9346
179: ok 9347
179: ok 9348
179: ok 9349
179: ok 9350
179: ok 9351
179: ok 9352
179: ok 9353
179: ok 9354
179: ok 9355
179: ok 9356
179: ok 9357
179: ok 9358
179: ok 9359
179: ok 9360
179: ok 9361
179: ok 9362
179: ok 9363
179: ok 9364
179: ok 9365
179: ok 9366
179: ok 9367
179: ok 9368
179: ok 9369
179: ok 9370
179: ok 9371
179: ok 9372
179: ok 9373
179: ok 9374
179: ok 9375
179: ok 9376
179: ok 9377
179: ok 9378
179: ok 9379
179: ok 9380
179: ok 9381
179: ok 9382
179: ok 9383
179: ok 9384
179: ok 9385
179: ok 9386
179: ok 9387
179: ok 9388
179: ok 9389
179: ok 9390
179: ok 9391
179: ok 9392
179: ok 9393
179: ok 9394
179: ok 9395
179: ok 9396
179: ok 9397
179: ok 9398
179: ok 9399
179: ok 9400
179: ok 9401
179: ok 9402
179: ok 9403
179: ok 9404
179: ok 9405
179: ok 9406
179: ok 9407
179: ok 9408
179: ok 9409
179: ok 9410
179: ok 9411
179: ok 9412
179: ok 9413
179: ok 9414
179: ok 9415
179: ok 9416
179: ok 9417
179: ok 9418
179: ok 9419
179: ok 9420
179: ok 9421
179: ok 9422
179: ok 9423
179: ok 9424
179: ok 9425
179: ok 9426
179: ok 9427
179: ok 9428
179: ok 9429
179: ok 9430
179: ok 9431
179: ok 9432
179: ok 9433
179: ok 9434
179: ok 9435
179: ok 9436
179: ok 9437
179: ok 9438
179: ok 9439
179: ok 9440
179: ok 9441
179: ok 9442
179: ok 9443
179: ok 9444
179: ok 9445
179: ok 9446
179: ok 9447
179: ok 9448
179: ok 9449
179: ok 9450
179: ok 9451
179: ok 9452
179: ok 9453
179: ok 9454
179: ok 9455
179: ok 9456
179: ok 9457
179: ok 9458
179: ok 9459
179: ok 9460
179: ok 9461
179: ok 9462
179: ok 9463
179: ok 9464
179: ok 9465
179: ok 9466
179: ok 9467
179: ok 9468
179: ok 9469
179: ok 9470
179: ok 9471
179: ok 9472
179: ok 9473
179: ok 9474
179: ok 9475
179: ok 9476
179: ok 9477
179: ok 9478
179: ok 9479
179: ok 9480
179: ok 9481
179: ok 9482
179: ok 9483
179: ok 9484
179: ok 9485
179: ok 9486
179: ok 9487
179: ok 9488
179: ok 9489
179: ok 9490
179: ok 9491
179: ok 9492
179: ok 9493
179: ok 9494
179: ok 9495
179: ok 9496
179: ok 9497
179: ok 9498
179: ok 9499
179: ok 9500
179: ok 9501
179: ok 9502
179: ok 9503
179: ok 9504
179: ok 9505
179: ok 9506
179: ok 9507
179: ok 9508
179: ok 9509
179: ok 9510
179: ok 9511
179: ok 9512
179: ok 9513
179: ok 9514
179: ok 9515
179: ok 9516
179: ok 9517
179: ok 9518
179: ok 9519
179: ok 9520
179: ok 9521
179: ok 9522
179: ok 9523
179: ok 9524
179: ok 9525
179: ok 9526
179: ok 9527
179: ok 9528
179: ok 9529
179: ok 9530
179: ok 9531
179: ok 9532
179: ok 9533
179: ok 9534
179: ok 9535
179: ok 9536
179: ok 9537
179: ok 9538
179: ok 9539
179: ok 9540
179: ok 9541
179: ok 9542
179: ok 9543
179: ok 9544
179: ok 9545
179: ok 9546
179: ok 9547
179: ok 9548
179: ok 9549
179: ok 9550
179: ok 9551
179: ok 9552
179: ok 9553
179: ok 9554
179: ok 9555
179: ok 9556
179: ok 9557
179: ok 9558
179: ok 9559
179: ok 9560
179: ok 9561
179: ok 9562
179: ok 9563
179: ok 9564
179: ok 9565
179: ok 9566
179: ok 9567
179: ok 9568
179: ok 9569
179: ok 9570
179: ok 9571
179: ok 9572
179: ok 9573
179: ok 9574
179: ok 9575
179: ok 9576
179: ok 9577
179: ok 9578
179: ok 9579
179: ok 9580
179: ok 9581
179: ok 9582
179: ok 9583
179: ok 9584
179: ok 9585
179: ok 9586
179: ok 9587
179: ok 9588
179: ok 9589
179: ok 9590
179: ok 9591
179: ok 9592
179: ok 9593
179: ok 9594
179: ok 9595
179: ok 9596
179: ok 9597
179: ok 9598
179: ok 9599
179: ok 9600
179: ok 9601
179: ok 9602
179: ok 9603
179: ok 9604
179: ok 9605
179: ok 9606
179: ok 9607
179: ok 9608
179: ok 9609
179: ok 9610
179: ok 9611
179: ok 9612
179: ok 9613
179: ok 9614
179: ok 9615
179: ok 9616
179: ok 9617
179: ok 9618
179: ok 9619
179: ok 9620
179: ok 9621
179: ok 9622
179: ok 9623
179: ok 9624
179: ok 9625
179: ok 9626
179: ok 9627
179: ok 9628
179: ok 9629
179: ok 9630
179: ok 9631
179: ok 9632
179: ok 9633
179: ok 9634
179: ok 9635
179: ok 9636
179: ok 9637
179: ok 9638
179: ok 9639
179: ok 9640
179: ok 9641
179: ok 9642
179: ok 9643
179: ok 9644
179: ok 9645
179: ok 9646
179: ok 9647
179: ok 9648
179: ok 9649
179: ok 9650
179: ok 9651
179: ok 9652
179: ok 9653
179: ok 9654
179: ok 9655
179: ok 9656
179: ok 9657
179: ok 9658
179: ok 9659
179: ok 9660
179: ok 9661
179: ok 9662
179: ok 9663
179: ok 9664
179: ok 9665
179: ok 9666
179: ok 9667
179: ok 9668
179: ok 9669
179: ok 9670
179: ok 9671
179: ok 9672
179: ok 9673
179: ok 9674
179: ok 9675
179: ok 9676
179: ok 9677
179: ok 9678
179: ok 9679
179: ok 9680
179: ok 9681
179: ok 9682
179: ok 9683
179: ok 9684
179: ok 9685
179: ok 9686
179: ok 9687
179: ok 9688
179: ok 9689
179: ok 9690
179: ok 9691
179: ok 9692
179: ok 9693
179: ok 9694
179: ok 9695
179: ok 9696
179: ok 9697
179: ok 9698
179: ok 9699
179: ok 9700
179: ok 9701
179: ok 9702
179: ok 9703
179: ok 9704
179: ok 9705
179: ok 9706
179: ok 9707
179: ok 9708
179: ok 9709
179: ok 9710
179: ok 9711
179: ok 9712
179: ok 9713
179: ok 9714
179: ok 9715
179: ok 9716
179: ok 9717
179: ok 9718
179: ok 9719
179: ok 9720
179: ok 9721
179: ok 9722
179: ok 9723
179: ok 9724
179: ok 9725
179: ok 9726
179: ok 9727
179: ok 9728
179: ok 9729
179: ok 9730
179: ok 9731
179: ok 9732
179: ok 9733
179: ok 9734
179: ok 9735
179: ok 9736
179: ok 9737
179: ok 9738
179: ok 9739
179: ok 9740
179: ok 9741
179: ok 9742
179: ok 9743
179: ok 9744
179: ok 9745
179: ok 9746
179: ok 9747
179: ok 9748
179: ok 9749
179: ok 9750
179: ok 9751
179: ok 9752
179: ok 9753
179: ok 9754
179: ok 9755
179: ok 9756
179: ok 9757
179: ok 9758
179: ok 9759
179: ok 9760
179: ok 9761
179: ok 9762
179: ok 9763
179: ok 9764
179: ok 9765
179: ok 9766
179: ok 9767
179: ok 9768
179: ok 9769
179: ok 9770
179: ok 9771
179: ok 9772
179: ok 9773
179: ok 9774
179: ok 9775
179: ok 9776
179: ok 9777
179: ok 9778
179: ok 9779
179: ok 9780
179: ok 9781
179: ok 9782
179: ok 9783
179: ok 9784
179: ok 9785
179: ok 9786
179: ok 9787
179: ok 9788
179: ok 9789
179: ok 9790
179: ok 9791
179: ok 9792
179: ok 9793
179: ok 9794
179: ok 9795
179: ok 9796
179: ok 9797
179: ok 9798
179: ok 9799
179: ok 9800
179: ok 9801
179: ok 9802
179: ok 9803
179: ok 9804
179: ok 9805
179: ok 9806
179: ok 9807
179: ok 9808
179: ok 9809
179: ok 9810
179: ok 9811
179: ok 9812
179: ok 9813
179: ok 9814
179: ok 9815
179: ok 9816
179: ok 9817
179: ok 9818
179: ok 9819
179: ok 9820
179: ok 9821
179: ok 9822
179: ok 9823
179: ok 9824
179: ok 9825
179: ok 9826
179: ok 9827
179: ok 9828
179: ok 9829
179: ok 9830
179: ok 9831
179: ok 9832
179: ok 9833
179: ok 9834
179: ok 9835
179: ok 9836
179: ok 9837
179: ok 9838
179: ok 9839
179: ok 9840
179: ok 9841
179: ok 9842
179: ok 9843
179: ok 9844
179: ok 9845
179: ok 9846
179: ok 9847
179: ok 9848
179: ok 9849
179: ok 9850
179: ok 9851
179: ok 9852
179: ok 9853
179: ok 9854
179: ok 9855
179: ok 9856
179: ok 9857
179: ok 9858
179: ok 9859
179: ok 9860
179: ok 9861
179: ok 9862
179: ok 9863
179: ok 9864
179: ok 9865
179: ok 9866
179: ok 9867
179: ok 9868
179: ok 9869
179: ok 9870
179: ok 9871
179: ok 9872
179: ok 9873
179: ok 9874
179: ok 9875
179: ok 9876
179: ok 9877
179: ok 9878
179: ok 9879
179: ok 9880
179: ok 9881
179: ok 9882
179: ok 9883
179: ok 9884
179: ok 9885
179: ok 9886
179: ok 9887
179: ok 9888
179: ok 9889
179: ok 9890
179: ok 9891
179: ok 9892
179: ok 9893
179: ok 9894
179: ok 9895
179: ok 9896
179: ok 9897
179: ok 9898
179: ok 9899
179: ok 9900
179: ok 9901
179: ok 9902
179: ok 9903
179: ok 9904
179: ok 9905
179: ok 9906
179: ok 9907
179: ok 9908
179: ok 9909
179: ok 9910
179: ok 9911
179: ok 9912
179: ok 9913
179: ok 9914
179: ok 9915
179: ok 9916
179: ok 9917
179: ok 9918
179: ok 9919
179: ok 9920
179: ok 9921
179: ok 9922
179: ok 9923
179: ok 9924
179: ok 9925
179: ok 9926
179: ok 9927
179: ok 9928
179: ok 9929
179: ok 9930
179: ok 9931
179: ok 9932
179: ok 9933
179: ok 9934
179: ok 9935
179: ok 9936
179: ok 9937
179: ok 9938
179: ok 9939
179: ok 9940
179: ok 9941
179: ok 9942
179: ok 9943
179: ok 9944
179: ok 9945
179: ok 9946
179: ok 9947
179: ok 9948
179: ok 9949
179: ok 9950
179: ok 9951
179: ok 9952
179: ok 9953
179: ok 9954
179: ok 9955
179: ok 9956
179: ok 9957
179: ok 9958
179: ok 9959
179: ok 9960
179: ok 9961
179: ok 9962
179: ok 9963
179: ok 9964
179: ok 9965
179: ok 9966
179: ok 9967
179: ok 9968
179: ok 9969
179: ok 9970
179: ok 9971
179: ok 9972
179: ok 9973
179: ok 9974
179: ok 9975
179: ok 9976
179: ok 9977
179: ok 9978
179: ok 9979
179: ok 9980
179: ok 9981
179: ok 9982
179: ok 9983
179: ok 9984
179: ok 9985
179: ok 9986
179: ok 9987
179: ok 9988
179: ok 9989
179: ok 9990
179: ok 9991
179: ok 9992
179: ok 9993
179: ok 9994
179: ok 9995
179: ok 9996
179: ok 9997
179: ok 9998
179: ok 9999
179: ok 10000
179: ok 10001
179: ok 10002
179: ok 10003
179: ok 10004
179: ok 10005
179: ok 10006
179: ok 10007
179: ok 10008
179: ok 10009
179: ok 10010
179: ok 10011
179: ok 10012
179: ok 10013
179: ok 10014
179: ok 10015
179: ok 10016
179: ok 10017
179: ok 10018
179: ok 10019
179: ok 10020
179: ok 10021
179: ok 10022
179: ok 10023
179: ok 10024
179: ok 10025
179: ok 10026
179: ok 10027
179: ok 10028
179: ok 10029
179: ok 10030
179: ok 10031
179: ok 10032
179: ok 10033
179: ok 10034
179: ok 10035
179: ok 10036
179: ok 10037
179: ok 10038
179: ok 10039
179: ok 10040
179: ok 10041
179: ok 10042
179: ok 10043
179: ok 10044
179: ok 10045
179: ok 10046
179: ok 10047
179: ok 10048
179: ok 10049
179: ok 10050
179: ok 10051
179: ok 10052
179: ok 10053
179: ok 10054
179: ok 10055
179: ok 10056
179: ok 10057
179: ok 10058
179: ok 10059
179: ok 10060
179: ok 10061
179: ok 10062
179: ok 10063
179: ok 10064
179: ok 10065
179: ok 10066
179: ok 10067
179: ok 10068
179: ok 10069
179: ok 10070
179: ok 10071
179: ok 10072
179: ok 10073
179: ok 10074
179: ok 10075
179: ok 10076
179: ok 10077
179: ok 10078
179: ok 10079
179: ok 10080
179: ok 10081
179: ok 10082
179: ok 10083
179: ok 10084
179: ok 10085
179: ok 10086
179: ok 10087
179: ok 10088
179: ok 10089
179: ok 10090
179: ok 10091
179: ok 10092
179: ok 10093
179: ok 10094
179: ok 10095
179: ok 10096
179: ok 10097
179: ok 10098
179: ok 10099
179: ok 10100
179: ok 10101
179: ok 10102
179: ok 10103
179: ok 10104
179: ok 10105
179: ok 10106
179: ok 10107
179: ok 10108
179: ok 10109
179: ok 10110
179: ok 10111
179: ok 10112
179: ok 10113
179: ok 10114
179: ok 10115
179: ok 10116
179: ok 10117
179: ok 10118
179: ok 10119
179: ok 10120
179: ok 10121
179: ok 10122
179: ok 10123
179: ok 10124
179: ok 10125
179: ok 10126
179: ok 10127
179: ok 10128
179: ok 10129
179: ok 10130
179: ok 10131
179: ok 10132
179: ok 10133
179: ok 10134
179: ok 10135
179: ok 10136
179: ok 10137
179: ok 10138
179: ok 10139
179: ok 10140
179: ok 10141
179: ok 10142
179: ok 10143
179: ok 10144
179: ok 10145
179: ok 10146
179: ok 10147
179: ok 10148
179: ok 10149
179: ok 10150
179: ok 10151
179: ok 10152
179: ok 10153
179: ok 10154
179: ok 10155
179: ok 10156
179: ok 10157
179: ok 10158
179: ok 10159
179: ok 10160
179: ok 10161
179: ok 10162
179: ok 10163
179: ok 10164
179: ok 10165
179: ok 10166
179: ok 10167
179: ok 10168
179: ok 10169
179: ok 10170
179: ok 10171
179: ok 10172
179: ok 10173
179: ok 10174
179: ok 10175
179: ok 10176
179: ok 10177
179: ok 10178
179: ok 10179
179: ok 10180
179: ok 10181
179: ok 10182
179: ok 10183
179: ok 10184
179: ok 10185
179: ok 10186
179: ok 10187
179: ok 10188
179: ok 10189
179: ok 10190
179: ok 10191
179: ok 10192
179: ok 10193
179: ok 10194
179: ok 10195
179: ok 10196
179: ok 10197
179: ok 10198
179: ok 10199
179: ok 10200
179: ok 10201
179: ok 10202
179: ok 10203
179: ok 10204
179: ok 10205
179: ok 10206
179: ok 10207
179: ok 10208
179: ok 10209
179: ok 10210
179: ok 10211
179: ok 10212
179: ok 10213
179: ok 10214
179: ok 10215
179: ok 10216
179: ok 10217
179: ok 10218
179: ok 10219
179: ok 10220
179: ok 10221
179: ok 10222
179: ok 10223
179: ok 10224
179: ok 10225
179: ok 10226
179: ok 10227
179: ok 10228
179: ok 10229
179: ok 10230
179: ok 10231
179: ok 10232
179: ok 10233
179: ok 10234
179: ok 10235
179: ok 10236
179: ok 10237
179: ok 10238
179: ok 10239
179: ok 10240
179: ok 10241
179: ok 10242
179: ok 10243
179: ok 10244
179: ok 10245
179: ok 10246
179: ok 10247
179: ok 10248
179: ok 10249
179: ok 10250
179: ok 10251
179: ok 10252
179: ok 10253
179: ok 10254
179: ok 10255
179: ok 10256
179: ok 10257
179: ok 10258
179: ok 10259
179: ok 10260
179: ok 10261
179: ok 10262
179: ok 10263
179: ok 10264
179: ok 10265
179: ok 10266
179: ok 10267
179: ok 10268
179: ok 10269
179: ok 10270
179: ok 10271
179: ok 10272
179: ok 10273
179: ok 10274
179: ok 10275
179: ok 10276
179: ok 10277
179: ok 10278
179: ok 10279
179: ok 10280
179: ok 10281
179: ok 10282
179: ok 10283
179: ok 10284
179: ok 10285
179: ok 10286
179: ok 10287
179: ok 10288
179: ok 10289
179: ok 10290
179: ok 10291
179: ok 10292
179: ok 10293
179: ok 10294
179: ok 10295
179: ok 10296
179: ok 10297
179: ok 10298
179: ok 10299
179: ok 10300
179: ok 10301
179: ok 10302
179: ok 10303
179: ok 10304
179: ok 10305
179: ok 10306
179: ok 10307
179: ok 10308
179: ok 10309
179: ok 10310
179: ok 10311
179: ok 10312
179: ok 10313
179: ok 10314
179: ok 10315
179: ok 10316
179: ok 10317
179: ok 10318
179: ok 10319
179: ok 10320
179: ok 10321
179: ok 10322
179: ok 10323
179: ok 10324
179: ok 10325
179: ok 10326
179: ok 10327
179: ok 10328
179: ok 10329
179: ok 10330
179: ok 10331
179: ok 10332
179: ok 10333
179: ok 10334
179: ok 10335
179: ok 10336
179: ok 10337
179: ok 10338
179: ok 10339
179: ok 10340
179: ok 10341
179: ok 10342
179: ok 10343
179: ok 10344
179: ok 10345
179: ok 10346
179: ok 10347
179: ok 10348
179: ok 10349
179: ok 10350
179: ok 10351
179: ok 10352
179: ok 10353
179: ok 10354
179: ok 10355
179: ok 10356
179: ok 10357
179: ok 10358
179: ok 10359
179: ok 10360
179: ok 10361
179: ok 10362
179: ok 10363
179: ok 10364
179: ok 10365
179: ok 10366
179: ok 10367
179: ok 10368
179: ok 10369
179: ok 10370
179: ok 10371
179: ok 10372
179: ok 10373
179: ok 10374
179: ok 10375
179: ok 10376
179: ok 10377
179: ok 10378
179: ok 10379
179: ok 10380
179: ok 10381
179: ok 10382
179: ok 10383
179: ok 10384
179: ok 10385
179: ok 10386
179: ok 10387
179: ok 10388
179: ok 10389
179: ok 10390
179: ok 10391
179: ok 10392
179: ok 10393
179: ok 10394
179: ok 10395
179: ok 10396
179: ok 10397
179: ok 10398
179: ok 10399
179: ok 10400
179: ok 10401
179: ok 10402
179: ok 10403
179: ok 10404
179: ok 10405
179: ok 10406
179: ok 10407
179: ok 10408
179: ok 10409
179: ok 10410
179: ok 10411
179: ok 10412
179: ok 10413
179: ok 10414
179: ok 10415
179: ok 10416
179: ok 10417
179: ok 10418
179: ok 10419
179: ok 10420
179: ok 10421
179: ok 10422
179: ok 10423
179: ok 10424
179: ok 10425
179: ok 10426
179: ok 10427
179: ok 10428
179: ok 10429
179: ok 10430
179: ok 10431
179: ok 10432
179: ok 10433
179: ok 10434
179: ok 10435
179: ok 10436
179: ok 10437
179: ok 10438
179: ok 10439
179: ok 10440
179: ok 10441
179: ok 10442
179: ok 10443
179: ok 10444
179: ok 10445
179: ok 10446
179: ok 10447
179: ok 10448
179: ok 10449
179: ok 10450
179: ok 10451
179: ok 10452
179: ok 10453
179: ok 10454
179: ok 10455
179: ok 10456
179: ok 10457
179: ok 10458
179: ok 10459
179: ok 10460
179: ok 10461
179: ok 10462
179: ok 10463
179: ok 10464
179: ok 10465
179: ok 10466
179: ok 10467
179: ok 10468
179: ok 10469
179: ok 10470
179: ok 10471
179: ok 10472
179: ok 10473
179: ok 10474
179: ok 10475
179: ok 10476
179: ok 10477
179: ok 10478
179: ok 10479
179: ok 10480
179: ok 10481
179: ok 10482
179: ok 10483
179: ok 10484
179: ok 10485
179: ok 10486
179: ok 10487
179: ok 10488
179: ok 10489
179: ok 10490
179: ok 10491
179: ok 10492
179: ok 10493
179: ok 10494
179: ok 10495
179: ok 10496
179: ok 10497
179: ok 10498
179: ok 10499
179: ok 10500
179: ok 10501
179: ok 10502
179: ok 10503
179: ok 10504
179: ok 10505
179: ok 10506
179: ok 10507
179: ok 10508
179: ok 10509
179: ok 10510
179: ok 10511
179: ok 10512
179: ok 10513
179: ok 10514
179: ok 10515
179: ok 10516
179: ok 10517
179: ok 10518
179: ok 10519
179: ok 10520
179: ok 10521
179: ok 10522
179: ok 10523
179: ok 10524
179: ok 10525
179: ok 10526
179: ok 10527
179: ok 10528
179: ok 10529
179: ok 10530
179: ok 10531
179: ok 10532
179: ok 10533
179: ok 10534
179: ok 10535
179: ok 10536
179: ok 10537
179: ok 10538
179: ok 10539
179: ok 10540
179: ok 10541
179: ok 10542
179: ok 10543
179: ok 10544
179: ok 10545
179: ok 10546
179: ok 10547
179: ok 10548
179: ok 10549
179: ok 10550
179: ok 10551
179: ok 10552
179: ok 10553
179: ok 10554
179: ok 10555
179: ok 10556
179: ok 10557
179: ok 10558
179: ok 10559
179: ok 10560
179: ok 10561
179: ok 10562
179: ok 10563
179: ok 10564
179: ok 10565
179: ok 10566
179: ok 10567
179: ok 10568
179: ok 10569
179: ok 10570
179: ok 10571
179: ok 10572
179: ok 10573
179: ok 10574
179: ok 10575
179: ok 10576
179: ok 10577
179: ok 10578
179: ok 10579
179: ok 10580
179: ok 10581
179: ok 10582
179: ok 10583
179: ok 10584
179: ok 10585
179: ok 10586
179: ok 10587
179: ok 10588
179: ok 10589
179: ok 10590
179: ok 10591
179: ok 10592
179: ok 10593
179: ok 10594
179: ok 10595
179: ok 10596
179: ok 10597
179: ok 10598
179: ok 10599
179: ok 10600
179: ok 10601
179: ok 10602
179: ok 10603
179: ok 10604
179: ok 10605
179: ok 10606
179: ok 10607
179: ok 10608
179: ok 10609
179: ok 10610
179: ok 10611
179: ok 10612
179: ok 10613
179: ok 10614
179: ok 10615
179: ok 10616
179: ok 10617
179: ok 10618
179: ok 10619
179: ok 10620
179: ok 10621
179: ok 10622
179: ok 10623
179: ok 10624
179: ok 10625
179: ok 10626
179: ok 10627
179: ok 10628
179: ok 10629
179: ok 10630
179: ok 10631
179: ok 10632
179: ok 10633
179: ok 10634
179: ok 10635
179: ok 10636
179: ok 10637
179: ok 10638
179: ok 10639
179: ok 10640
179: ok 10641
179: ok 10642
179: ok 10643
179: ok 10644
179: ok 10645
179: ok 10646
179: ok 10647
179: ok 10648
179: ok 10649
179: ok 10650
179: ok 10651
179: ok 10652
179: ok 10653
179: ok 10654
179: ok 10655
179: ok 10656
179: ok 10657
179: ok 10658
179: ok 10659
179: ok 10660
179: ok 10661
179: ok 10662
179: ok 10663
179: ok 10664
179: ok 10665
179: ok 10666
179: ok 10667
179: ok 10668
179: ok 10669
179: ok 10670
179: ok 10671
179: ok 10672
179: ok 10673
179: ok 10674
179: ok 10675
179: ok 10676
179: ok 10677
179: ok 10678
179: ok 10679
179: ok 10680
179: ok 10681
179: ok 10682
179: ok 10683
179: ok 10684
179: ok 10685
179: ok 10686
179: ok 10687
179: ok 10688
179: ok 10689
179: ok 10690
179: ok 10691
179: ok 10692
179: ok 10693
179: ok 10694
179: ok 10695
179: ok 10696
179: ok 10697
179: ok 10698
179: ok 10699
179: ok 10700
179: ok 10701
179: ok 10702
179: ok 10703
179: ok 10704
179: ok 10705
179: ok 10706
179: ok 10707
179: ok 10708
179: ok 10709
179: ok 10710
179: ok 10711
179: ok 10712
179: ok 10713
179: ok 10714
179: ok 10715
179: ok 10716
179: ok 10717
179: ok 10718
179: ok 10719
179: ok 10720
179: ok 10721
179: ok 10722
179: ok 10723
179: ok 10724
179: ok 10725
179: ok 10726
179: ok 10727
179: ok 10728
179: ok 10729
179: ok 10730
179: ok 10731
179: ok 10732
179: ok 10733
179: ok 10734
179: ok 10735
179: ok 10736
179: ok 10737
179: ok 10738
179: ok 10739
179: ok 10740
179: ok 10741
179: ok 10742
179: ok 10743
179: ok 10744
179: ok 10745
179: ok 10746
179: ok 10747
179: ok 10748
179: ok 10749
179: ok 10750
179: ok 10751
179: ok 10752
179: ok 10753
179: ok 10754
179: ok 10755
179: ok 10756
179: ok 10757
179: ok 10758
179: ok 10759
179: ok 10760
179: ok 10761
179: ok 10762
179: ok 10763
179: ok 10764
179: ok 10765
179: ok 10766
179: ok 10767
179: ok 10768
179: ok 10769
179: ok 10770
179: ok 10771
179: ok 10772
179: ok 10773
179: ok 10774
179: ok 10775
179: ok 10776
179: ok 10777
179: ok 10778
179: ok 10779
179: ok 10780
179: ok 10781
179: ok 10782
179: ok 10783
179: ok 10784
179: ok 10785
179: ok 10786
179: ok 10787
179: ok 10788
179: ok 10789
179: ok 10790
179: ok 10791
179: ok 10792
179: ok 10793
179: ok 10794
179: ok 10795
179: ok 10796
179: ok 10797
179: ok 10798
179: ok 10799
179: ok 10800
179: ok 10801
179: ok 10802
179: ok 10803
179: ok 10804
179: ok 10805
179: ok 10806
179: ok 10807
179: ok 10808
179: ok 10809
179: ok 10810
179: ok 10811
179: ok 10812
179: ok 10813
179: ok 10814
179: ok 10815
179: ok 10816
179: ok 10817
179: ok 10818
179: ok 10819
179: ok 10820
179: ok 10821
179: ok 10822
179: ok 10823
179: ok 10824
179: ok 10825
179: ok 10826
179: ok 10827
179: ok 10828
179: ok 10829
179: ok 10830
179: ok 10831
179: ok 10832
179: ok 10833
179: ok 10834
179: ok 10835
179: ok 10836
179: ok 10837
179: ok 10838
179: ok 10839
179: ok 10840
179: ok 10841
179: ok 10842
179: ok 10843
179: ok 10844
179: ok 10845
179: ok 10846
179: ok 10847
179: ok 10848
179: ok 10849
179: ok 10850
179: ok 10851
179: ok 10852
179: ok 10853
179: ok 10854
179: ok 10855
179: ok 10856
179: ok 10857
179: ok 10858
179: ok 10859
179: ok 10860
179: ok 10861
179: ok 10862
179: ok 10863
179: ok 10864
179: ok 10865
179: ok 10866
179: ok 10867
179: ok 10868
179: ok 10869
179: ok 10870
179: ok 10871
179: ok 10872
179: ok 10873
179: ok 10874
179: ok 10875
179: ok 10876
179: ok 10877
179: ok 10878
179: ok 10879
179: ok 10880
179: ok 10881
179: ok 10882
179: ok 10883
179: ok 10884
179: ok 10885
179: ok 10886
179: ok 10887
179: ok 10888
179: ok 10889
179: ok 10890
179: ok 10891
179: ok 10892
179: ok 10893
179: ok 10894
179: ok 10895
179: ok 10896
179: ok 10897
179: ok 10898
179: ok 10899
179: ok 10900
179: ok 10901
179: ok 10902
179: ok 10903
179: ok 10904
179: ok 10905
179: ok 10906
179: ok 10907
179: ok 10908
179: ok 10909
179: ok 10910
179: ok 10911
179: ok 10912
179: ok 10913
179: ok 10914
179: ok 10915
179: ok 10916
179: ok 10917
179: ok 10918
179: ok 10919
179: ok 10920
179: ok 10921
179: ok 10922
179: ok 10923
179: ok 10924
179: ok 10925
179: ok 10926
179: ok 10927
179: ok 10928
179: ok 10929
179: ok 10930
179: ok 10931
179: ok 10932
179: ok 10933
179: ok 10934
179: ok 10935
179: ok 10936
179: ok 10937
179: ok 10938
179: ok 10939
179: ok 10940
179: ok 10941
179: ok 10942
179: ok 10943
179: ok 10944
179: ok 10945
179: ok 10946
179: ok 10947
179: ok 10948
179: ok 10949
179: ok 10950
179: ok 10951
179: ok 10952
179: ok 10953
179: ok 10954
179: ok 10955
179: ok 10956
179: ok 10957
179: ok 10958
179: ok 10959
179: ok 10960
179: ok 10961
179: ok 10962
179: ok 10963
179: ok 10964
179: ok 10965
179: ok 10966
179: ok 10967
179: ok 10968
179: ok 10969
179: ok 10970
179: ok 10971
179: ok 10972
179: ok 10973
179: ok 10974
179: ok 10975
179: ok 10976
179: ok 10977
179: ok 10978
179: ok 10979
179: ok 10980
179: ok 10981
179: ok 10982
179: ok 10983
179: ok 10984
179: ok 10985
179: ok 10986
179: ok 10987
179: ok 10988
179: ok 10989
179: ok 10990
179: ok 10991
179: ok 10992
179: ok 10993
179: ok 10994
179: ok 10995
179: ok 10996
179: ok 10997
179: ok 10998
179: ok 10999
179: ok 11000
179: ok 11001
179: ok 11002
179: ok 11003
179: ok 11004
179: ok 11005
179: ok 11006
179: ok 11007
179: ok 11008
179: ok 11009
179: ok 11010
179: ok 11011
179: ok 11012
179: ok 11013
179: ok 11014
179: ok 11015
179: ok 11016
179: ok 11017
179: ok 11018
179: ok 11019
179: ok 11020
179: ok 11021
179: ok 11022
179: ok 11023
179: ok 11024
179: ok 11025
179: ok 11026
179: ok 11027
179: ok 11028
179: ok 11029
179: ok 11030
179: ok 11031
179: ok 11032
179: ok 11033
179: ok 11034
179: ok 11035
179: ok 11036
179: ok 11037
179: ok 11038
179: ok 11039
179: ok 11040
179: ok 11041
179: ok 11042
179: ok 11043
179: ok 11044
179: ok 11045
179: ok 11046
179: ok 11047
179: ok 11048
179: ok 11049
179: ok 11050
179: ok 11051
179: ok 11052
179: ok 11053
179: ok 11054
179: ok 11055
179: ok 11056
179: ok 11057
179: ok 11058
179: ok 11059
179: ok 11060
179: ok 11061
179: ok 11062
179: ok 11063
179: ok 11064
179: ok 11065
179: ok 11066
179: ok 11067
179: ok 11068
179: ok 11069
179: ok 11070
179: ok 11071
179: ok 11072
179: ok 11073
179: ok 11074
179: ok 11075
179: ok 11076
179: ok 11077
179: ok 11078
179: ok 11079
179: ok 11080
179: ok 11081
179: ok 11082
179: ok 11083
179: ok 11084
179: ok 11085
179: ok 11086
179: ok 11087
179: ok 11088
179: ok 11089
179: ok 11090
179: ok 11091
179: ok 11092
179: ok 11093
179: ok 11094
179: ok 11095
179: ok 11096
179: ok 11097
179: ok 11098
179: ok 11099
179: ok 11100
179: ok 11101
179: ok 11102
179: ok 11103
179: ok 11104
179: ok 11105
179: ok 11106
179: ok 11107
179: ok 11108
179: ok 11109
179: ok 11110
179: ok 11111
179: ok 11112
179: ok 11113
179: ok 11114
179: ok 11115
179: ok 11116
179: ok 11117
179: ok 11118
179: ok 11119
179: ok 11120
179: ok 11121
179: ok 11122
179: ok 11123
179: ok 11124
179: ok 11125
179: ok 11126
179: ok 11127
179: ok 11128
179: ok 11129
179: ok 11130
179: ok 11131
179: ok 11132
179: ok 11133
179: ok 11134
179: ok 11135
179: ok 11136
179: ok 11137
179: ok 11138
179: ok 11139
179: ok 11140
179: ok 11141
179: ok 11142
179: ok 11143
179: ok 11144
179: ok 11145
179: ok 11146
179: ok 11147
179: ok 11148
179: ok 11149
179: ok 11150
179: ok 11151
179: ok 11152
179: ok 11153
179: ok 11154
179: ok 11155
179: ok 11156
179: ok 11157
179: ok 11158
179: ok 11159
179: ok 11160
179: ok 11161
179: ok 11162
179: ok 11163
179: ok 11164
179: ok 11165
179: ok 11166
179: ok 11167
179: ok 11168
179: ok 11169
179: ok 11170
179: ok 11171
179: ok 11172
179: ok 11173
179: ok 11174
179: ok 11175
179: ok 11176
179: ok 11177
179: ok 11178
179: ok 11179
179: ok 11180
179: ok 11181
179: ok 11182
179: ok 11183
179: ok 11184
179: ok 11185
179: ok 11186
179: ok 11187
179: ok 11188
179: ok 11189
179: ok 11190
179: ok 11191
179: ok 11192
179: ok 11193
179: ok 11194
179: ok 11195
179: ok 11196
179: ok 11197
179: ok 11198
179: ok 11199
179: ok 11200
179: ok 11201
179: ok 11202
179: ok 11203
179: ok 11204
179: ok 11205
179: ok 11206
179: ok 11207
179: ok 11208
179: ok 11209
179: ok 11210
179: ok 11211
179: ok 11212
179: ok 11213
179: ok 11214
179: ok 11215
179: ok 11216
179: ok 11217
179: ok 11218
179: ok 11219
179: ok 11220
179: ok 11221
179: ok 11222
179: ok 11223
179: ok 11224
179: ok 11225
179: ok 11226
179: ok 11227
179: ok 11228
179: ok 11229
179: ok 11230
179: ok 11231
179: ok 11232
179: ok 11233
179: ok 11234
179: ok 11235
179: ok 11236
179: ok 11237
179: ok 11238
179: ok 11239
179: ok 11240
179: ok 11241
179: ok 11242
179: ok 11243
179: ok 11244
179: ok 11245
179: ok 11246
179: ok 11247
179: ok 11248
179: ok 11249
179: ok 11250
179: ok 11251
179: ok 11252
179: ok 11253
179: ok 11254
179: ok 11255
179: ok 11256
179: ok 11257
179: ok 11258
179: ok 11259
179: ok 11260
179: ok 11261
179: ok 11262
179: ok 11263
179: ok 11264
179: ok 11265
179: ok 11266
179: ok 11267
179: ok 11268
179: ok 11269
179: ok 11270
179: ok 11271
179: ok 11272
179: ok 11273
179: ok 11274
179: ok 11275
179: ok 11276
179: ok 11277
179: ok 11278
179: ok 11279
179: ok 11280
179: ok 11281
179: ok 11282
179: ok 11283
179: ok 11284
179: ok 11285
179: ok 11286
179: ok 11287
179: ok 11288
179: ok 11289
179: ok 11290
179: ok 11291
179: ok 11292
179: ok 11293
179: ok 11294
179: ok 11295
179: ok 11296
179: ok 11297
179: ok 11298
179: ok 11299
179: ok 11300
179: ok 11301
179: ok 11302
179: ok 11303
179: ok 11304
179: ok 11305
179: ok 11306
179: ok 11307
179: ok 11308
179: ok 11309
179: ok 11310
179: ok 11311
179: ok 11312
179: ok 11313
179: ok 11314
179: ok 11315
179: ok 11316
179: ok 11317
179: ok 11318
179: ok 11319
179: ok 11320
179: ok 11321
179: ok 11322
179: ok 11323
179: ok 11324
179: ok 11325
179: ok 11326
179: ok 11327
179: ok 11328
179: ok 11329
179: ok 11330
179: ok 11331
179: ok 11332
179: ok 11333
179: ok 11334
179: ok 11335
179: ok 11336
179: ok 11337
179: ok 11338
179: ok 11339
179: ok 11340
179: ok 11341
179: ok 11342
179: ok 11343
179: ok 11344
179: ok 11345
179: ok 11346
179: ok 11347
179: ok 11348
179: ok 11349
179: ok 11350
179: ok 11351
179: ok 11352
179: ok 11353
179: ok 11354
179: ok 11355
179: ok 11356
179: ok 11357
179: ok 11358
179: ok 11359
179: ok 11360
179: ok 11361
179: ok 11362
179: ok 11363
179: ok 11364
179: ok 11365
179: ok 11366
179: ok 11367
179: ok 11368
179: ok 11369
179: ok 11370
179: ok 11371
179: ok 11372
179: ok 11373
179: ok 11374
179: ok 11375
179: ok 11376
179: ok 11377
179: ok 11378
179: ok 11379
179: ok 11380
179: ok 11381
179: ok 11382
179: ok 11383
179: ok 11384
179: ok 11385
179: ok 11386
179: ok 11387
179: ok 11388
179: ok 11389
179: ok 11390
179: ok 11391
179: ok 11392
179: ok 11393
179: ok 11394
179: ok 11395
179: ok 11396
179: ok 11397
179: ok 11398
179: ok 11399
179: ok 11400
179: ok 11401
179: ok 11402
179: ok 11403
179: ok 11404
179: ok 11405
179: ok 11406
179: ok 11407
179: ok 11408
179: ok 11409
179: ok 11410
179: ok 11411
179: ok 11412
179: ok 11413
179: ok 11414
179: ok 11415
179: ok 11416
179: ok 11417
179: ok 11418
179: ok 11419
179: ok 11420
179: ok 11421
179: ok 11422
179: ok 11423
179: ok 11424
179: ok 11425
179: ok 11426
179: ok 11427
179: ok 11428
179: ok 11429
179: ok 11430
179: ok 11431
179: ok 11432
179: ok 11433
179: ok 11434
179: ok 11435
179: ok 11436
179: ok 11437
179: ok 11438
179: ok 11439
179: ok 11440
179: ok 11441
179: ok 11442
179: ok 11443
179: ok 11444
179: ok 11445
179: ok 11446
179: ok 11447
179: ok 11448
179: ok 11449
179: ok 11450
179: ok 11451
179: ok 11452
179: ok 11453
179: ok 11454
179: ok 11455
179: ok 11456
179: ok 11457
179: ok 11458
179: ok 11459
179: ok 11460
179: ok 11461
179: ok 11462
179: ok 11463
179: ok 11464
179: ok 11465
179: ok 11466
179: ok 11467
179: ok 11468
179: ok 11469
179: ok 11470
179: ok 11471
179: ok 11472
179: ok 11473
179: ok 11474
179: ok 11475
179: ok 11476
179: ok 11477
179: ok 11478
179: ok 11479
179: ok 11480
179: ok 11481
179: ok 11482
179: ok 11483
179: ok 11484
179: ok 11485
179: ok 11486
179: ok 11487
179: ok 11488
179: ok 11489
179: ok 11490
179: ok 11491
179: ok 11492
179: ok 11493
179: ok 11494
179: ok 11495
179: ok 11496
179: ok 11497
179: ok 11498
179: ok 11499
179: ok 11500
179: ok 11501
179: ok 11502
179: ok 11503
179: ok 11504
179: ok 11505
179: ok 11506
179: ok 11507
179: ok 11508
179: ok 11509
179: ok 11510
179: ok 11511
179: ok 11512
179: ok 11513
179: ok 11514
179: ok 11515
179: ok 11516
179: ok 11517
179: ok 11518
179: ok 11519
179: ok 11520
179: ok 11521
179: ok 11522
179: ok 11523
179: ok 11524
179: ok 11525
179: ok 11526
179: ok 11527
179: ok 11528
179: ok 11529
179: ok 11530
179: ok 11531
179: ok 11532
179: ok 11533
179: ok 11534
179: ok 11535
179: ok 11536
179: ok 11537
179: ok 11538
179: ok 11539
179: ok 11540
179: ok 11541
179: ok 11542
179: ok 11543
179: ok 11544
179: ok 11545
179: ok 11546
179: ok 11547
179: ok 11548
179: ok 11549
179: ok 11550
179: ok 11551
179: ok 11552
179: ok 11553
179: ok 11554
179: ok 11555
179: ok 11556
179: ok 11557
179: ok 11558
179: ok 11559
179: ok 11560
179: ok 11561
179: ok 11562
179: ok 11563
179: ok 11564
179: ok 11565
179: ok 11566
179: ok 11567
179: ok 11568
179: ok 11569
179: ok 11570
179: ok 11571
179: ok 11572
179: ok 11573
179: ok 11574
179: ok 11575
179: ok 11576
179: ok 11577
179: ok 11578
179: ok 11579
179: ok 11580
179: ok 11581
179: ok 11582
179: ok 11583
179: ok 11584
179: ok 11585
179: ok 11586
179: ok 11587
179: ok 11588
179: ok 11589
179: ok 11590
179: ok 11591
179: ok 11592
179: ok 11593
179: ok 11594
179: ok 11595
179: ok 11596
179: ok 11597
179: ok 11598
179: ok 11599
179: ok 11600
179: ok 11601
179: ok 11602
179: ok 11603
179: ok 11604
179: ok 11605
179: ok 11606
179: ok 11607
179: ok 11608
179: ok 11609
179: ok 11610
179: ok 11611
179: ok 11612
179: ok 11613
179: ok 11614
179: ok 11615
179: ok 11616
179: ok 11617
179: ok 11618
179: ok 11619
179: ok 11620
179: ok 11621
179: ok 11622
179: ok 11623
179: ok 11624
179: ok 11625
179: ok 11626
179: ok 11627
179: ok 11628
179: ok 11629
179: ok 11630
179: ok 11631
179: ok 11632
179: ok 11633
179: ok 11634
179: ok 11635
179: ok 11636
179: ok 11637
179: ok 11638
179: ok 11639
179: ok 11640
179: ok 11641
179: ok 11642
179: ok 11643
179: ok 11644
179: ok 11645
179: ok 11646
179: ok 11647
179: ok 11648
179: ok 11649
179: ok 11650
179: ok 11651
179: ok 11652
179: ok 11653
179: ok 11654
179: ok 11655
179: ok 11656
179: ok 11657
179: ok 11658
179: ok 11659
179: ok 11660
179: ok 11661
179: ok 11662
179: ok 11663
179: ok 11664
179: ok 11665
179: ok 11666
179: ok 11667
179: ok 11668
179: ok 11669
179: ok 11670
179: ok 11671
179: ok 11672
179: ok 11673
179: ok 11674
179: ok 11675
179: ok 11676
179: ok 11677
179: ok 11678
179: ok 11679
179: ok 11680
179: ok 11681
179: ok 11682
179: ok 11683
179: ok 11684
179: ok 11685
179: ok 11686
179: ok 11687
179: ok 11688
179: ok 11689
179: ok 11690
179: ok 11691
179: ok 11692
179: ok 11693
179: ok 11694
179: ok 11695
179: ok 11696
179: ok 11697
179: ok 11698
179: ok 11699
179: ok 11700
179: ok 11701
179: ok 11702
179: ok 11703
179: ok 11704
179: ok 11705
179: ok 11706
179: ok 11707
179: ok 11708
179: ok 11709
179: ok 11710
179: ok 11711
179: ok 11712
179: ok 11713
179: ok 11714
179: ok 11715
179: ok 11716
179: ok 11717
179: ok 11718
179: ok 11719
179: ok 11720
179: ok 11721
179: ok 11722
179: ok 11723
179: ok 11724
179: ok 11725
179: ok 11726
179: ok 11727
179: ok 11728
179: ok 11729
179: ok 11730
179: ok 11731
179: ok 11732
179: ok 11733
179: ok 11734
179: ok 11735
179: ok 11736
179: ok 11737
179: ok 11738
179: ok 11739
179: ok 11740
179: ok 11741
179: ok 11742
179: ok 11743
179: ok 11744
179: ok 11745
179: ok 11746
179: ok 11747
179: ok 11748
179: ok 11749
179: ok 11750
179: ok 11751
179: ok 11752
179: ok 11753
179: ok 11754
179: ok 11755
179: ok 11756
179: ok 11757
179: ok 11758
179: ok 11759
179: ok 11760
179: ok 11761
179: ok 11762
179: ok 11763
179: ok 11764
179: ok 11765
179: ok 11766
179: ok 11767
179: ok 11768
179: ok 11769
179: ok 11770
179: ok 11771
179: ok 11772
179: ok 11773
179: ok 11774
179: ok 11775
179: ok 11776
179: ok 11777
179: ok 11778
179: ok 11779
179: ok 11780
179: ok 11781
179: ok 11782
179: ok 11783
179: ok 11784
179: ok 11785
179: ok 11786
179: ok 11787
179: ok 11788
179: ok 11789
179: ok 11790
179: ok 11791
179: ok 11792
179: ok 11793
179: ok 11794
179: ok 11795
179: ok 11796
179: ok 11797
179: ok 11798
179: ok 11799
179: ok 11800
179: ok 11801
179: ok 11802
179: ok 11803
179: ok 11804
179: ok 11805
179: ok 11806
179: ok 11807
179: ok 11808
179: ok 11809
179: ok 11810
179: ok 11811
179: ok 11812
179: ok 11813
179: ok 11814
179: ok 11815
179: ok 11816
179: ok 11817
179: ok 11818
179: ok 11819
179: ok 11820
179: ok 11821
179: ok 11822
179: ok 11823
179: ok 11824
179: ok 11825
179: ok 11826
179: ok 11827
179: ok 11828
179: ok 11829
179: ok 11830
179: ok 11831
179: ok 11832
179: ok 11833
179: ok 11834
179: ok 11835
179: ok 11836
179: ok 11837
179: ok 11838
179: ok 11839
179: ok 11840
179: ok 11841
179: ok 11842
179: ok 11843
179: ok 11844
179: ok 11845
179: ok 11846
179: ok 11847
179: ok 11848
179: ok 11849
179: ok 11850
179: ok 11851
179: ok 11852
179: ok 11853
179: ok 11854
179: ok 11855
179: ok 11856
179: ok 11857
179: ok 11858
179: ok 11859
179: ok 11860
179: ok 11861
179: ok 11862
179: ok 11863
179: ok 11864
179: ok 11865
179: ok 11866
179: ok 11867
179: ok 11868
179: ok 11869
179: ok 11870
179: ok 11871
179: ok 11872
179: ok 11873
179: ok 11874
179: ok 11875
179: ok 11876
179: ok 11877
179: ok 11878
179: ok 11879
179: ok 11880
179: ok 11881
179: ok 11882
179: ok 11883
179: ok 11884
179: ok 11885
179: ok 11886
179: ok 11887
179: ok 11888
179: ok 11889
179: ok 11890
179: ok 11891
179: ok 11892
179: ok 11893
179: ok 11894
179: ok 11895
179: ok 11896
179: ok 11897
179: ok 11898
179: ok 11899
179: ok 11900
179: ok 11901
179: ok 11902
179: ok 11903
179: ok 11904
179: ok 11905
179: ok 11906
179: ok 11907
179: ok 11908
179: ok 11909
179: ok 11910
179: ok 11911
179: ok 11912
179: ok 11913
179: ok 11914
179: ok 11915
179: ok 11916
179: ok 11917
179: ok 11918
179: ok 11919
179: ok 11920
179: ok 11921
179: ok 11922
179: ok 11923
179: ok 11924
179: ok 11925
179: ok 11926
179: ok 11927
179: ok 11928
179: ok 11929
179: ok 11930
179: ok 11931
179: ok 11932
179: ok 11933
179: ok 11934
179: ok 11935
179: ok 11936
179: ok 11937
179: ok 11938
179: ok 11939
179: ok 11940
179: ok 11941
179: ok 11942
179: ok 11943
179: ok 11944
179: ok 11945
179: ok 11946
179: ok 11947
179: ok 11948
179: ok 11949
179: ok 11950
179: ok 11951
179: ok 11952
179: ok 11953
179: ok 11954
179: ok 11955
179: ok 11956
179: ok 11957
179: ok 11958
179: ok 11959
179: ok 11960
179: ok 11961
179: ok 11962
179: ok 11963
179: ok 11964
179: ok 11965
179: ok 11966
179: ok 11967
179: ok 11968
179: ok 11969
179: ok 11970
179: ok 11971
179: ok 11972
179: ok 11973
179: ok 11974
179: ok 11975
179: ok 11976
179: ok 11977
179: ok 11978
179: ok 11979
179: ok 11980
179: ok 11981
179: ok 11982
179: ok 11983
179: ok 11984
179: ok 11985
179: ok 11986
179: ok 11987
179: ok 11988
179: ok 11989
179: ok 11990
179: ok 11991
179: ok 11992
179: ok 11993
179: ok 11994
179: ok 11995
179: ok 11996
179: ok 11997
179: ok 11998
179: ok 11999
179: ok 12000
179: ok 12001
179: ok 12002
179: ok 12003
179: ok 12004
179: ok 12005
179: ok 12006
179: ok 12007
179: ok 12008
179: ok 12009
179: ok 12010
179: ok 12011
179: ok 12012
179: ok 12013
179: ok 12014
179: ok 12015
179: ok 12016
179: ok 12017
179: ok 12018
179: ok 12019
179: ok 12020
179: ok 12021
179: ok 12022
179: ok 12023
179: ok 12024
179: ok 12025
179: ok 12026
179: ok 12027
179: ok 12028
179: ok 12029
179: ok 12030
179: ok 12031
179: ok 12032
179: ok 12033
179: ok 12034
179: ok 12035
179: ok 12036
179: ok 12037
179: ok 12038
179: ok 12039
179: ok 12040
179: ok 12041
179: ok 12042
179: ok 12043
179: ok 12044
179: ok 12045
179: ok 12046
179: ok 12047
179: ok 12048
179: ok 12049
179: ok 12050
179: ok 12051
179: ok 12052
179: ok 12053
179: ok 12054
179: ok 12055
179: ok 12056
179: ok 12057
179: ok 12058
179: ok 12059
179: ok 12060
179: ok 12061
179: ok 12062
179: ok 12063
179: ok 12064
179: ok 12065
179: ok 12066
179: ok 12067
179: ok 12068
179: ok 12069
179: ok 12070
179: ok 12071
179: ok 12072
179: ok 12073
179: ok 12074
179: ok 12075
179: ok 12076
179: ok 12077
179: ok 12078
179: ok 12079
179: ok 12080
179: ok 12081
179: ok 12082
179: ok 12083
179: ok 12084
179: ok 12085
179: ok 12086
179: ok 12087
179: ok 12088
179: ok 12089
179: ok 12090
179: ok 12091
179: ok 12092
179: ok 12093
179: ok 12094
179: ok 12095
179: ok 12096
179: ok 12097
179: ok 12098
179: ok 12099
179: ok 12100
179: ok 12101
179: ok 12102
179: ok 12103
179: ok 12104
179: ok 12105
179: ok 12106
179: ok 12107
179: ok 12108
179: ok 12109
179: ok 12110
179: ok 12111
179: ok 12112
179: ok 12113
179: ok 12114
179: ok 12115
179: ok 12116
179: ok 12117
179: ok 12118
179: ok 12119
179: ok 12120
179: ok 12121
179: ok 12122
179: ok 12123
179: ok 12124
179: ok 12125
179: ok 12126
179: ok 12127
179: ok 12128
179: ok 12129
179: ok 12130
179: ok 12131
179: ok 12132
179: ok 12133
179: ok 12134
179: ok 12135
179: ok 12136
179: ok 12137
179: ok 12138
179: ok 12139
179: ok 12140
179: ok 12141
179: ok 12142
179: ok 12143
179: ok 12144
179: ok 12145
179: ok 12146
179: ok 12147
179: ok 12148
179: ok 12149
179: ok 12150
179: ok 12151
179: ok 12152
179: ok 12153
179: ok 12154
179: ok 12155
179: ok 12156
179: ok 12157
179: ok 12158
179: ok 12159
179: ok 12160
179: ok 12161
179: ok 12162
179: ok 12163
179: ok 12164
179: ok 12165
179: ok 12166
179: ok 12167
179: ok 12168
179: ok 12169
179: ok 12170
179: ok 12171
179: ok 12172
179: ok 12173
179: ok 12174
179: ok 12175
179: ok 12176
179: ok 12177
179: ok 12178
179: ok 12179
179: ok 12180
179: ok 12181
179: ok 12182
179: ok 12183
179: ok 12184
179: ok 12185
179: ok 12186
179: ok 12187
179: ok 12188
179: ok 12189
179: ok 12190
179: ok 12191
179: ok 12192
179: ok 12193
179: ok 12194
179: ok 12195
179: ok 12196
179: ok 12197
179: ok 12198
179: ok 12199
179: ok 12200
179: ok 12201
179: ok 12202
179: ok 12203
179: ok 12204
179: ok 12205
179: ok 12206
179: ok 12207
179: ok 12208
179: ok 12209
179: ok 12210
179: ok 12211
179: ok 12212
179: ok 12213
179: ok 12214
179: ok 12215
179: ok 12216
179: ok 12217
179: ok 12218
179: ok 12219
179: ok 12220
179: ok 12221
179: ok 12222
179: ok 12223
179: ok 12224
179: ok 12225
179: ok 12226
179: ok 12227
179: ok 12228
179: ok 12229
179: ok 12230
179: ok 12231
179: ok 12232
179: ok 12233
179: ok 12234
179: ok 12235
179: ok 12236
179: ok 12237
179: ok 12238
179: ok 12239
179: ok 12240
179: ok 12241
179: ok 12242
179: ok 12243
179: ok 12244
179: ok 12245
179: ok 12246
179: ok 12247
179: ok 12248
179: ok 12249
179: ok 12250
179: ok 12251
179: ok 12252
179: ok 12253
179: ok 12254
179: ok 12255
179: ok 12256
179: ok 12257
179: ok 12258
179: ok 12259
179: ok 12260
179: ok 12261
179: ok 12262
179: ok 12263
179: ok 12264
179: ok 12265
179: ok 12266
179: ok 12267
179: ok 12268
179: ok 12269
179: ok 12270
179: ok 12271
179: ok 12272
179: ok 12273
179: ok 12274
179: ok 12275
179: ok 12276
179: ok 12277
179: ok 12278
179: ok 12279
179: ok 12280
179: ok 12281
179: ok 12282
179: ok 12283
179: ok 12284
179: ok 12285
179: ok 12286
179: ok 12287
179: ok 12288
179: ok 12289
179: ok 12290
179: ok 12291
179: ok 12292
179: ok 12293
179: ok 12294
179: ok 12295
179: ok 12296
179: ok 12297
179: ok 12298
179: ok 12299
179: ok 12300
179: ok 12301
179: ok 12302
179: ok 12303
179: ok 12304
179: ok 12305
179: ok 12306
179: ok 12307
179: ok 12308
179: ok 12309
179: ok 12310
179: ok 12311
179: ok 12312
179: ok 12313
179: ok 12314
179: ok 12315
179: ok 12316
179: ok 12317
179: ok 12318
179: ok 12319
179: ok 12320
179: ok 12321
179: ok 12322
179: ok 12323
179: ok 12324
179: ok 12325
179: ok 12326
179: ok 12327
179: ok 12328
179: ok 12329
179: ok 12330
179: ok 12331
179: ok 12332
179: ok 12333
179: ok 12334
179: ok 12335
179: ok 12336
179: ok 12337
179: ok 12338
179: ok 12339
179: ok 12340
179: ok 12341
179: ok 12342
179: ok 12343
179: ok 12344
179: ok 12345
179: ok 12346
179: ok 12347
179: ok 12348
179: ok 12349
179: ok 12350
179: ok 12351
179: ok 12352
179: ok 12353
179: ok 12354
179: ok 12355
179: ok 12356
179: ok 12357
179: ok 12358
179: ok 12359
179: ok 12360
179: ok 12361
179: ok 12362
179: ok 12363
179: ok 12364
179: ok 12365
179: ok 12366
179: ok 12367
179: ok 12368
179: ok 12369
179: ok 12370
179: ok 12371
179: ok 12372
179: ok 12373
179: ok 12374
179: ok 12375
179: ok 12376
179: ok 12377
179: ok 12378
179: ok 12379
179: ok 12380
179: ok 12381
179: ok 12382
179: ok 12383
179: ok 12384
179: ok 12385
179: ok 12386
179: ok 12387
179: ok 12388
179: ok 12389
179: ok 12390
179: ok 12391
179: ok 12392
179: ok 12393
179: ok 12394
179: ok 12395
179: ok 12396
179: ok 12397
179: ok 12398
179: ok 12399
179: ok 12400
179: ok 12401
179: ok 12402
179: ok 12403
179: ok 12404
179: ok 12405
179: ok 12406
179: ok 12407
179: ok 12408
179: ok 12409
179: ok 12410
179: ok 12411
179: ok 12412
179: ok 12413
179: ok 12414
179: ok 12415
179: ok 12416
179: ok 12417
179: ok 12418
179: ok 12419
179: ok 12420
179: ok 12421
179: ok 12422
179: ok 12423
179: ok 12424
179: ok 12425
179: ok 12426
179: ok 12427
179: ok 12428
179: ok 12429
179: ok 12430
179: ok 12431
179: ok 12432
179: ok 12433
179: ok 12434
179: ok 12435
179: ok 12436
179: ok 12437
179: ok 12438
179: ok 12439
179: ok 12440
179: ok 12441
179: ok 12442
179: ok 12443
179: ok 12444
179: ok 12445
179: ok 12446
179: ok 12447
179: ok 12448
179: ok 12449
179: ok 12450
179: ok 12451
179: ok 12452
179: ok 12453
179: ok 12454
179: ok 12455
179: ok 12456
179: ok 12457
179: ok 12458
179: ok 12459
179: ok 12460
179: ok 12461
179: ok 12462
179: ok 12463
179: ok 12464
179: ok 12465
179: ok 12466
179: ok 12467
179: ok 12468
179: ok 12469
179: ok 12470
179: ok 12471
179: ok 12472
179: ok 12473
179: ok 12474
179: ok 12475
179: ok 12476
179: ok 12477
179: ok 12478
179: ok 12479
179: ok 12480
179: ok 12481
179: ok 12482
179: ok 12483
179: ok 12484
179: ok 12485
179: ok 12486
179: ok 12487
179: ok 12488
179: ok 12489
179: ok 12490
179: ok 12491
179: ok 12492
179: ok 12493
179: ok 12494
179: ok 12495
179: ok 12496
179: ok 12497
179: ok 12498
179: ok 12499
179: ok 12500
179: ok 12501
179: ok 12502
179: ok 12503
179: ok 12504
179: ok 12505
179: ok 12506
179: ok 12507
179: ok 12508
179: ok 12509
179: ok 12510
179: ok 12511
179: ok 12512
179: ok 12513
179: ok 12514
179: ok 12515
179: ok 12516
179: ok 12517
179: ok 12518
179: ok 12519
179: ok 12520
179: ok 12521
179: ok 12522
179: ok 12523
179: ok 12524
179: ok 12525
179: ok 12526
179: ok 12527
179: ok 12528
179: ok 12529
179: ok 12530
179: ok 12531
179: ok 12532
179: ok 12533
179: ok 12534
179: ok 12535
179: ok 12536
179: ok 12537
179: ok 12538
179: ok 12539
179: ok 12540
179: ok 12541
179: ok 12542
179: ok 12543
179: ok 12544
179: ok 12545
179: ok 12546
179: ok 12547
179: ok 12548
179: ok 12549
179: ok 12550
179: ok 12551
179: ok 12552
179: ok 12553
179: ok 12554
179: ok 12555
179: ok 12556
179: ok 12557
179: ok 12558
179: ok 12559
179: ok 12560
179: ok 12561
179: ok 12562
179: ok 12563
179: ok 12564
179: ok 12565
179: ok 12566
179: ok 12567
179: ok 12568
179: ok 12569
179: ok 12570
179: ok 12571
179: ok 12572
179: ok 12573
179: ok 12574
179: ok 12575
179: ok 12576
179: ok 12577
179: ok 12578
179: ok 12579
179: ok 12580
179: ok 12581
179: ok 12582
179: ok 12583
179: ok 12584
179: ok 12585
179: ok 12586
179: ok 12587
179: ok 12588
179: ok 12589
179: ok 12590
179: ok 12591
179: ok 12592
179: ok 12593
179: ok 12594
179: ok 12595
179: ok 12596
179: ok 12597
179: ok 12598
179: ok 12599
179: ok 12600
179: ok 12601
179: ok 12602
179: ok 12603
179: ok 12604
179: ok 12605
179: ok 12606
179: ok 12607
179: ok 12608
179: ok 12609
179: ok 12610
179: ok 12611
179: ok 12612
179: ok 12613
179: ok 12614
179: ok 12615
179: ok 12616
179: ok 12617
179: ok 12618
179: ok 12619
179: ok 12620
179: ok 12621
179: ok 12622
179: ok 12623
179: ok 12624
179: ok 12625
179: ok 12626
179: ok 12627
179: ok 12628
179: ok 12629
179: ok 12630
179: ok 12631
179: ok 12632
179: ok 12633
179: ok 12634
179: ok 12635
179: ok 12636
179: ok 12637
179: ok 12638
179: ok 12639
179: ok 12640
179: ok 12641
179: ok 12642
179: ok 12643
179: ok 12644
179: ok 12645
179: ok 12646
179: ok 12647
179: ok 12648
179: ok 12649
179: ok 12650
179: ok 12651
179: ok 12652
179: ok 12653
179: ok 12654
179: ok 12655
179: ok 12656
179: ok 12657
179: ok 12658
179: ok 12659
179: ok 12660
179: ok 12661
179: ok 12662
179: ok 12663
179: ok 12664
179: ok 12665
179: ok 12666
179: ok 12667
179: ok 12668
179: ok 12669
179: ok 12670
179: ok 12671
179: ok 12672
179: ok 12673
179: ok 12674
179: ok 12675
179: ok 12676
179: ok 12677
179: ok 12678
179: ok 12679
179: ok 12680
179: ok 12681
179: ok 12682
179: ok 12683
179: ok 12684
179: ok 12685
179: ok 12686
179: ok 12687
179: ok 12688
179: ok 12689
179: ok 12690
179: ok 12691
179: ok 12692
179: ok 12693
179: ok 12694
179: ok 12695
179: ok 12696
179: ok 12697
179: ok 12698
179: ok 12699
179: ok 12700
179: ok 12701
179: ok 12702
179: ok 12703
179: ok 12704
179: ok 12705
179: ok 12706
179: ok 12707
179: ok 12708
179: ok 12709
179: ok 12710
179: ok 12711
179: ok 12712
179: ok 12713
179: ok 12714
179: ok 12715
179: ok 12716
179: ok 12717
179: ok 12718
179: ok 12719
179: ok 12720
179: ok 12721
179: ok 12722
179: ok 12723
179: ok 12724
179: ok 12725
179: ok 12726
179: ok 12727
179: ok 12728
179: ok 12729
179: ok 12730
179: ok 12731
179: ok 12732
179: ok 12733
179: ok 12734
179: ok 12735
179: ok 12736
179: ok 12737
179: ok 12738
179: ok 12739
179: ok 12740
179: ok 12741
179: ok 12742
179: ok 12743
179: ok 12744
179: ok 12745
179: ok 12746
179: ok 12747
179: ok 12748
179: ok 12749
179: ok 12750
179: ok 12751
179: ok 12752
179: ok 12753
179: ok 12754
179: ok 12755
179: ok 12756
179: ok 12757
179: ok 12758
179: ok 12759
179: ok 12760
179: ok 12761
179: ok 12762
179: ok 12763
179: ok 12764
179: ok 12765
179: ok 12766
179: ok 12767
179: ok 12768
179: ok 12769
179: ok 12770
179: ok 12771
179: ok 12772
179: ok 12773
179: ok 12774
179: ok 12775
179: ok 12776
179: ok 12777
179: ok 12778
179: ok 12779
179: ok 12780
179: ok 12781
179: ok 12782
179: ok 12783
179: ok 12784
179: ok 12785
179: ok 12786
179: ok 12787
179: ok 12788
179: ok 12789
179: ok 12790
179: ok 12791
179: ok 12792
179: ok 12793
179: ok 12794
179: ok 12795
179: ok 12796
179: ok 12797
179: ok 12798
179: ok 12799
179: ok 12800
179: ok 12801
179: ok 12802
179: ok 12803
179: ok 12804
179: ok 12805
179: ok 12806
179: ok 12807
179: ok 12808
179: ok 12809
179: ok 12810
179: ok 12811
179: ok 12812
179: ok 12813
179: ok 12814
179: ok 12815
179: ok 12816
179: ok 12817
179: ok 12818
179: ok 12819
179: ok 12820
179: ok 12821
179: ok 12822
179: ok 12823
179: ok 12824
179: ok 12825
179: ok 12826
179: ok 12827
179: ok 12828
179: ok 12829
179: ok 12830
179: ok 12831
179: ok 12832
179: ok 12833
179: ok 12834
179: ok 12835
179: ok 12836
179: ok 12837
179: ok 12838
179: ok 12839
179: ok 12840
179: ok 12841
179: ok 12842
179: ok 12843
179: ok 12844
179: ok 12845
179: ok 12846
179: ok 12847
179: ok 12848
179: ok 12849
179: ok 12850
179: ok 12851
179: ok 12852
179: ok 12853
179: ok 12854
179: ok 12855
179: ok 12856
179: ok 12857
179: ok 12858
179: ok 12859
179: ok 12860
179: ok 12861
179: ok 12862
179: ok 12863
179: ok 12864
179: ok 12865
179: ok 12866
179: ok 12867
179: ok 12868
179: ok 12869
179: ok 12870
179: ok 12871
179: ok 12872
179: ok 12873
179: ok 12874
179: ok 12875
179: ok 12876
179: ok 12877
179: ok 12878
179: ok 12879
179: ok 12880
179: ok 12881
179: ok 12882
179: ok 12883
179: ok 12884
179: ok 12885
179: ok 12886
179: ok 12887
179: ok 12888
179: ok 12889
179: ok 12890
179: ok 12891
179: ok 12892
179: ok 12893
179: ok 12894
179: ok 12895
179: ok 12896
179: ok 12897
179: ok 12898
179: ok 12899
179: ok 12900
179: ok 12901
179: ok 12902
179: ok 12903
179: ok 12904
179: ok 12905
179: ok 12906
179: ok 12907
179: ok 12908
179: ok 12909
179: ok 12910
179: ok 12911
179: ok 12912
179: ok 12913
179: ok 12914
179: ok 12915
179: ok 12916
179: ok 12917
179: ok 12918
179: ok 12919
179: ok 12920
179: ok 12921
179: ok 12922
179: ok 12923
179: ok 12924
179: ok 12925
179: ok 12926
179: ok 12927
179: ok 12928
179: ok 12929
179: ok 12930
179: ok 12931
179: ok 12932
179: ok 12933
179: ok 12934
179: ok 12935
179: ok 12936
179: ok 12937
179: ok 12938
179: ok 12939
179: ok 12940
179: ok 12941
179: ok 12942
179: ok 12943
179: ok 12944
179: ok 12945
179: ok 12946
179: ok 12947
179: ok 12948
179: ok 12949
179: ok 12950
179: ok 12951
179: ok 12952
179: ok 12953
179: ok 12954
179: ok 12955
179: ok 12956
179: ok 12957
179: ok 12958
179: ok 12959
179: ok 12960
179: ok 12961
179: ok 12962
179: ok 12963
179: ok 12964
179: ok 12965
179: ok 12966
179: ok 12967
179: ok 12968
179: ok 12969
179: ok 12970
179: ok 12971
179: ok 12972
179: ok 12973
179: ok 12974
179: ok 12975
179: ok 12976
179: ok 12977
179: ok 12978
179: ok 12979
179: ok 12980
179: ok 12981
179: ok 12982
179: ok 12983
179: ok 12984
179: ok 12985
179: ok 12986
179: ok 12987
179: ok 12988
179: ok 12989
179: ok 12990
179: ok 12991
179: ok 12992
179: ok 12993
179: ok 12994
179: ok 12995
179: ok 12996
179: ok 12997
179: ok 12998
179: ok 12999
179: ok 13000
179: ok 13001
179: ok 13002
179: ok 13003
179: ok 13004
179: ok 13005
179: ok 13006
179: ok 13007
179: ok 13008
179: ok 13009
179: ok 13010
179: ok 13011
179: ok 13012
179: ok 13013
179: ok 13014
179: ok 13015
179: ok 13016
179: ok 13017
179: ok 13018
179: ok 13019
179: ok 13020
179: ok 13021
179: ok 13022
179: ok 13023
179: ok 13024
179: ok 13025
179: ok 13026
179: ok 13027
179: ok 13028
179: ok 13029
179: ok 13030
179: ok 13031
179: ok 13032
179: ok 13033
179: ok 13034
179: ok 13035
179: ok 13036
179: ok 13037
179: ok 13038
179: ok 13039
179: ok 13040
179: ok 13041
179: ok 13042
179: ok 13043
179: ok 13044
179: ok 13045
179: ok 13046
179: ok 13047
179: ok 13048
179: ok 13049
179: ok 13050
179: ok 13051
179: ok 13052
179: ok 13053
179: ok 13054
179: ok 13055
179: ok 13056
179: ok 13057
179: ok 13058
179: ok 13059
179: ok 13060
179: ok 13061
179: ok 13062
179: ok 13063
179: ok 13064
179: ok 13065
179: ok 13066
179: ok 13067
179: ok 13068
179: ok 13069
179: ok 13070
179: ok 13071
179: ok 13072
179: ok 13073
179: ok 13074
179: ok 13075
179: ok 13076
179: ok 13077
179: ok 13078
179: ok 13079
179: ok 13080
179: ok 13081
179: ok 13082
179: ok 13083
179: ok 13084
179: ok 13085
179: ok 13086
179: ok 13087
179: ok 13088
179: ok 13089
179: ok 13090
179: ok 13091
179: ok 13092
179: ok 13093
179: ok 13094
179: ok 13095
179: ok 13096
179: ok 13097
179: ok 13098
179: ok 13099
179: ok 13100
179: ok 13101
179: ok 13102
179: ok 13103
179: ok 13104
179: ok 13105
179: ok 13106
179: ok 13107
179: ok 13108
179: ok 13109
179: ok 13110
179: ok 13111
179: ok 13112
179: ok 13113
179: ok 13114
179: ok 13115
179: ok 13116
179: ok 13117
179: ok 13118
179: ok 13119
179: ok 13120
179: ok 13121
179: ok 13122
179: ok 13123
179: ok 13124
179: ok 13125
179: ok 13126
179: ok 13127
179: ok 13128
179: ok 13129
179: ok 13130
179: ok 13131
179: ok 13132
179: ok 13133
179: ok 13134
179: ok 13135
179: ok 13136
179: ok 13137
179: ok 13138
179: ok 13139
179: ok 13140
179: ok 13141
179: ok 13142
179: ok 13143
179: ok 13144
179: ok 13145
179: ok 13146
179: ok 13147
179: ok 13148
179: ok 13149
179: ok 13150
179: ok 13151
179: ok 13152
179: ok 13153
179: ok 13154
179: ok 13155
179: ok 13156
179: ok 13157
179: ok 13158
179: ok 13159
179: ok 13160
179: ok 13161
179: ok 13162
179: ok 13163
179: ok 13164
179: ok 13165
179: ok 13166
179: ok 13167
179: ok 13168
179: ok 13169
179: ok 13170
179: ok 13171
179: ok 13172
179: ok 13173
179: ok 13174
179: ok 13175
179: ok 13176
179: ok 13177
179: ok 13178
179: ok 13179
179: ok 13180
179: ok 13181
179: ok 13182
179: ok 13183
179: ok 13184
179: ok 13185
179: ok 13186
179: ok 13187
179: ok 13188
179: ok 13189
179: ok 13190
179: ok 13191
179: ok 13192
179: ok 13193
179: ok 13194
179: ok 13195
179: ok 13196
179: ok 13197
179: ok 13198
179: ok 13199
179: ok 13200
179: ok 13201
179: ok 13202
179: ok 13203
179: ok 13204
179: ok 13205
179: ok 13206
179: ok 13207
179: ok 13208
179: ok 13209
179: ok 13210
179: ok 13211
179: ok 13212
179: ok 13213
179: ok 13214
179: ok 13215
179: ok 13216
179: ok 13217
179: ok 13218
179: ok 13219
179: ok 13220
179: ok 13221
179: ok 13222
179: ok 13223
179: ok 13224
179: ok 13225
179: ok 13226
179: ok 13227
179: ok 13228
179: ok 13229
179: ok 13230
179: ok 13231
179: ok 13232
179: ok 13233
179: ok 13234
179: ok 13235
179: ok 13236
179: ok 13237
179: ok 13238
179: ok 13239
179: ok 13240
179: ok 13241
179: ok 13242
179: ok 13243
179: ok 13244
179: ok 13245
179: ok 13246
179: ok 13247
179: ok 13248
179: ok 13249
179: ok 13250
179: ok 13251
179: ok 13252
179: ok 13253
179: ok 13254
179: ok 13255
179: ok 13256
179: ok 13257
179: ok 13258
179: ok 13259
179: ok 13260
179: ok 13261
179: ok 13262
179: ok 13263
179: ok 13264
179: ok 13265
179: ok 13266
179: ok 13267
179: ok 13268
179: ok 13269
179: ok 13270
179: ok 13271
179: ok 13272
179: ok 13273
179: ok 13274
179: ok 13275
179: ok 13276
179: ok 13277
179: ok 13278
179: ok 13279
179: ok 13280
179: ok 13281
179: ok 13282
179: ok 13283
179: ok 13284
179: ok 13285
179: ok 13286
179: ok 13287
179: ok 13288
179: ok 13289
179: ok 13290
179: ok 13291
179: ok 13292
179: ok 13293
179: ok 13294
179: ok 13295
179: ok 13296
179: ok 13297
179: ok 13298
179: ok 13299
179: ok 13300
179: ok 13301
179: ok 13302
179: ok 13303
179: ok 13304
179: ok 13305
179: ok 13306
179: ok 13307
179: ok 13308
179: ok 13309
179: ok 13310
179: ok 13311
179: ok 13312
179: ok 13313
179: ok 13314
179: ok 13315
179: ok 13316
179: ok 13317
179: ok 13318
179: ok 13319
179: ok 13320
179: ok 13321
179: ok 13322
179: ok 13323
179: ok 13324
179: ok 13325
179: ok 13326
179: ok 13327
179: ok 13328
179: ok 13329
179: ok 13330
179: ok 13331
179: ok 13332
179: ok 13333
179: ok 13334
179: ok 13335
179: ok 13336
179: ok 13337
179: ok 13338
179: ok 13339
179: ok 13340
179: ok 13341
179: ok 13342
179: ok 13343
179: ok 13344
179: ok 13345
179: ok 13346
179: ok 13347
179: ok 13348
179: ok 13349
179: ok 13350
179: ok 13351
179: ok 13352
179: ok 13353
179: ok 13354
179: ok 13355
179: ok 13356
179: ok 13357
179: ok 13358
179: ok 13359
179: ok 13360
179: ok 13361
179: ok 13362
179: ok 13363
179: ok 13364
179: ok 13365
179: ok 13366
179: ok 13367
179: ok 13368
179: ok 13369
179: ok 13370
179: ok 13371
179: ok 13372
179: ok 13373
179: ok 13374
179: ok 13375
179: ok 13376
179: ok 13377
179: ok 13378
179: ok 13379
179: ok 13380
179: ok 13381
179: ok 13382
179: ok 13383
179: ok 13384
179: ok 13385
179: ok 13386
179: ok 13387
179: ok 13388
179: ok 13389
179: ok 13390
179: ok 13391
179: ok 13392
179: ok 13393
179: ok 13394
179: ok 13395
179: ok 13396
179: ok 13397
179: ok 13398
179: ok 13399
179: ok 13400
179: ok 13401
179: ok 13402
179: ok 13403
179: ok 13404
179: ok 13405
179: ok 13406
179: ok 13407
179: ok 13408
179: ok 13409
179: ok 13410
179: ok 13411
179: ok 13412
179: ok 13413
179: ok 13414
179: ok 13415
179: ok 13416
179: ok 13417
179: ok 13418
179: ok 13419
179: ok 13420
179: ok 13421
179: ok 13422
179: ok 13423
179: ok 13424
179: ok 13425
179: ok 13426
179: ok 13427
179: ok 13428
179: ok 13429
179: ok 13430
179: ok 13431
179: ok 13432
179: ok 13433
179: ok 13434
179: ok 13435
179: ok 13436
179: ok 13437
179: ok 13438
179: ok 13439
179: ok 13440
179: ok 13441
179: ok 13442
179: ok 13443
179: ok 13444
179: ok 13445
179: ok 13446
179: ok 13447
179: ok 13448
179: ok 13449
179: ok 13450
179: ok 13451
179: ok 13452
179: ok 13453
179: ok 13454
179: ok 13455
179: ok 13456
179: ok 13457
179: ok 13458
179: ok 13459
179: ok 13460
179: ok 13461
179: ok 13462
179: ok 13463
179: ok 13464
179: ok 13465
179: ok 13466
179: ok 13467
179: ok 13468
179: ok 13469
179: ok 13470
179: ok 13471
179: ok 13472
179: ok 13473
179: ok 13474
179: ok 13475
179: ok 13476
179: ok 13477
179: ok 13478
179: ok 13479
179: ok 13480
179: ok 13481
179: ok 13482
179: ok 13483
179: ok 13484
179: ok 13485
179: ok 13486
179: ok 13487
179: ok 13488
179: ok 13489
179: ok 13490
179: ok 13491
179: ok 13492
179: ok 13493
179: ok 13494
179: ok 13495
179: ok 13496
179: ok 13497
179: ok 13498
179: ok 13499
179: ok 13500
179: ok 13501
179: ok 13502
179: ok 13503
179: ok 13504
179: ok 13505
179: ok 13506
179: ok 13507
179: ok 13508
179: ok 13509
179: ok 13510
179: ok 13511
179: ok 13512
179: ok 13513
179: ok 13514
179: ok 13515
179: ok 13516
179: ok 13517
179: ok 13518
179: ok 13519
179: ok 13520
179: ok 13521
179: ok 13522
179: ok 13523
179: ok 13524
179: ok 13525
179: ok 13526
179: ok 13527
179: ok 13528
179: ok 13529
179: ok 13530
179: ok 13531
179: ok 13532
179: ok 13533
179: ok 13534
179: ok 13535
179: ok 13536
179: ok 13537
179: ok 13538
179: ok 13539
179: ok 13540
179: ok 13541
179: ok 13542
179: ok 13543
179: ok 13544
179: ok 13545
179: ok 13546
179: ok 13547
179: ok 13548
179: ok 13549
179: ok 13550
179: ok 13551
179: ok 13552
179: ok 13553
179: ok 13554
179: ok 13555
179: ok 13556
179: ok 13557
179: ok 13558
179: ok 13559
179: ok 13560
179: ok 13561
179: ok 13562
179: ok 13563
179: ok 13564
179: ok 13565
179: ok 13566
179: ok 13567
179: ok 13568
179: ok 13569
179: ok 13570
179: ok 13571
179: ok 13572
179: ok 13573
179: ok 13574
179: ok 13575
179: ok 13576
179: ok 13577
179: ok 13578
179: ok 13579
179: ok 13580
179: ok 13581
179: ok 13582
179: ok 13583
179: ok 13584
179: ok 13585
179: ok 13586
179: ok 13587
179: ok 13588
179: ok 13589
179: ok 13590
179: ok 13591
179: ok 13592
179: ok 13593
179: ok 13594
179: ok 13595
179: ok 13596
179: ok 13597
179: ok 13598
179: ok 13599
179: ok 13600
179: ok 13601
179: ok 13602
179: ok 13603
179: ok 13604
179: ok 13605
179: ok 13606
179: ok 13607
179: ok 13608
179: ok 13609
179: ok 13610
179: ok 13611
179: ok 13612
179: ok 13613
179: ok 13614
179: ok 13615
179: ok 13616
179: ok 13617
179: ok 13618
179: ok 13619
179: ok 13620
179: ok 13621
179: ok 13622
179: ok 13623
179: ok 13624
179: ok 13625
179: ok 13626
179: ok 13627
179: ok 13628
179: ok 13629
179: ok 13630
179: ok 13631
179: ok 13632
179: ok 13633
179: ok 13634
179: ok 13635
179: ok 13636
179: ok 13637
179: ok 13638
179: ok 13639
179: ok 13640
179: ok 13641
179: ok 13642
179: ok 13643
179: ok 13644
179: ok 13645
179: ok 13646
179: ok 13647
179: ok 13648
179: ok 13649
179: ok 13650
179: ok 13651
179: ok 13652
179: ok 13653
179: ok 13654
179: ok 13655
179: ok 13656
179: ok 13657
179: ok 13658
179: ok 13659
179: ok 13660
179: ok 13661
179: ok 13662
179: ok 13663
179: ok 13664
179: ok 13665
179: ok 13666
179: ok 13667
179: ok 13668
179: ok 13669
179: ok 13670
179: ok 13671
179: ok 13672
179: ok 13673
179: ok 13674
179: ok 13675
179: ok 13676
179: ok 13677
179: ok 13678
179: ok 13679
179: ok 13680
179: ok 13681
179: ok 13682
179: ok 13683
179: ok 13684
179: ok 13685
179: ok 13686
179: ok 13687
179: ok 13688
179: ok 13689
179: ok 13690
179: ok 13691
179: ok 13692
179: ok 13693
179: ok 13694
179: ok 13695
179: ok 13696
179: ok 13697
179: ok 13698
179: ok 13699
179: ok 13700
179: ok 13701
179: ok 13702
179: ok 13703
179: ok 13704
179: ok 13705
179: ok 13706
179: ok 13707
179: ok 13708
179: ok 13709
179: ok 13710
179: ok 13711
179: ok 13712
179: ok 13713
179: ok 13714
179: ok 13715
179: ok 13716
179: ok 13717
179: ok 13718
179: ok 13719
179: ok 13720
179: ok 13721
179: ok 13722
179: ok 13723
179: ok 13724
179: ok 13725
179: ok 13726
179: ok 13727
179: ok 13728
179: ok 13729
179: ok 13730
179: ok 13731
179: ok 13732
179: ok 13733
179: ok 13734
179: ok 13735
179: ok 13736
179: ok 13737
179: ok 13738
179: ok 13739
179: ok 13740
179: ok 13741
179: ok 13742
179: ok 13743
179: ok 13744
179: ok 13745
179: ok 13746
179: ok 13747
179: ok 13748
179: ok 13749
179: ok 13750
179: ok 13751
179: ok 13752
179: ok 13753
179: ok 13754
179: ok 13755
179: ok 13756
179: ok 13757
179: ok 13758
179: ok 13759
179: ok 13760
179: ok 13761
179: ok 13762
179: ok 13763
179: ok 13764
179: ok 13765
179: ok 13766
179: ok 13767
179: ok 13768
179: ok 13769
179: ok 13770
179: ok 13771
179: ok 13772
179: ok 13773
179: ok 13774
179: ok 13775
179: ok 13776
179: ok 13777
179: ok 13778
179: ok 13779
179: ok 13780
179: ok 13781
179: ok 13782
179: ok 13783
179: ok 13784
179: ok 13785
179: ok 13786
179: ok 13787
179: ok 13788
179: ok 13789
179: ok 13790
179: ok 13791
179: ok 13792
179: ok 13793
179: ok 13794
179: ok 13795
179: ok 13796
179: ok 13797
179: ok 13798
179: ok 13799
179: ok 13800
179: ok 13801
179: ok 13802
179: ok 13803
179: ok 13804
179: ok 13805
179: ok 13806
179: ok 13807
179: ok 13808
179: ok 13809
179: ok 13810
179: ok 13811
179: ok 13812
179: ok 13813
179: ok 13814
179: ok 13815
179: ok 13816
179: ok 13817
179: ok 13818
179: ok 13819
179: ok 13820
179: ok 13821
179: ok 13822
179: ok 13823
179: ok 13824
179: ok 13825
179: ok 13826
179: ok 13827
179: ok 13828
179: ok 13829
179: ok 13830
179: ok 13831
179: ok 13832
179: ok 13833
179: ok 13834
179: ok 13835
179: ok 13836
179: ok 13837
179: ok 13838
179: ok 13839
179: ok 13840
179: ok 13841
179: ok 13842
179: ok 13843
179: ok 13844
179: ok 13845
179: ok 13846
179: ok 13847
179: ok 13848
179: ok 13849
179: ok 13850
179: ok 13851
179: ok 13852
179: ok 13853
179: ok 13854
179: ok 13855
179: ok 13856
179: ok 13857
179: ok 13858
179: ok 13859
179: ok 13860
179: ok 13861
179: ok 13862
179: ok 13863
179: ok 13864
179: ok 13865
179: ok 13866
179: ok 13867
179: ok 13868
179: ok 13869
179: ok 13870
179: ok 13871
179: ok 13872
179: ok 13873
179: ok 13874
179: ok 13875
179: ok 13876
179: ok 13877
179: ok 13878
179: ok 13879
179: ok 13880
179: ok 13881
179: ok 13882
179: ok 13883
179: ok 13884
179: ok 13885
179: ok 13886
179: ok 13887
179: ok 13888
179: ok 13889
179: ok 13890
179: ok 13891
179: ok 13892
179: ok 13893
179: ok 13894
179: ok 13895
179: ok 13896
179: ok 13897
179: ok 13898
179: ok 13899
179: ok 13900
179: ok 13901
179: ok 13902
179: ok 13903
179: ok 13904
179: ok 13905
179: ok 13906
179: ok 13907
179: ok 13908
179: ok 13909
179: ok 13910
179: ok 13911
179: ok 13912
179: ok 13913
179: ok 13914
179: ok 13915
179: ok 13916
179: ok 13917
179: ok 13918
179: ok 13919
179: ok 13920
179: ok 13921
179: ok 13922
179: ok 13923
179: ok 13924
179: ok 13925
179: ok 13926
179: ok 13927
179: ok 13928
179: ok 13929
179: ok 13930
179: ok 13931
179: ok 13932
179: ok 13933
179: ok 13934
179: ok 13935
179: ok 13936
179: ok 13937
179: ok 13938
179: ok 13939
179: ok 13940
179: ok 13941
179: ok 13942
179: ok 13943
179: ok 13944
179: ok 13945
179: ok 13946
179: ok 13947
179: ok 13948
179: ok 13949
179: ok 13950
179: ok 13951
179: ok 13952
179: ok 13953
179: ok 13954
179: ok 13955
179: ok 13956
179: ok 13957
179: ok 13958
179: ok 13959
179: ok 13960
179: ok 13961
179: ok 13962
179: ok 13963
179: ok 13964
179: ok 13965
179: ok 13966
179: ok 13967
179: ok 13968
179: ok 13969
179: ok 13970
179: ok 13971
179: ok 13972
179: ok 13973
179: ok 13974
179: ok 13975
179: ok 13976
179: ok 13977
179: ok 13978
179: ok 13979
179: ok 13980
179: ok 13981
179: ok 13982
179: ok 13983
179: ok 13984
179: ok 13985
179: ok 13986
179: ok 13987
179: ok 13988
179: ok 13989
179: ok 13990
179: ok 13991
179: ok 13992
179: ok 13993
179: ok 13994
179: ok 13995
179: ok 13996
179: ok 13997
179: ok 13998
179: ok 13999
179: ok 14000
179: ok 14001
179: ok 14002
179: ok 14003
179: ok 14004
179: ok 14005
179: ok 14006
179: ok 14007
179: ok 14008
179: ok 14009
179: ok 14010
179: ok 14011
179: ok 14012
179: ok 14013
179: ok 14014
179: ok 14015
179: ok 14016
179: ok 14017
179: ok 14018
179: ok 14019
179: ok 14020
179: ok 14021
179: ok 14022
179: ok 14023
179: ok 14024
179: ok 14025
179: ok 14026
179: ok 14027
179: ok 14028
179: ok 14029
179: ok 14030
179: ok 14031
179: ok 14032
179: ok 14033
179: ok 14034
179: ok 14035
179: ok 14036
179: ok 14037
179: ok 14038
179: ok 14039
179: ok 14040
179: ok 14041
179: ok 14042
179: ok 14043
179: ok 14044
179: ok 14045
179: ok 14046
179: ok 14047
179: ok 14048
179: ok 14049
179: ok 14050
179: ok 14051
179: ok 14052
179: ok 14053
179: ok 14054
179: ok 14055
179: ok 14056
179: ok 14057
179: ok 14058
179: ok 14059
179: ok 14060
179: ok 14061
179: ok 14062
179: ok 14063
179: ok 14064
179: ok 14065
179: ok 14066
179: ok 14067
179: ok 14068
179: ok 14069
179: ok 14070
179: ok 14071
179: ok 14072
179: ok 14073
179: ok 14074
179: ok 14075
179: ok 14076
179: ok 14077
179: ok 14078
179: ok 14079
179: ok 14080
179: ok 14081
179: ok 14082
179: ok 14083
179: ok 14084
179: ok 14085
179: ok 14086
179: ok 14087
179: ok 14088
179: ok 14089
179: ok 14090
179: ok 14091
179: ok 14092
179: ok 14093
179: ok 14094
179: ok 14095
179: ok 14096
179: ok 14097
179: ok 14098
179: ok 14099
179: ok 14100
179: ok 14101
179: ok 14102
179: ok 14103
179: ok 14104
179: ok 14105
179: ok 14106
179: ok 14107
179: ok 14108
179: ok 14109
179: ok 14110
179: ok 14111
179: ok 14112
179: ok 14113
179: ok 14114
179: ok 14115
179: ok 14116
179: ok 14117
179: ok 14118
179: ok 14119
179: ok 14120
179: ok 14121
179: ok 14122
179: ok 14123
179: ok 14124
179: ok 14125
179: ok 14126
179: ok 14127
179: ok 14128
179: ok 14129
179: ok 14130
179: ok 14131
179: ok 14132
179: ok 14133
179: ok 14134
179: ok 14135
179: ok 14136
179: ok 14137
179: ok 14138
179: ok 14139
179: ok 14140
179: ok 14141
179: ok 14142
179: ok 14143
179: ok 14144
179: ok 14145
179: ok 14146
179: ok 14147
179: ok 14148
179: ok 14149
179: ok 14150
179: ok 14151
179: ok 14152
179: ok 14153
179: ok 14154
179: ok 14155
179: ok 14156
179: ok 14157
179: ok 14158
179: ok 14159
179: ok 14160
179: ok 14161
179: ok 14162
179: ok 14163
179: ok 14164
179: ok 14165
179: ok 14166
179: ok 14167
179: ok 14168
179: ok 14169
179: ok 14170
179: ok 14171
179: ok 14172
179: ok 14173
179: ok 14174
179: ok 14175
179: ok 14176
179: ok 14177
179: ok 14178
179: ok 14179
179: ok 14180
179: ok 14181
179: ok 14182
179: ok 14183
179: ok 14184
179: ok 14185
179: ok 14186
179: ok 14187
179: ok 14188
179: ok 14189
179: ok 14190
179: ok 14191
179: ok 14192
179: ok 14193
179: ok 14194
179: ok 14195
179: ok 14196
179: ok 14197
179: ok 14198
179: ok 14199
179: ok 14200
179: ok 14201
179: ok 14202
179: ok 14203
179: ok 14204
179: ok 14205
179: ok 14206
179: ok 14207
179: ok 14208
179: ok 14209
179: ok 14210
179: ok 14211
179: ok 14212
179: ok 14213
179: ok 14214
179: ok 14215
179: ok 14216
179: ok 14217
179: ok 14218
179: ok 14219
179: ok 14220
179: ok 14221
179: ok 14222
179: ok 14223
179: ok 14224
179: ok 14225
179: ok 14226
179: ok 14227
179: ok 14228
179: ok 14229
179: ok 14230
179: ok 14231
179: ok 14232
179: ok 14233
179: ok 14234
179: ok 14235
179: ok 14236
179: ok 14237
179: ok 14238
179: ok 14239
179: ok 14240
179: ok 14241
179: ok 14242
179: ok 14243
179: ok 14244
179: ok 14245
179: ok 14246
179: ok 14247
179: ok 14248
179: ok 14249
179: ok 14250
179: ok 14251
179: ok 14252
179: ok 14253
179: ok 14254
179: ok 14255
179: ok 14256
179: ok 14257
179: ok 14258
179: ok 14259
179: ok 14260
179: ok 14261
179: ok 14262
179: ok 14263
179: ok 14264
179: ok 14265
179: ok 14266
179: ok 14267
179: ok 14268
179: ok 14269
179: ok 14270
179: ok 14271
179: ok 14272
179: ok 14273
179: ok 14274
179: ok 14275
179: ok 14276
179: ok 14277
179: ok 14278
179: ok 14279
179: ok 14280
179: ok 14281
179: ok 14282
179: ok 14283
179: ok 14284
179: ok 14285
179: ok 14286
179: ok 14287
179: ok 14288
179: ok 14289
179: ok 14290
179: ok 14291
179: ok 14292
179: ok 14293
179: ok 14294
179: ok 14295
179: ok 14296
179: ok 14297
179: ok 14298
179: ok 14299
179: ok 14300
179: ok 14301
179: ok 14302
179: ok 14303
179: ok 14304
179: ok 14305
179: ok 14306
179: ok 14307
179: ok 14308
179: ok 14309
179: ok 14310
179: ok 14311
179: ok 14312
179: ok 14313
179: ok 14314
179: ok 14315
179: ok 14316
179: ok 14317
179: ok 14318
179: ok 14319
179: ok 14320
179: ok 14321
179: ok 14322
179: ok 14323
179: ok 14324
179: ok 14325
179: ok 14326
179: ok 14327
179: ok 14328
179: ok 14329
179: ok 14330
179: ok 14331
179: ok 14332
179: ok 14333
179: ok 14334
179: ok 14335
179: ok 14336
179: ok 14337
179: ok 14338
179: ok 14339
179: ok 14340
179: ok 14341
179: ok 14342
179: ok 14343
179: ok 14344
179: ok 14345
179: ok 14346
179: ok 14347
179: ok 14348
179: ok 14349
179: ok 14350
179: ok 14351
179: ok 14352
179: ok 14353
179: ok 14354
179: ok 14355
179: ok 14356
179: ok 14357
179: ok 14358
179: ok 14359
179: ok 14360
179: ok 14361
179: ok 14362
179: ok 14363
179: ok 14364
179: ok 14365
179: ok 14366
179: ok 14367
179: ok 14368
179: ok 14369
179: ok 14370
179: ok 14371
179: ok 14372
179: ok 14373
179: ok 14374
179: ok 14375
179: ok 14376
179: ok 14377
179: ok 14378
179: ok 14379
179: ok 14380
179: ok 14381
179: ok 14382
179: ok 14383
179: ok 14384
179: ok 14385
179: ok 14386
179: ok 14387
179: ok 14388
179: ok 14389
179: ok 14390
179: ok 14391
179: ok 14392
179: ok 14393
179: ok 14394
179: ok 14395
179: ok 14396
179: ok 14397
179: ok 14398
179: ok 14399
179: ok 14400
179: ok 14401
179: ok 14402
179: ok 14403
179: ok 14404
179: ok 14405
179: ok 14406
179: ok 14407
179: ok 14408
179: ok 14409
179: ok 14410
179: ok 14411
179: ok 14412
179: ok 14413
179: ok 14414
179: ok 14415
179: ok 14416
179: ok 14417
179: ok 14418
179: ok 14419
179: ok 14420
179: ok 14421
179: ok 14422
179: ok 14423
179: ok 14424
179: ok 14425
179: ok 14426
179: ok 14427
179: ok 14428
179: ok 14429
179: ok 14430
179: ok 14431
179: ok 14432
179: ok 14433
179: ok 14434
179: ok 14435
179: ok 14436
179: ok 14437
179: ok 14438
179: ok 14439
179: ok 14440
179: ok 14441
179: ok 14442
179: ok 14443
179: ok 14444
179: ok 14445
179: ok 14446
179: ok 14447
179: ok 14448
179: ok 14449
179: ok 14450
179: ok 14451
179: ok 14452
179: ok 14453
179: ok 14454
179: ok 14455
179: ok 14456
179: ok 14457
179: ok 14458
179: ok 14459
179: ok 14460
179: ok 14461
179: ok 14462
179: ok 14463
179: ok 14464
179: ok 14465
179: ok 14466
179: ok 14467
179: ok 14468
179: ok 14469
179: ok 14470
179: ok 14471
179: ok 14472
179: ok 14473
179: ok 14474
179: ok 14475
179: ok 14476
179: ok 14477
179: ok 14478
179: ok 14479
179: ok 14480
179: ok 14481
179: ok 14482
179: ok 14483
179: ok 14484
179: ok 14485
179: ok 14486
179: ok 14487
179: ok 14488
179: ok 14489
179: ok 14490
179: ok 14491
179: ok 14492
179: ok 14493
179: ok 14494
179: ok 14495
179: ok 14496
179: ok 14497
179: ok 14498
179: ok 14499
179: ok 14500
179: ok 14501
179: ok 14502
179: ok 14503
179: ok 14504
179: ok 14505
179: ok 14506
179: ok 14507
179: ok 14508
179: ok 14509
179: ok 14510
179: ok 14511
179: ok 14512
179: ok 14513
179: ok 14514
179: ok 14515
179: ok 14516
179: ok 14517
179: ok 14518
179: ok 14519
179: ok 14520
179: ok 14521
179: ok 14522
179: ok 14523
179: ok 14524
179: ok 14525
179: ok 14526
179: ok 14527
179: ok 14528
179: ok 14529
179: ok 14530
179: ok 14531
179: ok 14532
179: ok 14533
179: ok 14534
179: ok 14535
179: ok 14536
179: ok 14537
179: ok 14538
179: ok 14539
179: ok 14540
179: ok 14541
179: ok 14542
179: ok 14543
179: ok 14544
179: ok 14545
179: ok 14546
179: ok 14547
179: ok 14548
179: ok 14549
179: ok 14550
179: ok 14551
179: ok 14552
179: ok 14553
179: ok 14554
179: ok 14555
179: ok 14556
179: ok 14557
179: ok 14558
179: ok 14559
179: ok 14560
179: ok 14561
179: ok 14562
179: ok 14563
179: ok 14564
179: ok 14565
179: ok 14566
179: ok 14567
179: ok 14568
179: ok 14569
179: ok 14570
179: ok 14571
179: ok 14572
179: ok 14573
179: ok 14574
179: ok 14575
179: ok 14576
179: ok 14577
179: ok 14578
179: ok 14579
179: ok 14580
179: ok 14581
179: ok 14582
179: ok 14583
179: ok 14584
179: ok 14585
179: ok 14586
179: ok 14587
179: ok 14588
179: ok 14589
179: ok 14590
179: ok 14591
179: ok 14592
179: ok 14593
179: ok 14594
179: ok 14595
179: ok 14596
179: ok 14597
179: ok 14598
179: ok 14599
179: ok 14600
179: ok 14601
179: ok 14602
179: ok 14603
179: ok 14604
179: ok 14605
179: ok 14606
179: ok 14607
179: ok 14608
179: ok 14609
179: ok 14610
179: ok 14611
179: ok 14612
179: ok 14613
179: ok 14614
179: ok 14615
179: ok 14616
179: ok 14617
179: ok 14618
179: ok 14619
179: ok 14620
179: ok 14621
179: ok 14622
179: ok 14623
179: ok 14624
179: ok 14625
179: ok 14626
179: ok 14627
179: ok 14628
179: ok 14629
179: ok 14630
179: ok 14631
179: ok 14632
179: ok 14633
179: ok 14634
179: ok 14635
179: ok 14636
179: ok 14637
179: ok 14638
179: ok 14639
179: ok 14640
179: ok 14641
179: ok 14642
179: ok 14643
179: ok 14644
179: ok 14645
179: ok 14646
179: ok 14647
179: ok 14648
179: ok 14649
179: ok 14650
179: ok 14651
179: ok 14652
179: ok 14653
179: ok 14654
179: ok 14655
179: ok 14656
179: ok 14657
179: ok 14658
179: ok 14659
179: ok 14660
179: ok 14661
179: ok 14662
179: ok 14663
179: ok 14664
179: ok 14665
179: ok 14666
179: ok 14667
179: ok 14668
179: ok 14669
179: ok 14670
179: ok 14671
179: ok 14672
179: ok 14673
179: ok 14674
179: ok 14675
179: ok 14676
179: ok 14677
179: ok 14678
179: ok 14679
179: ok 14680
179: ok 14681
179: ok 14682
179: ok 14683
179: ok 14684
179: ok 14685
179: ok 14686
179: ok 14687
179: ok 14688
179: ok 14689
179: ok 14690
179: ok 14691
179: ok 14692
179: ok 14693
179: ok 14694
179: ok 14695
179: ok 14696
179: ok 14697
179: ok 14698
179: ok 14699
179: ok 14700
179: ok 14701
179: ok 14702
179: ok 14703
179: ok 14704
179: ok 14705
179: ok 14706
179: ok 14707
179: ok 14708
179: ok 14709
179: ok 14710
179: ok 14711
179: ok 14712
179: ok 14713
179: ok 14714
179: ok 14715
179: ok 14716
179: ok 14717
179: ok 14718
179: ok 14719
179: ok 14720
179: ok 14721
179: ok 14722
179: ok 14723
179: ok 14724
179: ok 14725
179: ok 14726
179: ok 14727
179: ok 14728
179: ok 14729
179: ok 14730
179: ok 14731
179: ok 14732
179: ok 14733
179: ok 14734
179: ok 14735
179: ok 14736
179: ok 14737
179: ok 14738
179: ok 14739
179: ok 14740
179: ok 14741
179: ok 14742
179: ok 14743
179: ok 14744
179: ok 14745
179: ok 14746
179: ok 14747
179: ok 14748
179: ok 14749
179: ok 14750
179: ok 14751
179: ok 14752
179: ok 14753
179: ok 14754
179: ok 14755
179: ok 14756
179: ok 14757
179: ok 14758
179: ok 14759
179: ok 14760
179: ok 14761
179: ok 14762
179: ok 14763
179: ok 14764
179: ok 14765
179: ok 14766
179: ok 14767
179: ok 14768
179: ok 14769
179: ok 14770
179: ok 14771
179: ok 14772
179: ok 14773
179: ok 14774
179: ok 14775
179: ok 14776
179: ok 14777
179: ok 14778
179: ok 14779
179: ok 14780
179: ok 14781
179: ok 14782
179: ok 14783
179: ok 14784
179: ok 14785
179: ok 14786
179: ok 14787
179: ok 14788
179: ok 14789
179: ok 14790
179: ok 14791
179: ok 14792
179: ok 14793
179: ok 14794
179: ok 14795
179: ok 14796
179: ok 14797
179: ok 14798
179: ok 14799
179: ok 14800
179: ok 14801
179: ok 14802
179: ok 14803
179: ok 14804
179: ok 14805
179: ok 14806
179: ok 14807
179: ok 14808
179: ok 14809
179: ok 14810
179: ok 14811
179: ok 14812
179: ok 14813
179: ok 14814
179: ok 14815
179: ok 14816
179: ok 14817
179: ok 14818
179: ok 14819
179: ok 14820
179: ok 14821
179: ok 14822
179: ok 14823
179: ok 14824
179: ok 14825
179: ok 14826
179: ok 14827
179: ok 14828
179: ok 14829
179: ok 14830
179: ok 14831
179: ok 14832
179: ok 14833
179: ok 14834
179: ok 14835
179: ok 14836
179: ok 14837
179: ok 14838
179: ok 14839
179: ok 14840
179: ok 14841
179: ok 14842
179: ok 14843
179: ok 14844
179: ok 14845
179: ok 14846
179: ok 14847
179: ok 14848
179: ok 14849
179: ok 14850
179: ok 14851
179: ok 14852
179: ok 14853
179: ok 14854
179: ok 14855
179: ok 14856
179: ok 14857
179: ok 14858
179: ok 14859
179: ok 14860
179: ok 14861
179: ok 14862
179: ok 14863
179: ok 14864
179: ok 14865
179: ok 14866
179: ok 14867
179: ok 14868
179: ok 14869
179: ok 14870
179: ok 14871
179: ok 14872
179: ok 14873
179: ok 14874
179: ok 14875
179: ok 14876
179: ok 14877
179: ok 14878
179: ok 14879
179: ok 14880
179: ok 14881
179: ok 14882
179: ok 14883
179: ok 14884
179: ok 14885
179: ok 14886
179: ok 14887
179: ok 14888
179: ok 14889
179: ok 14890
179: ok 14891
179: ok 14892
179: ok 14893
179: ok 14894
179: ok 14895
179: ok 14896
179: ok 14897
179: ok 14898
179: ok 14899
179: ok 14900
179: ok 14901
179: ok 14902
179: ok 14903
179: ok 14904
179: ok 14905
179: ok 14906
179: ok 14907
179: ok 14908
179: ok 14909
179: ok 14910
179: ok 14911
179: ok 14912
179: ok 14913
179: ok 14914
179: ok 14915
179: ok 14916
179: ok 14917
179: ok 14918
179: ok 14919
179: ok 14920
179: ok 14921
179: ok 14922
179: ok 14923
179: ok 14924
179: ok 14925
179: ok 14926
179: ok 14927
179: ok 14928
179: ok 14929
179: ok 14930
179: ok 14931
179: ok 14932
179: ok 14933
179: ok 14934
179: ok 14935
179: ok 14936
179: ok 14937
179: ok 14938
179: ok 14939
179: ok 14940
179: ok 14941
179: ok 14942
179: ok 14943
179: ok 14944
179: ok 14945
179: ok 14946
179: ok 14947
179: ok 14948
179: ok 14949
179: ok 14950
179: ok 14951
179: ok 14952
179: ok 14953
179: ok 14954
179: ok 14955
179: ok 14956
179: ok 14957
179: ok 14958
179: ok 14959
179: ok 14960
179: ok 14961
179: ok 14962
179: ok 14963
179: ok 14964
179: ok 14965
179: ok 14966
179: ok 14967
179: ok 14968
179: ok 14969
179: ok 14970
179: ok 14971
179: ok 14972
179: ok 14973
179: ok 14974
179: ok 14975
179: ok 14976
179: ok 14977
179: ok 14978
179: ok 14979
179: ok 14980
179: ok 14981
179: ok 14982
179: ok 14983
179: ok 14984
179: ok 14985
179: ok 14986
179: ok 14987
179: ok 14988
179: ok 14989
179: ok 14990
179: ok 14991
179: ok 14992
179: ok 14993
179: ok 14994
179: ok 14995
179: ok 14996
179: ok 14997
179: ok 14998
179: ok 14999
179: ok 15000
179: # math: passed testBasics_vector3
179: # math: entering testBasics_matrix3x3
179: ok 15001
179: ok 15002
179: ok 15003
179: ok 15004
179: ok 15005
179: ok 15006
179: ok 15007
179: ok 15008
179: ok 15009
179: ok 15010
179: ok 15011
179: ok 15012
179: ok 15013
179: ok 15014
179: ok 15015
179: ok 15016
179: ok 15017
179: ok 15018
179: ok 15019
179: ok 15020
179: ok 15021
179: ok 15022
179: ok 15023
179: ok 15024
179: ok 15025
179: ok 15026
179: ok 15027
179: ok 15028
179: ok 15029
179: ok 15030
179: ok 15031
179: ok 15032
179: ok 15033
179: ok 15034
179: ok 15035
179: ok 15036
179: ok 15037
179: ok 15038
179: ok 15039
179: ok 15040
179: ok 15041
179: ok 15042
179: ok 15043
179: ok 15044
179: ok 15045
179: ok 15046
179: ok 15047
179: ok 15048
179: ok 15049
179: ok 15050
179: ok 15051
179: ok 15052
179: ok 15053
179: ok 15054
179: ok 15055
179: ok 15056
179: ok 15057
179: ok 15058
179: ok 15059
179: ok 15060
179: ok 15061
179: ok 15062
179: ok 15063
179: ok 15064
179: ok 15065
179: ok 15066
179: ok 15067
179: ok 15068
179: ok 15069
179: ok 15070
179: ok 15071
179: ok 15072
179: ok 15073
179: ok 15074
179: ok 15075
179: ok 15076
179: ok 15077
179: ok 15078
179: ok 15079
179: ok 15080
179: ok 15081
179: ok 15082
179: ok 15083
179: ok 15084
179: ok 15085
179: ok 15086
179: ok 15087
179: ok 15088
179: ok 15089
179: ok 15090
179: ok 15091
179: ok 15092
179: ok 15093
179: ok 15094
179: ok 15095
179: ok 15096
179: ok 15097
179: ok 15098
179: ok 15099
179: ok 15100
179: ok 15101
179: ok 15102
179: ok 15103
179: ok 15104
179: ok 15105
179: ok 15106
179: ok 15107
179: ok 15108
179: ok 15109
179: ok 15110
179: ok 15111
179: ok 15112
179: ok 15113
179: ok 15114
179: ok 15115
179: ok 15116
179: ok 15117
179: ok 15118
179: ok 15119
179: ok 15120
179: ok 15121
179: ok 15122
179: ok 15123
179: ok 15124
179: ok 15125
179: ok 15126
179: ok 15127
179: ok 15128
179: ok 15129
179: ok 15130
179: ok 15131
179: ok 15132
179: ok 15133
179: ok 15134
179: ok 15135
179: ok 15136
179: ok 15137
179: ok 15138
179: ok 15139
179: ok 15140
179: ok 15141
179: ok 15142
179: ok 15143
179: ok 15144
179: ok 15145
179: ok 15146
179: ok 15147
179: ok 15148
179: ok 15149
179: ok 15150
179: ok 15151
179: ok 15152
179: ok 15153
179: ok 15154
179: ok 15155
179: ok 15156
179: ok 15157
179: ok 15158
179: ok 15159
179: ok 15160
179: ok 15161
179: ok 15162
179: ok 15163
179: ok 15164
179: ok 15165
179: ok 15166
179: ok 15167
179: ok 15168
179: ok 15169
179: ok 15170
179: ok 15171
179: ok 15172
179: ok 15173
179: ok 15174
179: ok 15175
179: ok 15176
179: ok 15177
179: ok 15178
179: ok 15179
179: ok 15180
179: ok 15181
179: ok 15182
179: ok 15183
179: ok 15184
179: ok 15185
179: ok 15186
179: ok 15187
179: ok 15188
179: ok 15189
179: ok 15190
179: ok 15191
179: ok 15192
179: ok 15193
179: ok 15194
179: ok 15195
179: ok 15196
179: ok 15197
179: ok 15198
179: ok 15199
179: ok 15200
179: ok 15201
179: ok 15202
179: ok 15203
179: ok 15204
179: ok 15205
179: ok 15206
179: ok 15207
179: ok 15208
179: ok 15209
179: ok 15210
179: ok 15211
179: ok 15212
179: ok 15213
179: ok 15214
179: ok 15215
179: ok 15216
179: ok 15217
179: ok 15218
179: ok 15219
179: ok 15220
179: ok 15221
179: ok 15222
179: ok 15223
179: ok 15224
179: ok 15225
179: ok 15226
179: ok 15227
179: ok 15228
179: ok 15229
179: ok 15230
179: ok 15231
179: ok 15232
179: ok 15233
179: ok 15234
179: ok 15235
179: ok 15236
179: ok 15237
179: ok 15238
179: ok 15239
179: ok 15240
179: ok 15241
179: ok 15242
179: ok 15243
179: ok 15244
179: ok 15245
179: ok 15246
179: ok 15247
179: ok 15248
179: ok 15249
179: ok 15250
179: ok 15251
179: ok 15252
179: ok 15253
179: ok 15254
179: ok 15255
179: ok 15256
179: ok 15257
179: ok 15258
179: ok 15259
179: ok 15260
179: ok 15261
179: ok 15262
179: ok 15263
179: ok 15264
179: ok 15265
179: ok 15266
179: ok 15267
179: ok 15268
179: ok 15269
179: ok 15270
179: ok 15271
179: ok 15272
179: ok 15273
179: ok 15274
179: ok 15275
179: ok 15276
179: ok 15277
179: ok 15278
179: ok 15279
179: ok 15280
179: ok 15281
179: ok 15282
179: ok 15283
179: ok 15284
179: ok 15285
179: ok 15286
179: ok 15287
179: ok 15288
179: ok 15289
179: ok 15290
179: ok 15291
179: ok 15292
179: ok 15293
179: ok 15294
179: ok 15295
179: ok 15296
179: ok 15297
179: ok 15298
179: ok 15299
179: ok 15300
179: ok 15301
179: ok 15302
179: ok 15303
179: ok 15304
179: ok 15305
179: ok 15306
179: ok 15307
179: ok 15308
179: ok 15309
179: ok 15310
179: ok 15311
179: ok 15312
179: ok 15313
179: ok 15314
179: ok 15315
179: ok 15316
179: ok 15317
179: ok 15318
179: ok 15319
179: ok 15320
179: ok 15321
179: ok 15322
179: ok 15323
179: ok 15324
179: ok 15325
179: ok 15326
179: ok 15327
179: ok 15328
179: ok 15329
179: ok 15330
179: ok 15331
179: ok 15332
179: ok 15333
179: ok 15334
179: ok 15335
179: ok 15336
179: ok 15337
179: ok 15338
179: ok 15339
179: ok 15340
179: ok 15341
179: ok 15342
179: ok 15343
179: ok 15344
179: ok 15345
179: ok 15346
179: ok 15347
179: ok 15348
179: ok 15349
179: ok 15350
179: ok 15351
179: ok 15352
179: ok 15353
179: ok 15354
179: ok 15355
179: ok 15356
179: ok 15357
179: ok 15358
179: ok 15359
179: ok 15360
179: ok 15361
179: ok 15362
179: ok 15363
179: ok 15364
179: ok 15365
179: ok 15366
179: ok 15367
179: ok 15368
179: ok 15369
179: ok 15370
179: ok 15371
179: ok 15372
179: ok 15373
179: ok 15374
179: ok 15375
179: ok 15376
179: ok 15377
179: ok 15378
179: ok 15379
179: ok 15380
179: ok 15381
179: ok 15382
179: ok 15383
179: ok 15384
179: ok 15385
179: ok 15386
179: ok 15387
179: ok 15388
179: ok 15389
179: ok 15390
179: ok 15391
179: ok 15392
179: ok 15393
179: ok 15394
179: ok 15395
179: ok 15396
179: ok 15397
179: ok 15398
179: ok 15399
179: ok 15400
179: ok 15401
179: ok 15402
179: ok 15403
179: ok 15404
179: ok 15405
179: ok 15406
179: ok 15407
179: ok 15408
179: ok 15409
179: ok 15410
179: ok 15411
179: ok 15412
179: ok 15413
179: ok 15414
179: ok 15415
179: ok 15416
179: ok 15417
179: ok 15418
179: ok 15419
179: ok 15420
179: ok 15421
179: ok 15422
179: ok 15423
179: ok 15424
179: ok 15425
179: ok 15426
179: ok 15427
179: ok 15428
179: ok 15429
179: ok 15430
179: ok 15431
179: ok 15432
179: ok 15433
179: ok 15434
179: ok 15435
179: ok 15436
179: ok 15437
179: ok 15438
179: ok 15439
179: ok 15440
179: ok 15441
179: ok 15442
179: ok 15443
179: ok 15444
179: ok 15445
179: ok 15446
179: ok 15447
179: ok 15448
179: ok 15449
179: ok 15450
179: ok 15451
179: ok 15452
179: ok 15453
179: ok 15454
179: ok 15455
179: ok 15456
179: ok 15457
179: ok 15458
179: ok 15459
179: ok 15460
179: ok 15461
179: ok 15462
179: ok 15463
179: ok 15464
179: ok 15465
179: ok 15466
179: ok 15467
179: ok 15468
179: ok 15469
179: ok 15470
179: ok 15471
179: ok 15472
179: ok 15473
179: ok 15474
179: ok 15475
179: ok 15476
179: ok 15477
179: ok 15478
179: ok 15479
179: ok 15480
179: ok 15481
179: ok 15482
179: ok 15483
179: ok 15484
179: ok 15485
179: ok 15486
179: ok 15487
179: ok 15488
179: ok 15489
179: ok 15490
179: ok 15491
179: ok 15492
179: ok 15493
179: ok 15494
179: ok 15495
179: ok 15496
179: ok 15497
179: ok 15498
179: ok 15499
179: ok 15500
179: ok 15501
179: ok 15502
179: ok 15503
179: ok 15504
179: ok 15505
179: ok 15506
179: ok 15507
179: ok 15508
179: ok 15509
179: ok 15510
179: ok 15511
179: ok 15512
179: ok 15513
179: ok 15514
179: ok 15515
179: ok 15516
179: ok 15517
179: ok 15518
179: ok 15519
179: ok 15520
179: ok 15521
179: ok 15522
179: ok 15523
179: ok 15524
179: ok 15525
179: ok 15526
179: ok 15527
179: ok 15528
179: ok 15529
179: ok 15530
179: ok 15531
179: ok 15532
179: ok 15533
179: ok 15534
179: ok 15535
179: ok 15536
179: ok 15537
179: ok 15538
179: ok 15539
179: ok 15540
179: ok 15541
179: ok 15542
179: ok 15543
179: ok 15544
179: ok 15545
179: ok 15546
179: ok 15547
179: ok 15548
179: ok 15549
179: ok 15550
179: ok 15551
179: ok 15552
179: ok 15553
179: ok 15554
179: ok 15555
179: ok 15556
179: ok 15557
179: ok 15558
179: ok 15559
179: ok 15560
179: ok 15561
179: ok 15562
179: ok 15563
179: ok 15564
179: ok 15565
179: ok 15566
179: ok 15567
179: ok 15568
179: ok 15569
179: ok 15570
179: ok 15571
179: ok 15572
179: ok 15573
179: ok 15574
179: ok 15575
179: ok 15576
179: ok 15577
179: ok 15578
179: ok 15579
179: ok 15580
179: ok 15581
179: ok 15582
179: ok 15583
179: ok 15584
179: ok 15585
179: ok 15586
179: ok 15587
179: ok 15588
179: ok 15589
179: ok 15590
179: ok 15591
179: ok 15592
179: ok 15593
179: ok 15594
179: ok 15595
179: ok 15596
179: ok 15597
179: ok 15598
179: ok 15599
179: ok 15600
179: ok 15601
179: ok 15602
179: ok 15603
179: ok 15604
179: ok 15605
179: ok 15606
179: ok 15607
179: ok 15608
179: ok 15609
179: ok 15610
179: ok 15611
179: ok 15612
179: ok 15613
179: ok 15614
179: ok 15615
179: ok 15616
179: ok 15617
179: ok 15618
179: ok 15619
179: ok 15620
179: ok 15621
179: ok 15622
179: ok 15623
179: ok 15624
179: ok 15625
179: ok 15626
179: ok 15627
179: ok 15628
179: ok 15629
179: ok 15630
179: ok 15631
179: ok 15632
179: ok 15633
179: ok 15634
179: ok 15635
179: ok 15636
179: ok 15637
179: ok 15638
179: ok 15639
179: ok 15640
179: ok 15641
179: ok 15642
179: ok 15643
179: ok 15644
179: ok 15645
179: ok 15646
179: ok 15647
179: ok 15648
179: ok 15649
179: ok 15650
179: ok 15651
179: ok 15652
179: ok 15653
179: ok 15654
179: ok 15655
179: ok 15656
179: ok 15657
179: ok 15658
179: ok 15659
179: ok 15660
179: ok 15661
179: ok 15662
179: ok 15663
179: ok 15664
179: ok 15665
179: ok 15666
179: ok 15667
179: ok 15668
179: ok 15669
179: ok 15670
179: ok 15671
179: ok 15672
179: ok 15673
179: ok 15674
179: ok 15675
179: ok 15676
179: ok 15677
179: ok 15678
179: ok 15679
179: ok 15680
179: ok 15681
179: ok 15682
179: ok 15683
179: ok 15684
179: ok 15685
179: ok 15686
179: ok 15687
179: ok 15688
179: ok 15689
179: ok 15690
179: ok 15691
179: ok 15692
179: ok 15693
179: ok 15694
179: ok 15695
179: ok 15696
179: ok 15697
179: ok 15698
179: ok 15699
179: ok 15700
179: ok 15701
179: ok 15702
179: ok 15703
179: ok 15704
179: ok 15705
179: ok 15706
179: ok 15707
179: ok 15708
179: ok 15709
179: ok 15710
179: ok 15711
179: ok 15712
179: ok 15713
179: ok 15714
179: ok 15715
179: ok 15716
179: ok 15717
179: ok 15718
179: ok 15719
179: ok 15720
179: ok 15721
179: ok 15722
179: ok 15723
179: ok 15724
179: ok 15725
179: ok 15726
179: ok 15727
179: ok 15728
179: ok 15729
179: ok 15730
179: ok 15731
179: ok 15732
179: ok 15733
179: ok 15734
179: ok 15735
179: ok 15736
179: ok 15737
179: ok 15738
179: ok 15739
179: ok 15740
179: ok 15741
179: ok 15742
179: ok 15743
179: ok 15744
179: ok 15745
179: ok 15746
179: ok 15747
179: ok 15748
179: ok 15749
179: ok 15750
179: ok 15751
179: ok 15752
179: ok 15753
179: ok 15754
179: ok 15755
179: ok 15756
179: ok 15757
179: ok 15758
179: ok 15759
179: ok 15760
179: ok 15761
179: ok 15762
179: ok 15763
179: ok 15764
179: ok 15765
179: ok 15766
179: ok 15767
179: ok 15768
179: ok 15769
179: ok 15770
179: ok 15771
179: ok 15772
179: ok 15773
179: ok 15774
179: ok 15775
179: ok 15776
179: ok 15777
179: ok 15778
179: ok 15779
179: ok 15780
179: ok 15781
179: ok 15782
179: ok 15783
179: ok 15784
179: ok 15785
179: ok 15786
179: ok 15787
179: ok 15788
179: ok 15789
179: ok 15790
179: ok 15791
179: ok 15792
179: ok 15793
179: ok 15794
179: ok 15795
179: ok 15796
179: ok 15797
179: ok 15798
179: ok 15799
179: ok 15800
179: ok 15801
179: ok 15802
179: ok 15803
179: ok 15804
179: ok 15805
179: ok 15806
179: ok 15807
179: ok 15808
179: ok 15809
179: ok 15810
179: ok 15811
179: ok 15812
179: ok 15813
179: ok 15814
179: ok 15815
179: ok 15816
179: ok 15817
179: ok 15818
179: ok 15819
179: ok 15820
179: ok 15821
179: ok 15822
179: ok 15823
179: ok 15824
179: ok 15825
179: ok 15826
179: ok 15827
179: ok 15828
179: ok 15829
179: ok 15830
179: ok 15831
179: ok 15832
179: ok 15833
179: ok 15834
179: ok 15835
179: ok 15836
179: ok 15837
179: ok 15838
179: ok 15839
179: ok 15840
179: ok 15841
179: ok 15842
179: ok 15843
179: ok 15844
179: ok 15845
179: ok 15846
179: ok 15847
179: ok 15848
179: ok 15849
179: ok 15850
179: ok 15851
179: ok 15852
179: ok 15853
179: ok 15854
179: ok 15855
179: ok 15856
179: ok 15857
179: ok 15858
179: ok 15859
179: ok 15860
179: ok 15861
179: ok 15862
179: ok 15863
179: ok 15864
179: ok 15865
179: ok 15866
179: ok 15867
179: ok 15868
179: ok 15869
179: ok 15870
179: ok 15871
179: ok 15872
179: ok 15873
179: ok 15874
179: ok 15875
179: ok 15876
179: ok 15877
179: ok 15878
179: ok 15879
179: ok 15880
179: ok 15881
179: ok 15882
179: ok 15883
179: ok 15884
179: ok 15885
179: ok 15886
179: ok 15887
179: ok 15888
179: ok 15889
179: ok 15890
179: ok 15891
179: ok 15892
179: ok 15893
179: ok 15894
179: ok 15895
179: ok 15896
179: ok 15897
179: ok 15898
179: ok 15899
179: ok 15900
179: ok 15901
179: ok 15902
179: ok 15903
179: ok 15904
179: ok 15905
179: ok 15906
179: ok 15907
179: ok 15908
179: ok 15909
179: ok 15910
179: ok 15911
179: ok 15912
179: ok 15913
179: ok 15914
179: ok 15915
179: ok 15916
179: ok 15917
179: ok 15918
179: ok 15919
179: ok 15920
179: ok 15921
179: ok 15922
179: ok 15923
179: ok 15924
179: ok 15925
179: ok 15926
179: ok 15927
179: ok 15928
179: ok 15929
179: ok 15930
179: ok 15931
179: ok 15932
179: ok 15933
179: ok 15934
179: ok 15935
179: ok 15936
179: ok 15937
179: ok 15938
179: ok 15939
179: ok 15940
179: ok 15941
179: ok 15942
179: ok 15943
179: ok 15944
179: ok 15945
179: ok 15946
179: ok 15947
179: ok 15948
179: ok 15949
179: ok 15950
179: ok 15951
179: ok 15952
179: ok 15953
179: ok 15954
179: ok 15955
179: ok 15956
179: ok 15957
179: ok 15958
179: ok 15959
179: ok 15960
179: ok 15961
179: ok 15962
179: ok 15963
179: ok 15964
179: ok 15965
179: ok 15966
179: ok 15967
179: ok 15968
179: ok 15969
179: ok 15970
179: ok 15971
179: ok 15972
179: ok 15973
179: ok 15974
179: ok 15975
179: ok 15976
179: ok 15977
179: ok 15978
179: ok 15979
179: ok 15980
179: ok 15981
179: ok 15982
179: ok 15983
179: ok 15984
179: ok 15985
179: ok 15986
179: ok 15987
179: ok 15988
179: ok 15989
179: ok 15990
179: ok 15991
179: ok 15992
179: ok 15993
179: ok 15994
179: ok 15995
179: ok 15996
179: ok 15997
179: ok 15998
179: ok 15999
179: ok 16000
179: ok 16001
179: ok 16002
179: ok 16003
179: ok 16004
179: ok 16005
179: ok 16006
179: ok 16007
179: ok 16008
179: ok 16009
179: ok 16010
179: ok 16011
179: ok 16012
179: ok 16013
179: ok 16014
179: ok 16015
179: ok 16016
179: ok 16017
179: ok 16018
179: ok 16019
179: ok 16020
179: ok 16021
179: ok 16022
179: ok 16023
179: ok 16024
179: ok 16025
179: ok 16026
179: ok 16027
179: ok 16028
179: ok 16029
179: ok 16030
179: ok 16031
179: ok 16032
179: ok 16033
179: ok 16034
179: ok 16035
179: ok 16036
179: ok 16037
179: ok 16038
179: ok 16039
179: ok 16040
179: ok 16041
179: ok 16042
179: ok 16043
179: ok 16044
179: ok 16045
179: ok 16046
179: ok 16047
179: ok 16048
179: ok 16049
179: ok 16050
179: ok 16051
179: ok 16052
179: ok 16053
179: ok 16054
179: ok 16055
179: ok 16056
179: ok 16057
179: ok 16058
179: ok 16059
179: ok 16060
179: ok 16061
179: ok 16062
179: ok 16063
179: ok 16064
179: ok 16065
179: ok 16066
179: ok 16067
179: ok 16068
179: ok 16069
179: ok 16070
179: ok 16071
179: ok 16072
179: ok 16073
179: ok 16074
179: ok 16075
179: ok 16076
179: ok 16077
179: ok 16078
179: ok 16079
179: ok 16080
179: ok 16081
179: ok 16082
179: ok 16083
179: ok 16084
179: ok 16085
179: ok 16086
179: ok 16087
179: ok 16088
179: ok 16089
179: ok 16090
179: ok 16091
179: ok 16092
179: ok 16093
179: ok 16094
179: ok 16095
179: ok 16096
179: ok 16097
179: ok 16098
179: ok 16099
179: ok 16100
179: ok 16101
179: ok 16102
179: ok 16103
179: ok 16104
179: ok 16105
179: ok 16106
179: ok 16107
179: ok 16108
179: ok 16109
179: ok 16110
179: ok 16111
179: ok 16112
179: ok 16113
179: ok 16114
179: ok 16115
179: ok 16116
179: ok 16117
179: ok 16118
179: ok 16119
179: ok 16120
179: ok 16121
179: ok 16122
179: ok 16123
179: ok 16124
179: ok 16125
179: ok 16126
179: ok 16127
179: ok 16128
179: ok 16129
179: ok 16130
179: ok 16131
179: ok 16132
179: ok 16133
179: ok 16134
179: ok 16135
179: ok 16136
179: ok 16137
179: ok 16138
179: ok 16139
179: ok 16140
179: ok 16141
179: ok 16142
179: ok 16143
179: ok 16144
179: ok 16145
179: ok 16146
179: ok 16147
179: ok 16148
179: ok 16149
179: ok 16150
179: ok 16151
179: ok 16152
179: ok 16153
179: ok 16154
179: ok 16155
179: ok 16156
179: ok 16157
179: ok 16158
179: ok 16159
179: ok 16160
179: ok 16161
179: ok 16162
179: ok 16163
179: ok 16164
179: ok 16165
179: ok 16166
179: ok 16167
179: ok 16168
179: ok 16169
179: ok 16170
179: ok 16171
179: ok 16172
179: ok 16173
179: ok 16174
179: ok 16175
179: ok 16176
179: ok 16177
179: ok 16178
179: ok 16179
179: ok 16180
179: ok 16181
179: ok 16182
179: ok 16183
179: ok 16184
179: ok 16185
179: ok 16186
179: ok 16187
179: ok 16188
179: ok 16189
179: ok 16190
179: ok 16191
179: ok 16192
179: ok 16193
179: ok 16194
179: ok 16195
179: ok 16196
179: ok 16197
179: ok 16198
179: ok 16199
179: ok 16200
179: ok 16201
179: ok 16202
179: ok 16203
179: ok 16204
179: ok 16205
179: ok 16206
179: ok 16207
179: ok 16208
179: ok 16209
179: ok 16210
179: ok 16211
179: ok 16212
179: ok 16213
179: ok 16214
179: ok 16215
179: ok 16216
179: ok 16217
179: ok 16218
179: ok 16219
179: ok 16220
179: ok 16221
179: ok 16222
179: ok 16223
179: ok 16224
179: ok 16225
179: ok 16226
179: ok 16227
179: ok 16228
179: ok 16229
179: ok 16230
179: ok 16231
179: ok 16232
179: ok 16233
179: ok 16234
179: ok 16235
179: ok 16236
179: ok 16237
179: ok 16238
179: ok 16239
179: ok 16240
179: ok 16241
179: ok 16242
179: ok 16243
179: ok 16244
179: ok 16245
179: ok 16246
179: ok 16247
179: ok 16248
179: ok 16249
179: ok 16250
179: ok 16251
179: ok 16252
179: ok 16253
179: ok 16254
179: ok 16255
179: ok 16256
179: ok 16257
179: ok 16258
179: ok 16259
179: ok 16260
179: ok 16261
179: ok 16262
179: ok 16263
179: ok 16264
179: ok 16265
179: ok 16266
179: ok 16267
179: ok 16268
179: ok 16269
179: ok 16270
179: ok 16271
179: ok 16272
179: ok 16273
179: ok 16274
179: ok 16275
179: ok 16276
179: ok 16277
179: ok 16278
179: ok 16279
179: ok 16280
179: ok 16281
179: ok 16282
179: ok 16283
179: ok 16284
179: ok 16285
179: ok 16286
179: ok 16287
179: ok 16288
179: ok 16289
179: ok 16290
179: ok 16291
179: ok 16292
179: ok 16293
179: ok 16294
179: ok 16295
179: ok 16296
179: ok 16297
179: ok 16298
179: ok 16299
179: ok 16300
179: ok 16301
179: ok 16302
179: ok 16303
179: ok 16304
179: ok 16305
179: ok 16306
179: ok 16307
179: ok 16308
179: ok 16309
179: ok 16310
179: ok 16311
179: ok 16312
179: ok 16313
179: ok 16314
179: ok 16315
179: ok 16316
179: ok 16317
179: ok 16318
179: ok 16319
179: ok 16320
179: ok 16321
179: ok 16322
179: ok 16323
179: ok 16324
179: ok 16325
179: ok 16326
179: ok 16327
179: ok 16328
179: ok 16329
179: ok 16330
179: ok 16331
179: ok 16332
179: ok 16333
179: ok 16334
179: ok 16335
179: ok 16336
179: ok 16337
179: ok 16338
179: ok 16339
179: ok 16340
179: ok 16341
179: ok 16342
179: ok 16343
179: ok 16344
179: ok 16345
179: ok 16346
179: ok 16347
179: ok 16348
179: ok 16349
179: ok 16350
179: ok 16351
179: ok 16352
179: ok 16353
179: ok 16354
179: ok 16355
179: ok 16356
179: ok 16357
179: ok 16358
179: ok 16359
179: ok 16360
179: ok 16361
179: ok 16362
179: ok 16363
179: ok 16364
179: ok 16365
179: ok 16366
179: ok 16367
179: ok 16368
179: ok 16369
179: ok 16370
179: ok 16371
179: ok 16372
179: ok 16373
179: ok 16374
179: ok 16375
179: ok 16376
179: ok 16377
179: ok 16378
179: ok 16379
179: ok 16380
179: ok 16381
179: ok 16382
179: ok 16383
179: ok 16384
179: ok 16385
179: ok 16386
179: ok 16387
179: ok 16388
179: ok 16389
179: ok 16390
179: ok 16391
179: ok 16392
179: ok 16393
179: ok 16394
179: ok 16395
179: ok 16396
179: ok 16397
179: ok 16398
179: ok 16399
179: ok 16400
179: ok 16401
179: ok 16402
179: ok 16403
179: ok 16404
179: ok 16405
179: ok 16406
179: ok 16407
179: ok 16408
179: ok 16409
179: ok 16410
179: ok 16411
179: ok 16412
179: ok 16413
179: ok 16414
179: ok 16415
179: ok 16416
179: ok 16417
179: ok 16418
179: ok 16419
179: ok 16420
179: ok 16421
179: ok 16422
179: ok 16423
179: ok 16424
179: ok 16425
179: ok 16426
179: ok 16427
179: ok 16428
179: ok 16429
179: ok 16430
179: ok 16431
179: ok 16432
179: ok 16433
179: ok 16434
179: ok 16435
179: ok 16436
179: ok 16437
179: ok 16438
179: ok 16439
179: ok 16440
179: ok 16441
179: ok 16442
179: ok 16443
179: ok 16444
179: ok 16445
179: ok 16446
179: ok 16447
179: ok 16448
179: ok 16449
179: ok 16450
179: ok 16451
179: ok 16452
179: ok 16453
179: ok 16454
179: ok 16455
179: ok 16456
179: ok 16457
179: ok 16458
179: ok 16459
179: ok 16460
179: ok 16461
179: ok 16462
179: ok 16463
179: ok 16464
179: ok 16465
179: ok 16466
179: ok 16467
179: ok 16468
179: ok 16469
179: ok 16470
179: ok 16471
179: ok 16472
179: ok 16473
179: ok 16474
179: ok 16475
179: ok 16476
179: ok 16477
179: ok 16478
179: ok 16479
179: ok 16480
179: ok 16481
179: ok 16482
179: ok 16483
179: ok 16484
179: ok 16485
179: ok 16486
179: ok 16487
179: ok 16488
179: ok 16489
179: ok 16490
179: ok 16491
179: ok 16492
179: ok 16493
179: ok 16494
179: ok 16495
179: ok 16496
179: ok 16497
179: ok 16498
179: ok 16499
179: ok 16500
179: ok 16501
179: ok 16502
179: ok 16503
179: ok 16504
179: ok 16505
179: ok 16506
179: ok 16507
179: ok 16508
179: ok 16509
179: ok 16510
179: ok 16511
179: ok 16512
179: ok 16513
179: ok 16514
179: ok 16515
179: ok 16516
179: ok 16517
179: ok 16518
179: ok 16519
179: ok 16520
179: ok 16521
179: ok 16522
179: ok 16523
179: ok 16524
179: ok 16525
179: ok 16526
179: ok 16527
179: ok 16528
179: ok 16529
179: ok 16530
179: ok 16531
179: ok 16532
179: ok 16533
179: ok 16534
179: ok 16535
179: ok 16536
179: ok 16537
179: ok 16538
179: ok 16539
179: ok 16540
179: ok 16541
179: ok 16542
179: ok 16543
179: ok 16544
179: ok 16545
179: ok 16546
179: ok 16547
179: ok 16548
179: ok 16549
179: ok 16550
179: ok 16551
179: ok 16552
179: ok 16553
179: ok 16554
179: ok 16555
179: ok 16556
179: ok 16557
179: ok 16558
179: ok 16559
179: ok 16560
179: ok 16561
179: ok 16562
179: ok 16563
179: ok 16564
179: ok 16565
179: ok 16566
179: ok 16567
179: ok 16568
179: ok 16569
179: ok 16570
179: ok 16571
179: ok 16572
179: ok 16573
179: ok 16574
179: ok 16575
179: ok 16576
179: ok 16577
179: ok 16578
179: ok 16579
179: ok 16580
179: ok 16581
179: ok 16582
179: ok 16583
179: ok 16584
179: ok 16585
179: ok 16586
179: ok 16587
179: ok 16588
179: ok 16589
179: ok 16590
179: ok 16591
179: ok 16592
179: ok 16593
179: ok 16594
179: ok 16595
179: ok 16596
179: ok 16597
179: ok 16598
179: ok 16599
179: ok 16600
179: ok 16601
179: ok 16602
179: ok 16603
179: ok 16604
179: ok 16605
179: ok 16606
179: ok 16607
179: ok 16608
179: ok 16609
179: ok 16610
179: ok 16611
179: ok 16612
179: ok 16613
179: ok 16614
179: ok 16615
179: ok 16616
179: ok 16617
179: ok 16618
179: ok 16619
179: ok 16620
179: ok 16621
179: ok 16622
179: ok 16623
179: ok 16624
179: ok 16625
179: ok 16626
179: ok 16627
179: ok 16628
179: ok 16629
179: ok 16630
179: ok 16631
179: ok 16632
179: ok 16633
179: ok 16634
179: ok 16635
179: ok 16636
179: ok 16637
179: ok 16638
179: ok 16639
179: ok 16640
179: ok 16641
179: ok 16642
179: ok 16643
179: ok 16644
179: ok 16645
179: ok 16646
179: ok 16647
179: ok 16648
179: ok 16649
179: ok 16650
179: ok 16651
179: ok 16652
179: ok 16653
179: ok 16654
179: ok 16655
179: ok 16656
179: ok 16657
179: ok 16658
179: ok 16659
179: ok 16660
179: ok 16661
179: ok 16662
179: ok 16663
179: ok 16664
179: ok 16665
179: ok 16666
179: ok 16667
179: ok 16668
179: ok 16669
179: ok 16670
179: ok 16671
179: ok 16672
179: ok 16673
179: ok 16674
179: ok 16675
179: ok 16676
179: ok 16677
179: ok 16678
179: ok 16679
179: ok 16680
179: ok 16681
179: ok 16682
179: ok 16683
179: ok 16684
179: ok 16685
179: ok 16686
179: ok 16687
179: ok 16688
179: ok 16689
179: ok 16690
179: ok 16691
179: ok 16692
179: ok 16693
179: ok 16694
179: ok 16695
179: ok 16696
179: ok 16697
179: ok 16698
179: ok 16699
179: ok 16700
179: ok 16701
179: ok 16702
179: ok 16703
179: ok 16704
179: ok 16705
179: ok 16706
179: ok 16707
179: ok 16708
179: ok 16709
179: ok 16710
179: ok 16711
179: ok 16712
179: ok 16713
179: ok 16714
179: ok 16715
179: ok 16716
179: ok 16717
179: ok 16718
179: ok 16719
179: ok 16720
179: ok 16721
179: ok 16722
179: ok 16723
179: ok 16724
179: ok 16725
179: ok 16726
179: ok 16727
179: ok 16728
179: ok 16729
179: ok 16730
179: ok 16731
179: ok 16732
179: ok 16733
179: ok 16734
179: ok 16735
179: ok 16736
179: ok 16737
179: ok 16738
179: ok 16739
179: ok 16740
179: ok 16741
179: ok 16742
179: ok 16743
179: ok 16744
179: ok 16745
179: ok 16746
179: ok 16747
179: ok 16748
179: ok 16749
179: ok 16750
179: ok 16751
179: ok 16752
179: ok 16753
179: ok 16754
179: ok 16755
179: ok 16756
179: ok 16757
179: ok 16758
179: ok 16759
179: ok 16760
179: ok 16761
179: ok 16762
179: ok 16763
179: ok 16764
179: ok 16765
179: ok 16766
179: ok 16767
179: ok 16768
179: ok 16769
179: ok 16770
179: ok 16771
179: ok 16772
179: ok 16773
179: ok 16774
179: ok 16775
179: ok 16776
179: ok 16777
179: ok 16778
179: ok 16779
179: ok 16780
179: ok 16781
179: ok 16782
179: ok 16783
179: ok 16784
179: ok 16785
179: ok 16786
179: ok 16787
179: ok 16788
179: ok 16789
179: ok 16790
179: ok 16791
179: ok 16792
179: ok 16793
179: ok 16794
179: ok 16795
179: ok 16796
179: ok 16797
179: ok 16798
179: ok 16799
179: ok 16800
179: ok 16801
179: ok 16802
179: ok 16803
179: ok 16804
179: ok 16805
179: ok 16806
179: ok 16807
179: ok 16808
179: ok 16809
179: ok 16810
179: ok 16811
179: ok 16812
179: ok 16813
179: ok 16814
179: ok 16815
179: ok 16816
179: ok 16817
179: ok 16818
179: ok 16819
179: ok 16820
179: ok 16821
179: ok 16822
179: ok 16823
179: ok 16824
179: ok 16825
179: ok 16826
179: ok 16827
179: ok 16828
179: ok 16829
179: ok 16830
179: ok 16831
179: ok 16832
179: ok 16833
179: ok 16834
179: ok 16835
179: ok 16836
179: ok 16837
179: ok 16838
179: ok 16839
179: ok 16840
179: ok 16841
179: ok 16842
179: ok 16843
179: ok 16844
179: ok 16845
179: ok 16846
179: ok 16847
179: ok 16848
179: ok 16849
179: ok 16850
179: ok 16851
179: ok 16852
179: ok 16853
179: ok 16854
179: ok 16855
179: ok 16856
179: ok 16857
179: ok 16858
179: ok 16859
179: ok 16860
179: ok 16861
179: ok 16862
179: ok 16863
179: ok 16864
179: ok 16865
179: ok 16866
179: ok 16867
179: ok 16868
179: ok 16869
179: ok 16870
179: ok 16871
179: ok 16872
179: ok 16873
179: ok 16874
179: ok 16875
179: ok 16876
179: ok 16877
179: ok 16878
179: ok 16879
179: ok 16880
179: ok 16881
179: ok 16882
179: ok 16883
179: ok 16884
179: ok 16885
179: ok 16886
179: ok 16887
179: ok 16888
179: ok 16889
179: ok 16890
179: ok 16891
179: ok 16892
179: ok 16893
179: ok 16894
179: ok 16895
179: ok 16896
179: ok 16897
179: ok 16898
179: ok 16899
179: ok 16900
179: ok 16901
179: ok 16902
179: ok 16903
179: ok 16904
179: ok 16905
179: ok 16906
179: ok 16907
179: ok 16908
179: ok 16909
179: ok 16910
179: ok 16911
179: ok 16912
179: ok 16913
179: ok 16914
179: ok 16915
179: ok 16916
179: ok 16917
179: ok 16918
179: ok 16919
179: ok 16920
179: ok 16921
179: ok 16922
179: ok 16923
179: ok 16924
179: ok 16925
179: ok 16926
179: ok 16927
179: ok 16928
179: ok 16929
179: ok 16930
179: ok 16931
179: ok 16932
179: ok 16933
179: ok 16934
179: ok 16935
179: ok 16936
179: ok 16937
179: ok 16938
179: ok 16939
179: ok 16940
179: ok 16941
179: ok 16942
179: ok 16943
179: ok 16944
179: ok 16945
179: ok 16946
179: ok 16947
179: ok 16948
179: ok 16949
179: ok 16950
179: ok 16951
179: ok 16952
179: ok 16953
179: ok 16954
179: ok 16955
179: ok 16956
179: ok 16957
179: ok 16958
179: ok 16959
179: ok 16960
179: ok 16961
179: ok 16962
179: ok 16963
179: ok 16964
179: ok 16965
179: ok 16966
179: ok 16967
179: ok 16968
179: ok 16969
179: ok 16970
179: ok 16971
179: ok 16972
179: ok 16973
179: ok 16974
179: ok 16975
179: ok 16976
179: ok 16977
179: ok 16978
179: ok 16979
179: ok 16980
179: ok 16981
179: ok 16982
179: ok 16983
179: ok 16984
179: ok 16985
179: ok 16986
179: ok 16987
179: ok 16988
179: ok 16989
179: ok 16990
179: ok 16991
179: ok 16992
179: ok 16993
179: ok 16994
179: ok 16995
179: ok 16996
179: ok 16997
179: ok 16998
179: ok 16999
179: ok 17000
179: ok 17001
179: ok 17002
179: ok 17003
179: ok 17004
179: ok 17005
179: ok 17006
179: ok 17007
179: ok 17008
179: ok 17009
179: ok 17010
179: ok 17011
179: ok 17012
179: ok 17013
179: ok 17014
179: ok 17015
179: ok 17016
179: ok 17017
179: ok 17018
179: ok 17019
179: ok 17020
179: ok 17021
179: ok 17022
179: ok 17023
179: ok 17024
179: ok 17025
179: ok 17026
179: ok 17027
179: ok 17028
179: ok 17029
179: ok 17030
179: ok 17031
179: ok 17032
179: ok 17033
179: ok 17034
179: ok 17035
179: ok 17036
179: ok 17037
179: ok 17038
179: ok 17039
179: ok 17040
179: ok 17041
179: ok 17042
179: ok 17043
179: ok 17044
179: ok 17045
179: ok 17046
179: ok 17047
179: ok 17048
179: ok 17049
179: ok 17050
179: ok 17051
179: ok 17052
179: ok 17053
179: ok 17054
179: ok 17055
179: ok 17056
179: ok 17057
179: ok 17058
179: ok 17059
179: ok 17060
179: ok 17061
179: ok 17062
179: ok 17063
179: ok 17064
179: ok 17065
179: ok 17066
179: ok 17067
179: ok 17068
179: ok 17069
179: ok 17070
179: ok 17071
179: ok 17072
179: ok 17073
179: ok 17074
179: ok 17075
179: ok 17076
179: ok 17077
179: ok 17078
179: ok 17079
179: ok 17080
179: ok 17081
179: ok 17082
179: ok 17083
179: ok 17084
179: ok 17085
179: ok 17086
179: ok 17087
179: ok 17088
179: ok 17089
179: ok 17090
179: ok 17091
179: ok 17092
179: ok 17093
179: ok 17094
179: ok 17095
179: ok 17096
179: ok 17097
179: ok 17098
179: ok 17099
179: ok 17100
179: ok 17101
179: ok 17102
179: ok 17103
179: ok 17104
179: ok 17105
179: ok 17106
179: ok 17107
179: ok 17108
179: ok 17109
179: ok 17110
179: ok 17111
179: ok 17112
179: ok 17113
179: ok 17114
179: ok 17115
179: ok 17116
179: ok 17117
179: ok 17118
179: ok 17119
179: ok 17120
179: ok 17121
179: ok 17122
179: ok 17123
179: ok 17124
179: ok 17125
179: ok 17126
179: ok 17127
179: ok 17128
179: ok 17129
179: ok 17130
179: ok 17131
179: ok 17132
179: ok 17133
179: ok 17134
179: ok 17135
179: ok 17136
179: ok 17137
179: ok 17138
179: ok 17139
179: ok 17140
179: ok 17141
179: ok 17142
179: ok 17143
179: ok 17144
179: ok 17145
179: ok 17146
179: ok 17147
179: ok 17148
179: ok 17149
179: ok 17150
179: ok 17151
179: ok 17152
179: ok 17153
179: ok 17154
179: ok 17155
179: ok 17156
179: ok 17157
179: ok 17158
179: ok 17159
179: ok 17160
179: ok 17161
179: ok 17162
179: ok 17163
179: ok 17164
179: ok 17165
179: ok 17166
179: ok 17167
179: ok 17168
179: ok 17169
179: ok 17170
179: ok 17171
179: ok 17172
179: ok 17173
179: ok 17174
179: ok 17175
179: ok 17176
179: ok 17177
179: ok 17178
179: ok 17179
179: ok 17180
179: ok 17181
179: ok 17182
179: ok 17183
179: ok 17184
179: ok 17185
179: ok 17186
179: ok 17187
179: ok 17188
179: ok 17189
179: ok 17190
179: ok 17191
179: ok 17192
179: ok 17193
179: ok 17194
179: ok 17195
179: ok 17196
179: ok 17197
179: ok 17198
179: ok 17199
179: ok 17200
179: ok 17201
179: ok 17202
179: ok 17203
179: ok 17204
179: ok 17205
179: ok 17206
179: ok 17207
179: ok 17208
179: ok 17209
179: ok 17210
179: ok 17211
179: ok 17212
179: ok 17213
179: ok 17214
179: ok 17215
179: ok 17216
179: ok 17217
179: ok 17218
179: ok 17219
179: ok 17220
179: ok 17221
179: ok 17222
179: ok 17223
179: ok 17224
179: ok 17225
179: ok 17226
179: ok 17227
179: ok 17228
179: ok 17229
179: ok 17230
179: ok 17231
179: ok 17232
179: ok 17233
179: ok 17234
179: ok 17235
179: ok 17236
179: ok 17237
179: ok 17238
179: ok 17239
179: ok 17240
179: ok 17241
179: ok 17242
179: ok 17243
179: ok 17244
179: ok 17245
179: ok 17246
179: ok 17247
179: ok 17248
179: ok 17249
179: ok 17250
179: ok 17251
179: ok 17252
179: ok 17253
179: ok 17254
179: ok 17255
179: ok 17256
179: ok 17257
179: ok 17258
179: ok 17259
179: ok 17260
179: ok 17261
179: ok 17262
179: ok 17263
179: ok 17264
179: ok 17265
179: ok 17266
179: ok 17267
179: ok 17268
179: ok 17269
179: ok 17270
179: ok 17271
179: ok 17272
179: ok 17273
179: ok 17274
179: ok 17275
179: ok 17276
179: ok 17277
179: ok 17278
179: ok 17279
179: ok 17280
179: ok 17281
179: ok 17282
179: ok 17283
179: ok 17284
179: ok 17285
179: ok 17286
179: ok 17287
179: ok 17288
179: ok 17289
179: ok 17290
179: ok 17291
179: ok 17292
179: ok 17293
179: ok 17294
179: ok 17295
179: ok 17296
179: ok 17297
179: ok 17298
179: ok 17299
179: ok 17300
179: ok 17301
179: ok 17302
179: ok 17303
179: ok 17304
179: ok 17305
179: ok 17306
179: ok 17307
179: ok 17308
179: ok 17309
179: ok 17310
179: ok 17311
179: ok 17312
179: ok 17313
179: ok 17314
179: ok 17315
179: ok 17316
179: ok 17317
179: ok 17318
179: ok 17319
179: ok 17320
179: ok 17321
179: ok 17322
179: ok 17323
179: ok 17324
179: ok 17325
179: ok 17326
179: ok 17327
179: ok 17328
179: ok 17329
179: ok 17330
179: ok 17331
179: ok 17332
179: ok 17333
179: ok 17334
179: ok 17335
179: ok 17336
179: ok 17337
179: ok 17338
179: ok 17339
179: ok 17340
179: ok 17341
179: ok 17342
179: ok 17343
179: ok 17344
179: ok 17345
179: ok 17346
179: ok 17347
179: ok 17348
179: ok 17349
179: ok 17350
179: ok 17351
179: ok 17352
179: ok 17353
179: ok 17354
179: ok 17355
179: ok 17356
179: ok 17357
179: ok 17358
179: ok 17359
179: ok 17360
179: ok 17361
179: ok 17362
179: ok 17363
179: ok 17364
179: ok 17365
179: ok 17366
179: ok 17367
179: ok 17368
179: ok 17369
179: ok 17370
179: ok 17371
179: ok 17372
179: ok 17373
179: ok 17374
179: ok 17375
179: ok 17376
179: ok 17377
179: ok 17378
179: ok 17379
179: ok 17380
179: ok 17381
179: ok 17382
179: ok 17383
179: ok 17384
179: ok 17385
179: ok 17386
179: ok 17387
179: ok 17388
179: ok 17389
179: ok 17390
179: ok 17391
179: ok 17392
179: ok 17393
179: ok 17394
179: ok 17395
179: ok 17396
179: ok 17397
179: ok 17398
179: ok 17399
179: ok 17400
179: ok 17401
179: ok 17402
179: ok 17403
179: ok 17404
179: ok 17405
179: ok 17406
179: ok 17407
179: ok 17408
179: ok 17409
179: ok 17410
179: ok 17411
179: ok 17412
179: ok 17413
179: ok 17414
179: ok 17415
179: ok 17416
179: ok 17417
179: ok 17418
179: ok 17419
179: ok 17420
179: ok 17421
179: ok 17422
179: ok 17423
179: ok 17424
179: ok 17425
179: ok 17426
179: ok 17427
179: ok 17428
179: ok 17429
179: ok 17430
179: ok 17431
179: ok 17432
179: ok 17433
179: ok 17434
179: ok 17435
179: ok 17436
179: ok 17437
179: ok 17438
179: ok 17439
179: ok 17440
179: ok 17441
179: ok 17442
179: ok 17443
179: ok 17444
179: ok 17445
179: ok 17446
179: ok 17447
179: ok 17448
179: ok 17449
179: ok 17450
179: ok 17451
179: ok 17452
179: ok 17453
179: ok 17454
179: ok 17455
179: ok 17456
179: ok 17457
179: ok 17458
179: ok 17459
179: ok 17460
179: ok 17461
179: ok 17462
179: ok 17463
179: ok 17464
179: ok 17465
179: ok 17466
179: ok 17467
179: ok 17468
179: ok 17469
179: ok 17470
179: ok 17471
179: ok 17472
179: ok 17473
179: ok 17474
179: ok 17475
179: ok 17476
179: ok 17477
179: ok 17478
179: ok 17479
179: ok 17480
179: ok 17481
179: ok 17482
179: ok 17483
179: ok 17484
179: ok 17485
179: ok 17486
179: ok 17487
179: ok 17488
179: ok 17489
179: ok 17490
179: ok 17491
179: ok 17492
179: ok 17493
179: ok 17494
179: ok 17495
179: ok 17496
179: ok 17497
179: ok 17498
179: ok 17499
179: ok 17500
179: ok 17501
179: ok 17502
179: ok 17503
179: ok 17504
179: ok 17505
179: ok 17506
179: ok 17507
179: ok 17508
179: ok 17509
179: ok 17510
179: ok 17511
179: ok 17512
179: ok 17513
179: ok 17514
179: ok 17515
179: ok 17516
179: ok 17517
179: ok 17518
179: ok 17519
179: ok 17520
179: ok 17521
179: ok 17522
179: ok 17523
179: ok 17524
179: ok 17525
179: ok 17526
179: ok 17527
179: ok 17528
179: ok 17529
179: ok 17530
179: ok 17531
179: ok 17532
179: ok 17533
179: ok 17534
179: ok 17535
179: ok 17536
179: ok 17537
179: ok 17538
179: ok 17539
179: ok 17540
179: ok 17541
179: ok 17542
179: ok 17543
179: ok 17544
179: ok 17545
179: ok 17546
179: ok 17547
179: ok 17548
179: ok 17549
179: ok 17550
179: ok 17551
179: ok 17552
179: ok 17553
179: ok 17554
179: ok 17555
179: ok 17556
179: ok 17557
179: ok 17558
179: ok 17559
179: ok 17560
179: ok 17561
179: ok 17562
179: ok 17563
179: ok 17564
179: ok 17565
179: ok 17566
179: ok 17567
179: ok 17568
179: ok 17569
179: ok 17570
179: ok 17571
179: ok 17572
179: ok 17573
179: ok 17574
179: ok 17575
179: ok 17576
179: ok 17577
179: ok 17578
179: ok 17579
179: ok 17580
179: ok 17581
179: ok 17582
179: ok 17583
179: ok 17584
179: ok 17585
179: ok 17586
179: ok 17587
179: ok 17588
179: ok 17589
179: ok 17590
179: ok 17591
179: ok 17592
179: ok 17593
179: ok 17594
179: ok 17595
179: ok 17596
179: ok 17597
179: ok 17598
179: ok 17599
179: ok 17600
179: ok 17601
179: ok 17602
179: ok 17603
179: ok 17604
179: ok 17605
179: ok 17606
179: ok 17607
179: ok 17608
179: ok 17609
179: ok 17610
179: ok 17611
179: ok 17612
179: ok 17613
179: ok 17614
179: ok 17615
179: ok 17616
179: ok 17617
179: ok 17618
179: ok 17619
179: ok 17620
179: ok 17621
179: ok 17622
179: ok 17623
179: ok 17624
179: ok 17625
179: ok 17626
179: ok 17627
179: ok 17628
179: ok 17629
179: ok 17630
179: ok 17631
179: ok 17632
179: ok 17633
179: ok 17634
179: ok 17635
179: ok 17636
179: ok 17637
179: ok 17638
179: ok 17639
179: ok 17640
179: ok 17641
179: ok 17642
179: ok 17643
179: ok 17644
179: ok 17645
179: ok 17646
179: ok 17647
179: ok 17648
179: ok 17649
179: ok 17650
179: ok 17651
179: ok 17652
179: ok 17653
179: ok 17654
179: ok 17655
179: ok 17656
179: ok 17657
179: ok 17658
179: ok 17659
179: ok 17660
179: ok 17661
179: ok 17662
179: ok 17663
179: ok 17664
179: ok 17665
179: ok 17666
179: ok 17667
179: ok 17668
179: ok 17669
179: ok 17670
179: ok 17671
179: ok 17672
179: ok 17673
179: ok 17674
179: ok 17675
179: ok 17676
179: ok 17677
179: ok 17678
179: ok 17679
179: ok 17680
179: ok 17681
179: ok 17682
179: ok 17683
179: ok 17684
179: ok 17685
179: ok 17686
179: ok 17687
179: ok 17688
179: ok 17689
179: ok 17690
179: ok 17691
179: ok 17692
179: ok 17693
179: ok 17694
179: ok 17695
179: ok 17696
179: ok 17697
179: ok 17698
179: ok 17699
179: ok 17700
179: ok 17701
179: ok 17702
179: ok 17703
179: ok 17704
179: ok 17705
179: ok 17706
179: ok 17707
179: ok 17708
179: ok 17709
179: ok 17710
179: ok 17711
179: ok 17712
179: ok 17713
179: ok 17714
179: ok 17715
179: ok 17716
179: ok 17717
179: ok 17718
179: ok 17719
179: ok 17720
179: ok 17721
179: ok 17722
179: ok 17723
179: ok 17724
179: ok 17725
179: ok 17726
179: ok 17727
179: ok 17728
179: ok 17729
179: ok 17730
179: ok 17731
179: ok 17732
179: ok 17733
179: ok 17734
179: ok 17735
179: ok 17736
179: ok 17737
179: ok 17738
179: ok 17739
179: ok 17740
179: ok 17741
179: ok 17742
179: ok 17743
179: ok 17744
179: ok 17745
179: ok 17746
179: ok 17747
179: ok 17748
179: ok 17749
179: ok 17750
179: ok 17751
179: ok 17752
179: ok 17753
179: ok 17754
179: ok 17755
179: ok 17756
179: ok 17757
179: ok 17758
179: ok 17759
179: ok 17760
179: ok 17761
179: ok 17762
179: ok 17763
179: ok 17764
179: ok 17765
179: ok 17766
179: ok 17767
179: ok 17768
179: ok 17769
179: ok 17770
179: ok 17771
179: ok 17772
179: ok 17773
179: ok 17774
179: ok 17775
179: ok 17776
179: ok 17777
179: ok 17778
179: ok 17779
179: ok 17780
179: ok 17781
179: ok 17782
179: ok 17783
179: ok 17784
179: ok 17785
179: ok 17786
179: ok 17787
179: ok 17788
179: ok 17789
179: ok 17790
179: ok 17791
179: ok 17792
179: ok 17793
179: ok 17794
179: ok 17795
179: ok 17796
179: ok 17797
179: ok 17798
179: ok 17799
179: ok 17800
179: ok 17801
179: ok 17802
179: ok 17803
179: ok 17804
179: ok 17805
179: ok 17806
179: ok 17807
179: ok 17808
179: ok 17809
179: ok 17810
179: ok 17811
179: ok 17812
179: ok 17813
179: ok 17814
179: ok 17815
179: ok 17816
179: ok 17817
179: ok 17818
179: ok 17819
179: ok 17820
179: ok 17821
179: ok 17822
179: ok 17823
179: ok 17824
179: ok 17825
179: ok 17826
179: ok 17827
179: ok 17828
179: ok 17829
179: ok 17830
179: ok 17831
179: ok 17832
179: ok 17833
179: ok 17834
179: ok 17835
179: ok 17836
179: ok 17837
179: ok 17838
179: ok 17839
179: ok 17840
179: ok 17841
179: ok 17842
179: ok 17843
179: ok 17844
179: ok 17845
179: ok 17846
179: ok 17847
179: ok 17848
179: ok 17849
179: ok 17850
179: ok 17851
179: ok 17852
179: ok 17853
179: ok 17854
179: ok 17855
179: ok 17856
179: ok 17857
179: ok 17858
179: ok 17859
179: ok 17860
179: ok 17861
179: ok 17862
179: ok 17863
179: ok 17864
179: ok 17865
179: ok 17866
179: ok 17867
179: ok 17868
179: ok 17869
179: ok 17870
179: ok 17871
179: ok 17872
179: ok 17873
179: ok 17874
179: ok 17875
179: ok 17876
179: ok 17877
179: ok 17878
179: ok 17879
179: ok 17880
179: ok 17881
179: ok 17882
179: ok 17883
179: ok 17884
179: ok 17885
179: ok 17886
179: ok 17887
179: ok 17888
179: ok 17889
179: ok 17890
179: ok 17891
179: ok 17892
179: ok 17893
179: ok 17894
179: ok 17895
179: ok 17896
179: ok 17897
179: ok 17898
179: ok 17899
179: ok 17900
179: ok 17901
179: ok 17902
179: ok 17903
179: ok 17904
179: ok 17905
179: ok 17906
179: ok 17907
179: ok 17908
179: ok 17909
179: ok 17910
179: ok 17911
179: ok 17912
179: ok 17913
179: ok 17914
179: ok 17915
179: ok 17916
179: ok 17917
179: ok 17918
179: ok 17919
179: ok 17920
179: ok 17921
179: ok 17922
179: ok 17923
179: ok 17924
179: ok 17925
179: ok 17926
179: ok 17927
179: ok 17928
179: ok 17929
179: ok 17930
179: ok 17931
179: ok 17932
179: ok 17933
179: ok 17934
179: ok 17935
179: ok 17936
179: ok 17937
179: ok 17938
179: ok 17939
179: ok 17940
179: ok 17941
179: ok 17942
179: ok 17943
179: ok 17944
179: ok 17945
179: ok 17946
179: ok 17947
179: ok 17948
179: ok 17949
179: ok 17950
179: ok 17951
179: ok 17952
179: ok 17953
179: ok 17954
179: ok 17955
179: ok 17956
179: ok 17957
179: ok 17958
179: ok 17959
179: ok 17960
179: ok 17961
179: ok 17962
179: ok 17963
179: ok 17964
179: ok 17965
179: ok 17966
179: ok 17967
179: ok 17968
179: ok 17969
179: ok 17970
179: ok 17971
179: ok 17972
179: ok 17973
179: ok 17974
179: ok 17975
179: ok 17976
179: ok 17977
179: ok 17978
179: ok 17979
179: ok 17980
179: ok 17981
179: ok 17982
179: ok 17983
179: ok 17984
179: ok 17985
179: ok 17986
179: ok 17987
179: ok 17988
179: ok 17989
179: ok 17990
179: ok 17991
179: ok 17992
179: ok 17993
179: ok 17994
179: ok 17995
179: ok 17996
179: ok 17997
179: ok 17998
179: ok 17999
179: ok 18000
179: ok 18001
179: ok 18002
179: ok 18003
179: ok 18004
179: ok 18005
179: ok 18006
179: ok 18007
179: ok 18008
179: ok 18009
179: ok 18010
179: ok 18011
179: ok 18012
179: ok 18013
179: ok 18014
179: ok 18015
179: ok 18016
179: ok 18017
179: ok 18018
179: ok 18019
179: ok 18020
179: ok 18021
179: ok 18022
179: ok 18023
179: ok 18024
179: ok 18025
179: ok 18026
179: ok 18027
179: ok 18028
179: ok 18029
179: ok 18030
179: ok 18031
179: ok 18032
179: ok 18033
179: ok 18034
179: ok 18035
179: ok 18036
179: ok 18037
179: ok 18038
179: ok 18039
179: ok 18040
179: ok 18041
179: ok 18042
179: ok 18043
179: ok 18044
179: ok 18045
179: ok 18046
179: ok 18047
179: ok 18048
179: ok 18049
179: ok 18050
179: ok 18051
179: ok 18052
179: ok 18053
179: ok 18054
179: ok 18055
179: ok 18056
179: ok 18057
179: ok 18058
179: ok 18059
179: ok 18060
179: ok 18061
179: ok 18062
179: ok 18063
179: ok 18064
179: ok 18065
179: ok 18066
179: ok 18067
179: ok 18068
179: ok 18069
179: ok 18070
179: ok 18071
179: ok 18072
179: ok 18073
179: ok 18074
179: ok 18075
179: ok 18076
179: ok 18077
179: ok 18078
179: ok 18079
179: ok 18080
179: ok 18081
179: ok 18082
179: ok 18083
179: ok 18084
179: ok 18085
179: ok 18086
179: ok 18087
179: ok 18088
179: ok 18089
179: ok 18090
179: ok 18091
179: ok 18092
179: ok 18093
179: ok 18094
179: ok 18095
179: ok 18096
179: ok 18097
179: ok 18098
179: ok 18099
179: ok 18100
179: ok 18101
179: ok 18102
179: ok 18103
179: ok 18104
179: ok 18105
179: ok 18106
179: ok 18107
179: ok 18108
179: ok 18109
179: ok 18110
179: ok 18111
179: ok 18112
179: ok 18113
179: ok 18114
179: ok 18115
179: ok 18116
179: ok 18117
179: ok 18118
179: ok 18119
179: ok 18120
179: ok 18121
179: ok 18122
179: ok 18123
179: ok 18124
179: ok 18125
179: ok 18126
179: ok 18127
179: ok 18128
179: ok 18129
179: ok 18130
179: ok 18131
179: ok 18132
179: ok 18133
179: ok 18134
179: ok 18135
179: ok 18136
179: ok 18137
179: ok 18138
179: ok 18139
179: ok 18140
179: ok 18141
179: ok 18142
179: ok 18143
179: ok 18144
179: ok 18145
179: ok 18146
179: ok 18147
179: ok 18148
179: ok 18149
179: ok 18150
179: ok 18151
179: ok 18152
179: ok 18153
179: ok 18154
179: ok 18155
179: ok 18156
179: ok 18157
179: ok 18158
179: ok 18159
179: ok 18160
179: ok 18161
179: ok 18162
179: ok 18163
179: ok 18164
179: ok 18165
179: ok 18166
179: ok 18167
179: ok 18168
179: ok 18169
179: ok 18170
179: ok 18171
179: ok 18172
179: ok 18173
179: ok 18174
179: ok 18175
179: ok 18176
179: ok 18177
179: ok 18178
179: ok 18179
179: ok 18180
179: ok 18181
179: ok 18182
179: ok 18183
179: ok 18184
179: ok 18185
179: ok 18186
179: ok 18187
179: ok 18188
179: ok 18189
179: ok 18190
179: ok 18191
179: ok 18192
179: ok 18193
179: ok 18194
179: ok 18195
179: ok 18196
179: ok 18197
179: ok 18198
179: ok 18199
179: ok 18200
179: ok 18201
179: ok 18202
179: ok 18203
179: ok 18204
179: ok 18205
179: ok 18206
179: ok 18207
179: ok 18208
179: ok 18209
179: ok 18210
179: ok 18211
179: ok 18212
179: ok 18213
179: ok 18214
179: ok 18215
179: ok 18216
179: ok 18217
179: ok 18218
179: ok 18219
179: ok 18220
179: ok 18221
179: ok 18222
179: ok 18223
179: ok 18224
179: ok 18225
179: ok 18226
179: ok 18227
179: ok 18228
179: ok 18229
179: ok 18230
179: ok 18231
179: ok 18232
179: ok 18233
179: ok 18234
179: ok 18235
179: ok 18236
179: ok 18237
179: ok 18238
179: ok 18239
179: ok 18240
179: ok 18241
179: ok 18242
179: ok 18243
179: ok 18244
179: ok 18245
179: ok 18246
179: ok 18247
179: ok 18248
179: ok 18249
179: ok 18250
179: ok 18251
179: ok 18252
179: ok 18253
179: ok 18254
179: ok 18255
179: ok 18256
179: ok 18257
179: ok 18258
179: ok 18259
179: ok 18260
179: ok 18261
179: ok 18262
179: ok 18263
179: ok 18264
179: ok 18265
179: ok 18266
179: ok 18267
179: ok 18268
179: ok 18269
179: ok 18270
179: ok 18271
179: ok 18272
179: ok 18273
179: ok 18274
179: ok 18275
179: ok 18276
179: ok 18277
179: ok 18278
179: ok 18279
179: ok 18280
179: ok 18281
179: ok 18282
179: ok 18283
179: ok 18284
179: ok 18285
179: ok 18286
179: ok 18287
179: ok 18288
179: ok 18289
179: ok 18290
179: ok 18291
179: ok 18292
179: ok 18293
179: ok 18294
179: ok 18295
179: ok 18296
179: ok 18297
179: ok 18298
179: ok 18299
179: ok 18300
179: ok 18301
179: ok 18302
179: ok 18303
179: ok 18304
179: ok 18305
179: ok 18306
179: ok 18307
179: ok 18308
179: ok 18309
179: ok 18310
179: ok 18311
179: ok 18312
179: ok 18313
179: ok 18314
179: ok 18315
179: ok 18316
179: ok 18317
179: ok 18318
179: ok 18319
179: ok 18320
179: ok 18321
179: ok 18322
179: ok 18323
179: ok 18324
179: ok 18325
179: ok 18326
179: ok 18327
179: ok 18328
179: ok 18329
179: ok 18330
179: ok 18331
179: ok 18332
179: ok 18333
179: ok 18334
179: ok 18335
179: ok 18336
179: ok 18337
179: ok 18338
179: ok 18339
179: ok 18340
179: ok 18341
179: ok 18342
179: ok 18343
179: ok 18344
179: ok 18345
179: ok 18346
179: ok 18347
179: ok 18348
179: ok 18349
179: ok 18350
179: ok 18351
179: ok 18352
179: ok 18353
179: ok 18354
179: ok 18355
179: ok 18356
179: ok 18357
179: ok 18358
179: ok 18359
179: ok 18360
179: ok 18361
179: ok 18362
179: ok 18363
179: ok 18364
179: ok 18365
179: ok 18366
179: ok 18367
179: ok 18368
179: ok 18369
179: ok 18370
179: ok 18371
179: ok 18372
179: ok 18373
179: ok 18374
179: ok 18375
179: ok 18376
179: ok 18377
179: ok 18378
179: ok 18379
179: ok 18380
179: ok 18381
179: ok 18382
179: ok 18383
179: ok 18384
179: ok 18385
179: ok 18386
179: ok 18387
179: ok 18388
179: ok 18389
179: ok 18390
179: ok 18391
179: ok 18392
179: ok 18393
179: ok 18394
179: ok 18395
179: ok 18396
179: ok 18397
179: ok 18398
179: ok 18399
179: ok 18400
179: ok 18401
179: ok 18402
179: ok 18403
179: ok 18404
179: ok 18405
179: ok 18406
179: ok 18407
179: ok 18408
179: ok 18409
179: ok 18410
179: ok 18411
179: ok 18412
179: ok 18413
179: ok 18414
179: ok 18415
179: ok 18416
179: ok 18417
179: ok 18418
179: ok 18419
179: ok 18420
179: ok 18421
179: ok 18422
179: ok 18423
179: ok 18424
179: ok 18425
179: ok 18426
179: ok 18427
179: ok 18428
179: ok 18429
179: ok 18430
179: ok 18431
179: ok 18432
179: ok 18433
179: ok 18434
179: ok 18435
179: ok 18436
179: ok 18437
179: ok 18438
179: ok 18439
179: ok 18440
179: ok 18441
179: ok 18442
179: ok 18443
179: ok 18444
179: ok 18445
179: ok 18446
179: ok 18447
179: ok 18448
179: ok 18449
179: ok 18450
179: ok 18451
179: ok 18452
179: ok 18453
179: ok 18454
179: ok 18455
179: ok 18456
179: ok 18457
179: ok 18458
179: ok 18459
179: ok 18460
179: ok 18461
179: ok 18462
179: ok 18463
179: ok 18464
179: ok 18465
179: ok 18466
179: ok 18467
179: ok 18468
179: ok 18469
179: ok 18470
179: ok 18471
179: ok 18472
179: ok 18473
179: ok 18474
179: ok 18475
179: ok 18476
179: ok 18477
179: ok 18478
179: ok 18479
179: ok 18480
179: ok 18481
179: ok 18482
179: ok 18483
179: ok 18484
179: ok 18485
179: ok 18486
179: ok 18487
179: ok 18488
179: ok 18489
179: ok 18490
179: ok 18491
179: ok 18492
179: ok 18493
179: ok 18494
179: ok 18495
179: ok 18496
179: ok 18497
179: ok 18498
179: ok 18499
179: ok 18500
179: ok 18501
179: ok 18502
179: ok 18503
179: ok 18504
179: ok 18505
179: ok 18506
179: ok 18507
179: ok 18508
179: ok 18509
179: ok 18510
179: ok 18511
179: ok 18512
179: ok 18513
179: ok 18514
179: ok 18515
179: ok 18516
179: ok 18517
179: ok 18518
179: ok 18519
179: ok 18520
179: ok 18521
179: ok 18522
179: ok 18523
179: ok 18524
179: ok 18525
179: ok 18526
179: ok 18527
179: ok 18528
179: ok 18529
179: ok 18530
179: ok 18531
179: ok 18532
179: ok 18533
179: ok 18534
179: ok 18535
179: ok 18536
179: ok 18537
179: ok 18538
179: ok 18539
179: ok 18540
179: ok 18541
179: ok 18542
179: ok 18543
179: ok 18544
179: ok 18545
179: ok 18546
179: ok 18547
179: ok 18548
179: ok 18549
179: ok 18550
179: ok 18551
179: ok 18552
179: ok 18553
179: ok 18554
179: ok 18555
179: ok 18556
179: ok 18557
179: ok 18558
179: ok 18559
179: ok 18560
179: ok 18561
179: ok 18562
179: ok 18563
179: ok 18564
179: ok 18565
179: ok 18566
179: ok 18567
179: ok 18568
179: ok 18569
179: ok 18570
179: ok 18571
179: ok 18572
179: ok 18573
179: ok 18574
179: ok 18575
179: ok 18576
179: ok 18577
179: ok 18578
179: ok 18579
179: ok 18580
179: ok 18581
179: ok 18582
179: ok 18583
179: ok 18584
179: ok 18585
179: ok 18586
179: ok 18587
179: ok 18588
179: ok 18589
179: ok 18590
179: ok 18591
179: ok 18592
179: ok 18593
179: ok 18594
179: ok 18595
179: ok 18596
179: ok 18597
179: ok 18598
179: ok 18599
179: ok 18600
179: ok 18601
179: ok 18602
179: ok 18603
179: ok 18604
179: ok 18605
179: ok 18606
179: ok 18607
179: ok 18608
179: ok 18609
179: ok 18610
179: ok 18611
179: ok 18612
179: ok 18613
179: ok 18614
179: ok 18615
179: ok 18616
179: ok 18617
179: ok 18618
179: ok 18619
179: ok 18620
179: ok 18621
179: ok 18622
179: ok 18623
179: ok 18624
179: ok 18625
179: ok 18626
179: ok 18627
179: ok 18628
179: ok 18629
179: ok 18630
179: ok 18631
179: ok 18632
179: ok 18633
179: ok 18634
179: ok 18635
179: ok 18636
179: ok 18637
179: ok 18638
179: ok 18639
179: ok 18640
179: ok 18641
179: ok 18642
179: ok 18643
179: ok 18644
179: ok 18645
179: ok 18646
179: ok 18647
179: ok 18648
179: ok 18649
179: ok 18650
179: ok 18651
179: ok 18652
179: ok 18653
179: ok 18654
179: ok 18655
179: ok 18656
179: ok 18657
179: ok 18658
179: ok 18659
179: ok 18660
179: ok 18661
179: ok 18662
179: ok 18663
179: ok 18664
179: ok 18665
179: ok 18666
179: ok 18667
179: ok 18668
179: ok 18669
179: ok 18670
179: ok 18671
179: ok 18672
179: ok 18673
179: ok 18674
179: ok 18675
179: ok 18676
179: ok 18677
179: ok 18678
179: ok 18679
179: ok 18680
179: ok 18681
179: ok 18682
179: ok 18683
179: ok 18684
179: ok 18685
179: ok 18686
179: ok 18687
179: ok 18688
179: ok 18689
179: ok 18690
179: ok 18691
179: ok 18692
179: ok 18693
179: ok 18694
179: ok 18695
179: ok 18696
179: ok 18697
179: ok 18698
179: ok 18699
179: ok 18700
179: ok 18701
179: ok 18702
179: ok 18703
179: ok 18704
179: ok 18705
179: ok 18706
179: ok 18707
179: ok 18708
179: ok 18709
179: ok 18710
179: ok 18711
179: ok 18712
179: ok 18713
179: ok 18714
179: ok 18715
179: ok 18716
179: ok 18717
179: ok 18718
179: ok 18719
179: ok 18720
179: ok 18721
179: ok 18722
179: ok 18723
179: ok 18724
179: ok 18725
179: ok 18726
179: ok 18727
179: ok 18728
179: ok 18729
179: ok 18730
179: ok 18731
179: ok 18732
179: ok 18733
179: ok 18734
179: ok 18735
179: ok 18736
179: ok 18737
179: ok 18738
179: ok 18739
179: ok 18740
179: ok 18741
179: ok 18742
179: ok 18743
179: ok 18744
179: ok 18745
179: ok 18746
179: ok 18747
179: ok 18748
179: ok 18749
179: ok 18750
179: ok 18751
179: ok 18752
179: ok 18753
179: ok 18754
179: ok 18755
179: ok 18756
179: ok 18757
179: ok 18758
179: ok 18759
179: ok 18760
179: ok 18761
179: ok 18762
179: ok 18763
179: ok 18764
179: ok 18765
179: ok 18766
179: ok 18767
179: ok 18768
179: ok 18769
179: ok 18770
179: ok 18771
179: ok 18772
179: ok 18773
179: ok 18774
179: ok 18775
179: ok 18776
179: ok 18777
179: ok 18778
179: ok 18779
179: ok 18780
179: ok 18781
179: ok 18782
179: ok 18783
179: ok 18784
179: ok 18785
179: ok 18786
179: ok 18787
179: ok 18788
179: ok 18789
179: ok 18790
179: ok 18791
179: ok 18792
179: ok 18793
179: ok 18794
179: ok 18795
179: ok 18796
179: ok 18797
179: ok 18798
179: ok 18799
179: ok 18800
179: ok 18801
179: ok 18802
179: ok 18803
179: ok 18804
179: ok 18805
179: ok 18806
179: ok 18807
179: ok 18808
179: ok 18809
179: ok 18810
179: ok 18811
179: ok 18812
179: ok 18813
179: ok 18814
179: ok 18815
179: ok 18816
179: ok 18817
179: ok 18818
179: ok 18819
179: ok 18820
179: ok 18821
179: ok 18822
179: ok 18823
179: ok 18824
179: ok 18825
179: ok 18826
179: ok 18827
179: ok 18828
179: ok 18829
179: ok 18830
179: ok 18831
179: ok 18832
179: ok 18833
179: ok 18834
179: ok 18835
179: ok 18836
179: ok 18837
179: ok 18838
179: ok 18839
179: ok 18840
179: ok 18841
179: ok 18842
179: ok 18843
179: ok 18844
179: ok 18845
179: ok 18846
179: ok 18847
179: ok 18848
179: ok 18849
179: ok 18850
179: ok 18851
179: ok 18852
179: ok 18853
179: ok 18854
179: ok 18855
179: ok 18856
179: ok 18857
179: ok 18858
179: ok 18859
179: ok 18860
179: ok 18861
179: ok 18862
179: ok 18863
179: ok 18864
179: ok 18865
179: ok 18866
179: ok 18867
179: ok 18868
179: ok 18869
179: ok 18870
179: ok 18871
179: ok 18872
179: ok 18873
179: ok 18874
179: ok 18875
179: ok 18876
179: ok 18877
179: ok 18878
179: ok 18879
179: ok 18880
179: ok 18881
179: ok 18882
179: ok 18883
179: ok 18884
179: ok 18885
179: ok 18886
179: ok 18887
179: ok 18888
179: ok 18889
179: ok 18890
179: ok 18891
179: ok 18892
179: ok 18893
179: ok 18894
179: ok 18895
179: ok 18896
179: ok 18897
179: ok 18898
179: ok 18899
179: ok 18900
179: ok 18901
179: ok 18902
179: ok 18903
179: ok 18904
179: ok 18905
179: ok 18906
179: ok 18907
179: ok 18908
179: ok 18909
179: ok 18910
179: ok 18911
179: ok 18912
179: ok 18913
179: ok 18914
179: ok 18915
179: ok 18916
179: ok 18917
179: ok 18918
179: ok 18919
179: ok 18920
179: ok 18921
179: ok 18922
179: ok 18923
179: ok 18924
179: ok 18925
179: ok 18926
179: ok 18927
179: ok 18928
179: ok 18929
179: ok 18930
179: ok 18931
179: ok 18932
179: ok 18933
179: ok 18934
179: ok 18935
179: ok 18936
179: ok 18937
179: ok 18938
179: ok 18939
179: ok 18940
179: ok 18941
179: ok 18942
179: ok 18943
179: ok 18944
179: ok 18945
179: ok 18946
179: ok 18947
179: ok 18948
179: ok 18949
179: ok 18950
179: ok 18951
179: ok 18952
179: ok 18953
179: ok 18954
179: ok 18955
179: ok 18956
179: ok 18957
179: ok 18958
179: ok 18959
179: ok 18960
179: ok 18961
179: ok 18962
179: ok 18963
179: ok 18964
179: ok 18965
179: ok 18966
179: ok 18967
179: ok 18968
179: ok 18969
179: ok 18970
179: ok 18971
179: ok 18972
179: ok 18973
179: ok 18974
179: ok 18975
179: ok 18976
179: ok 18977
179: ok 18978
179: ok 18979
179: ok 18980
179: ok 18981
179: ok 18982
179: ok 18983
179: ok 18984
179: ok 18985
179: ok 18986
179: ok 18987
179: ok 18988
179: ok 18989
179: ok 18990
179: ok 18991
179: ok 18992
179: ok 18993
179: ok 18994
179: ok 18995
179: ok 18996
179: ok 18997
179: ok 18998
179: ok 18999
179: ok 19000
179: ok 19001
179: ok 19002
179: ok 19003
179: ok 19004
179: ok 19005
179: ok 19006
179: ok 19007
179: ok 19008
179: ok 19009
179: ok 19010
179: ok 19011
179: ok 19012
179: ok 19013
179: ok 19014
179: ok 19015
179: ok 19016
179: ok 19017
179: ok 19018
179: ok 19019
179: ok 19020
179: ok 19021
179: ok 19022
179: ok 19023
179: ok 19024
179: ok 19025
179: ok 19026
179: ok 19027
179: ok 19028
179: ok 19029
179: ok 19030
179: ok 19031
179: ok 19032
179: ok 19033
179: ok 19034
179: ok 19035
179: ok 19036
179: ok 19037
179: ok 19038
179: ok 19039
179: ok 19040
179: ok 19041
179: ok 19042
179: ok 19043
179: ok 19044
179: ok 19045
179: ok 19046
179: ok 19047
179: ok 19048
179: ok 19049
179: ok 19050
179: ok 19051
179: ok 19052
179: ok 19053
179: ok 19054
179: ok 19055
179: ok 19056
179: ok 19057
179: ok 19058
179: ok 19059
179: ok 19060
179: ok 19061
179: ok 19062
179: ok 19063
179: ok 19064
179: ok 19065
179: ok 19066
179: ok 19067
179: ok 19068
179: ok 19069
179: ok 19070
179: ok 19071
179: ok 19072
179: ok 19073
179: ok 19074
179: ok 19075
179: ok 19076
179: ok 19077
179: ok 19078
179: ok 19079
179: ok 19080
179: ok 19081
179: ok 19082
179: ok 19083
179: ok 19084
179: ok 19085
179: ok 19086
179: ok 19087
179: ok 19088
179: ok 19089
179: ok 19090
179: ok 19091
179: ok 19092
179: ok 19093
179: ok 19094
179: ok 19095
179: ok 19096
179: ok 19097
179: ok 19098
179: ok 19099
179: ok 19100
179: ok 19101
179: ok 19102
179: ok 19103
179: ok 19104
179: ok 19105
179: ok 19106
179: ok 19107
179: ok 19108
179: ok 19109
179: ok 19110
179: ok 19111
179: ok 19112
179: ok 19113
179: ok 19114
179: ok 19115
179: ok 19116
179: ok 19117
179: ok 19118
179: ok 19119
179: ok 19120
179: ok 19121
179: ok 19122
179: ok 19123
179: ok 19124
179: ok 19125
179: ok 19126
179: ok 19127
179: ok 19128
179: ok 19129
179: ok 19130
179: ok 19131
179: ok 19132
179: ok 19133
179: ok 19134
179: ok 19135
179: ok 19136
179: ok 19137
179: ok 19138
179: ok 19139
179: ok 19140
179: ok 19141
179: ok 19142
179: ok 19143
179: ok 19144
179: ok 19145
179: ok 19146
179: ok 19147
179: ok 19148
179: ok 19149
179: ok 19150
179: ok 19151
179: ok 19152
179: ok 19153
179: ok 19154
179: ok 19155
179: ok 19156
179: ok 19157
179: ok 19158
179: ok 19159
179: ok 19160
179: ok 19161
179: ok 19162
179: ok 19163
179: ok 19164
179: ok 19165
179: ok 19166
179: ok 19167
179: ok 19168
179: ok 19169
179: ok 19170
179: ok 19171
179: ok 19172
179: ok 19173
179: ok 19174
179: ok 19175
179: ok 19176
179: ok 19177
179: ok 19178
179: ok 19179
179: ok 19180
179: ok 19181
179: ok 19182
179: ok 19183
179: ok 19184
179: ok 19185
179: ok 19186
179: ok 19187
179: ok 19188
179: ok 19189
179: ok 19190
179: ok 19191
179: ok 19192
179: ok 19193
179: ok 19194
179: ok 19195
179: ok 19196
179: ok 19197
179: ok 19198
179: ok 19199
179: ok 19200
179: ok 19201
179: ok 19202
179: ok 19203
179: ok 19204
179: ok 19205
179: ok 19206
179: ok 19207
179: ok 19208
179: ok 19209
179: ok 19210
179: ok 19211
179: ok 19212
179: ok 19213
179: ok 19214
179: ok 19215
179: ok 19216
179: ok 19217
179: ok 19218
179: ok 19219
179: ok 19220
179: ok 19221
179: ok 19222
179: ok 19223
179: ok 19224
179: ok 19225
179: ok 19226
179: ok 19227
179: ok 19228
179: ok 19229
179: ok 19230
179: ok 19231
179: ok 19232
179: ok 19233
179: ok 19234
179: ok 19235
179: ok 19236
179: ok 19237
179: ok 19238
179: ok 19239
179: ok 19240
179: ok 19241
179: ok 19242
179: ok 19243
179: ok 19244
179: ok 19245
179: ok 19246
179: ok 19247
179: ok 19248
179: ok 19249
179: ok 19250
179: ok 19251
179: ok 19252
179: ok 19253
179: ok 19254
179: ok 19255
179: ok 19256
179: ok 19257
179: ok 19258
179: ok 19259
179: ok 19260
179: ok 19261
179: ok 19262
179: ok 19263
179: ok 19264
179: ok 19265
179: ok 19266
179: ok 19267
179: ok 19268
179: ok 19269
179: ok 19270
179: ok 19271
179: ok 19272
179: ok 19273
179: ok 19274
179: ok 19275
179: ok 19276
179: ok 19277
179: ok 19278
179: ok 19279
179: ok 19280
179: ok 19281
179: ok 19282
179: ok 19283
179: ok 19284
179: ok 19285
179: ok 19286
179: ok 19287
179: ok 19288
179: ok 19289
179: ok 19290
179: ok 19291
179: ok 19292
179: ok 19293
179: ok 19294
179: ok 19295
179: ok 19296
179: ok 19297
179: ok 19298
179: ok 19299
179: ok 19300
179: ok 19301
179: ok 19302
179: ok 19303
179: ok 19304
179: ok 19305
179: ok 19306
179: ok 19307
179: ok 19308
179: ok 19309
179: ok 19310
179: ok 19311
179: ok 19312
179: ok 19313
179: ok 19314
179: ok 19315
179: ok 19316
179: ok 19317
179: ok 19318
179: ok 19319
179: ok 19320
179: ok 19321
179: ok 19322
179: ok 19323
179: ok 19324
179: ok 19325
179: ok 19326
179: ok 19327
179: ok 19328
179: ok 19329
179: ok 19330
179: ok 19331
179: ok 19332
179: ok 19333
179: ok 19334
179: ok 19335
179: ok 19336
179: ok 19337
179: ok 19338
179: ok 19339
179: ok 19340
179: ok 19341
179: ok 19342
179: ok 19343
179: ok 19344
179: ok 19345
179: ok 19346
179: ok 19347
179: ok 19348
179: ok 19349
179: ok 19350
179: ok 19351
179: ok 19352
179: ok 19353
179: ok 19354
179: ok 19355
179: ok 19356
179: ok 19357
179: ok 19358
179: ok 19359
179: ok 19360
179: ok 19361
179: ok 19362
179: ok 19363
179: ok 19364
179: ok 19365
179: ok 19366
179: ok 19367
179: ok 19368
179: ok 19369
179: ok 19370
179: ok 19371
179: ok 19372
179: ok 19373
179: ok 19374
179: ok 19375
179: ok 19376
179: ok 19377
179: ok 19378
179: ok 19379
179: ok 19380
179: ok 19381
179: ok 19382
179: ok 19383
179: ok 19384
179: ok 19385
179: ok 19386
179: ok 19387
179: ok 19388
179: ok 19389
179: ok 19390
179: ok 19391
179: ok 19392
179: ok 19393
179: ok 19394
179: ok 19395
179: ok 19396
179: ok 19397
179: ok 19398
179: ok 19399
179: ok 19400
179: ok 19401
179: ok 19402
179: ok 19403
179: ok 19404
179: ok 19405
179: ok 19406
179: ok 19407
179: ok 19408
179: ok 19409
179: ok 19410
179: ok 19411
179: ok 19412
179: ok 19413
179: ok 19414
179: ok 19415
179: ok 19416
179: ok 19417
179: ok 19418
179: ok 19419
179: ok 19420
179: ok 19421
179: ok 19422
179: ok 19423
179: ok 19424
179: ok 19425
179: ok 19426
179: ok 19427
179: ok 19428
179: ok 19429
179: ok 19430
179: ok 19431
179: ok 19432
179: ok 19433
179: ok 19434
179: ok 19435
179: ok 19436
179: ok 19437
179: ok 19438
179: ok 19439
179: ok 19440
179: ok 19441
179: ok 19442
179: ok 19443
179: ok 19444
179: ok 19445
179: ok 19446
179: ok 19447
179: ok 19448
179: ok 19449
179: ok 19450
179: ok 19451
179: ok 19452
179: ok 19453
179: ok 19454
179: ok 19455
179: ok 19456
179: ok 19457
179: ok 19458
179: ok 19459
179: ok 19460
179: ok 19461
179: ok 19462
179: ok 19463
179: ok 19464
179: ok 19465
179: ok 19466
179: ok 19467
179: ok 19468
179: ok 19469
179: ok 19470
179: ok 19471
179: ok 19472
179: ok 19473
179: ok 19474
179: ok 19475
179: ok 19476
179: ok 19477
179: ok 19478
179: ok 19479
179: ok 19480
179: ok 19481
179: ok 19482
179: ok 19483
179: ok 19484
179: ok 19485
179: ok 19486
179: ok 19487
179: ok 19488
179: ok 19489
179: ok 19490
179: ok 19491
179: ok 19492
179: ok 19493
179: ok 19494
179: ok 19495
179: ok 19496
179: ok 19497
179: ok 19498
179: ok 19499
179: ok 19500
179: ok 19501
179: ok 19502
179: ok 19503
179: ok 19504
179: ok 19505
179: ok 19506
179: ok 19507
179: ok 19508
179: ok 19509
179: ok 19510
179: ok 19511
179: ok 19512
179: ok 19513
179: ok 19514
179: ok 19515
179: ok 19516
179: ok 19517
179: ok 19518
179: ok 19519
179: ok 19520
179: ok 19521
179: ok 19522
179: ok 19523
179: ok 19524
179: ok 19525
179: ok 19526
179: ok 19527
179: ok 19528
179: ok 19529
179: ok 19530
179: ok 19531
179: ok 19532
179: ok 19533
179: ok 19534
179: ok 19535
179: ok 19536
179: ok 19537
179: ok 19538
179: ok 19539
179: ok 19540
179: ok 19541
179: ok 19542
179: ok 19543
179: ok 19544
179: ok 19545
179: ok 19546
179: ok 19547
179: ok 19548
179: ok 19549
179: ok 19550
179: ok 19551
179: ok 19552
179: ok 19553
179: ok 19554
179: ok 19555
179: ok 19556
179: ok 19557
179: ok 19558
179: ok 19559
179: ok 19560
179: ok 19561
179: ok 19562
179: ok 19563
179: ok 19564
179: ok 19565
179: ok 19566
179: ok 19567
179: ok 19568
179: ok 19569
179: ok 19570
179: ok 19571
179: ok 19572
179: ok 19573
179: ok 19574
179: ok 19575
179: ok 19576
179: ok 19577
179: ok 19578
179: ok 19579
179: ok 19580
179: ok 19581
179: ok 19582
179: ok 19583
179: ok 19584
179: ok 19585
179: ok 19586
179: ok 19587
179: ok 19588
179: ok 19589
179: ok 19590
179: ok 19591
179: ok 19592
179: ok 19593
179: ok 19594
179: ok 19595
179: ok 19596
179: ok 19597
179: ok 19598
179: ok 19599
179: ok 19600
179: ok 19601
179: ok 19602
179: ok 19603
179: ok 19604
179: ok 19605
179: ok 19606
179: ok 19607
179: ok 19608
179: ok 19609
179: ok 19610
179: ok 19611
179: ok 19612
179: ok 19613
179: ok 19614
179: ok 19615
179: ok 19616
179: ok 19617
179: ok 19618
179: ok 19619
179: ok 19620
179: ok 19621
179: ok 19622
179: ok 19623
179: ok 19624
179: ok 19625
179: ok 19626
179: ok 19627
179: ok 19628
179: ok 19629
179: ok 19630
179: ok 19631
179: ok 19632
179: ok 19633
179: ok 19634
179: ok 19635
179: ok 19636
179: ok 19637
179: ok 19638
179: ok 19639
179: ok 19640
179: ok 19641
179: ok 19642
179: ok 19643
179: ok 19644
179: ok 19645
179: ok 19646
179: ok 19647
179: ok 19648
179: ok 19649
179: ok 19650
179: ok 19651
179: ok 19652
179: ok 19653
179: ok 19654
179: ok 19655
179: ok 19656
179: ok 19657
179: ok 19658
179: ok 19659
179: ok 19660
179: ok 19661
179: ok 19662
179: ok 19663
179: ok 19664
179: ok 19665
179: ok 19666
179: ok 19667
179: ok 19668
179: ok 19669
179: ok 19670
179: ok 19671
179: ok 19672
179: ok 19673
179: ok 19674
179: ok 19675
179: ok 19676
179: ok 19677
179: ok 19678
179: ok 19679
179: ok 19680
179: ok 19681
179: ok 19682
179: ok 19683
179: ok 19684
179: ok 19685
179: ok 19686
179: ok 19687
179: ok 19688
179: ok 19689
179: ok 19690
179: ok 19691
179: ok 19692
179: ok 19693
179: ok 19694
179: ok 19695
179: ok 19696
179: ok 19697
179: ok 19698
179: ok 19699
179: ok 19700
179: ok 19701
179: ok 19702
179: ok 19703
179: ok 19704
179: ok 19705
179: ok 19706
179: ok 19707
179: ok 19708
179: ok 19709
179: ok 19710
179: ok 19711
179: ok 19712
179: ok 19713
179: ok 19714
179: ok 19715
179: ok 19716
179: ok 19717
179: ok 19718
179: ok 19719
179: ok 19720
179: ok 19721
179: ok 19722
179: ok 19723
179: ok 19724
179: ok 19725
179: ok 19726
179: ok 19727
179: ok 19728
179: ok 19729
179: ok 19730
179: ok 19731
179: ok 19732
179: ok 19733
179: ok 19734
179: ok 19735
179: ok 19736
179: ok 19737
179: ok 19738
179: ok 19739
179: ok 19740
179: ok 19741
179: ok 19742
179: ok 19743
179: ok 19744
179: ok 19745
179: ok 19746
179: ok 19747
179: ok 19748
179: ok 19749
179: ok 19750
179: ok 19751
179: ok 19752
179: ok 19753
179: ok 19754
179: ok 19755
179: ok 19756
179: ok 19757
179: ok 19758
179: ok 19759
179: ok 19760
179: ok 19761
179: ok 19762
179: ok 19763
179: ok 19764
179: ok 19765
179: ok 19766
179: ok 19767
179: ok 19768
179: ok 19769
179: ok 19770
179: ok 19771
179: ok 19772
179: ok 19773
179: ok 19774
179: ok 19775
179: ok 19776
179: ok 19777
179: ok 19778
179: ok 19779
179: ok 19780
179: ok 19781
179: ok 19782
179: ok 19783
179: ok 19784
179: ok 19785
179: ok 19786
179: ok 19787
179: ok 19788
179: ok 19789
179: ok 19790
179: ok 19791
179: ok 19792
179: ok 19793
179: ok 19794
179: ok 19795
179: ok 19796
179: ok 19797
179: ok 19798
179: ok 19799
179: ok 19800
179: ok 19801
179: ok 19802
179: ok 19803
179: ok 19804
179: ok 19805
179: ok 19806
179: ok 19807
179: ok 19808
179: ok 19809
179: ok 19810
179: ok 19811
179: ok 19812
179: ok 19813
179: ok 19814
179: ok 19815
179: ok 19816
179: ok 19817
179: ok 19818
179: ok 19819
179: ok 19820
179: ok 19821
179: ok 19822
179: ok 19823
179: ok 19824
179: ok 19825
179: ok 19826
179: ok 19827
179: ok 19828
179: ok 19829
179: ok 19830
179: ok 19831
179: ok 19832
179: ok 19833
179: ok 19834
179: ok 19835
179: ok 19836
179: ok 19837
179: ok 19838
179: ok 19839
179: ok 19840
179: ok 19841
179: ok 19842
179: ok 19843
179: ok 19844
179: ok 19845
179: ok 19846
179: ok 19847
179: ok 19848
179: ok 19849
179: ok 19850
179: ok 19851
179: ok 19852
179: ok 19853
179: ok 19854
179: ok 19855
179: ok 19856
179: ok 19857
179: ok 19858
179: ok 19859
179: ok 19860
179: ok 19861
179: ok 19862
179: ok 19863
179: ok 19864
179: ok 19865
179: ok 19866
179: ok 19867
179: ok 19868
179: ok 19869
179: ok 19870
179: ok 19871
179: ok 19872
179: ok 19873
179: ok 19874
179: ok 19875
179: ok 19876
179: ok 19877
179: ok 19878
179: ok 19879
179: ok 19880
179: ok 19881
179: ok 19882
179: ok 19883
179: ok 19884
179: ok 19885
179: ok 19886
179: ok 19887
179: ok 19888
179: ok 19889
179: ok 19890
179: ok 19891
179: ok 19892
179: ok 19893
179: ok 19894
179: ok 19895
179: ok 19896
179: ok 19897
179: ok 19898
179: ok 19899
179: ok 19900
179: ok 19901
179: ok 19902
179: ok 19903
179: ok 19904
179: ok 19905
179: ok 19906
179: ok 19907
179: ok 19908
179: ok 19909
179: ok 19910
179: ok 19911
179: ok 19912
179: ok 19913
179: ok 19914
179: ok 19915
179: ok 19916
179: ok 19917
179: ok 19918
179: ok 19919
179: ok 19920
179: ok 19921
179: ok 19922
179: ok 19923
179: ok 19924
179: ok 19925
179: ok 19926
179: ok 19927
179: ok 19928
179: ok 19929
179: ok 19930
179: ok 19931
179: ok 19932
179: ok 19933
179: ok 19934
179: ok 19935
179: ok 19936
179: ok 19937
179: ok 19938
179: ok 19939
179: ok 19940
179: ok 19941
179: ok 19942
179: ok 19943
179: ok 19944
179: ok 19945
179: ok 19946
179: ok 19947
179: ok 19948
179: ok 19949
179: ok 19950
179: ok 19951
179: ok 19952
179: ok 19953
179: ok 19954
179: ok 19955
179: ok 19956
179: ok 19957
179: ok 19958
179: ok 19959
179: ok 19960
179: ok 19961
179: ok 19962
179: ok 19963
179: ok 19964
179: ok 19965
179: ok 19966
179: ok 19967
179: ok 19968
179: ok 19969
179: ok 19970
179: ok 19971
179: ok 19972
179: ok 19973
179: ok 19974
179: ok 19975
179: ok 19976
179: ok 19977
179: ok 19978
179: ok 19979
179: ok 19980
179: ok 19981
179: ok 19982
179: ok 19983
179: ok 19984
179: ok 19985
179: ok 19986
179: ok 19987
179: ok 19988
179: ok 19989
179: ok 19990
179: ok 19991
179: ok 19992
179: ok 19993
179: ok 19994
179: ok 19995
179: ok 19996
179: ok 19997
179: ok 19998
179: ok 19999
179: ok 20000
179: ok 20001
179: ok 20002
179: ok 20003
179: ok 20004
179: ok 20005
179: ok 20006
179: ok 20007
179: ok 20008
179: ok 20009
179: ok 20010
179: ok 20011
179: ok 20012
179: ok 20013
179: ok 20014
179: ok 20015
179: ok 20016
179: ok 20017
179: ok 20018
179: ok 20019
179: ok 20020
179: ok 20021
179: ok 20022
179: ok 20023
179: ok 20024
179: ok 20025
179: ok 20026
179: ok 20027
179: ok 20028
179: ok 20029
179: ok 20030
179: ok 20031
179: ok 20032
179: ok 20033
179: ok 20034
179: ok 20035
179: ok 20036
179: ok 20037
179: ok 20038
179: ok 20039
179: ok 20040
179: ok 20041
179: ok 20042
179: ok 20043
179: ok 20044
179: ok 20045
179: ok 20046
179: ok 20047
179: ok 20048
179: ok 20049
179: ok 20050
179: ok 20051
179: ok 20052
179: ok 20053
179: ok 20054
179: ok 20055
179: ok 20056
179: ok 20057
179: ok 20058
179: ok 20059
179: ok 20060
179: ok 20061
179: ok 20062
179: ok 20063
179: ok 20064
179: ok 20065
179: ok 20066
179: ok 20067
179: ok 20068
179: ok 20069
179: ok 20070
179: ok 20071
179: ok 20072
179: ok 20073
179: ok 20074
179: ok 20075
179: ok 20076
179: ok 20077
179: ok 20078
179: ok 20079
179: ok 20080
179: ok 20081
179: ok 20082
179: ok 20083
179: ok 20084
179: ok 20085
179: ok 20086
179: ok 20087
179: ok 20088
179: ok 20089
179: ok 20090
179: ok 20091
179: ok 20092
179: ok 20093
179: ok 20094
179: ok 20095
179: ok 20096
179: ok 20097
179: ok 20098
179: ok 20099
179: ok 20100
179: ok 20101
179: ok 20102
179: ok 20103
179: ok 20104
179: ok 20105
179: ok 20106
179: ok 20107
179: ok 20108
179: ok 20109
179: ok 20110
179: ok 20111
179: ok 20112
179: ok 20113
179: ok 20114
179: ok 20115
179: ok 20116
179: ok 20117
179: ok 20118
179: ok 20119
179: ok 20120
179: ok 20121
179: ok 20122
179: ok 20123
179: ok 20124
179: ok 20125
179: ok 20126
179: ok 20127
179: ok 20128
179: ok 20129
179: ok 20130
179: ok 20131
179: ok 20132
179: ok 20133
179: ok 20134
179: ok 20135
179: ok 20136
179: ok 20137
179: ok 20138
179: ok 20139
179: ok 20140
179: ok 20141
179: ok 20142
179: ok 20143
179: ok 20144
179: ok 20145
179: ok 20146
179: ok 20147
179: ok 20148
179: ok 20149
179: ok 20150
179: ok 20151
179: ok 20152
179: ok 20153
179: ok 20154
179: ok 20155
179: ok 20156
179: ok 20157
179: ok 20158
179: ok 20159
179: ok 20160
179: ok 20161
179: ok 20162
179: ok 20163
179: ok 20164
179: ok 20165
179: ok 20166
179: ok 20167
179: ok 20168
179: ok 20169
179: ok 20170
179: ok 20171
179: ok 20172
179: ok 20173
179: ok 20174
179: ok 20175
179: ok 20176
179: ok 20177
179: ok 20178
179: ok 20179
179: ok 20180
179: ok 20181
179: ok 20182
179: ok 20183
179: ok 20184
179: ok 20185
179: ok 20186
179: ok 20187
179: ok 20188
179: ok 20189
179: ok 20190
179: ok 20191
179: ok 20192
179: ok 20193
179: ok 20194
179: ok 20195
179: ok 20196
179: ok 20197
179: ok 20198
179: ok 20199
179: ok 20200
179: ok 20201
179: ok 20202
179: ok 20203
179: ok 20204
179: ok 20205
179: ok 20206
179: ok 20207
179: ok 20208
179: ok 20209
179: ok 20210
179: ok 20211
179: ok 20212
179: ok 20213
179: ok 20214
179: ok 20215
179: ok 20216
179: ok 20217
179: ok 20218
179: ok 20219
179: ok 20220
179: ok 20221
179: ok 20222
179: ok 20223
179: ok 20224
179: ok 20225
179: ok 20226
179: ok 20227
179: ok 20228
179: ok 20229
179: ok 20230
179: ok 20231
179: ok 20232
179: ok 20233
179: ok 20234
179: ok 20235
179: ok 20236
179: ok 20237
179: ok 20238
179: ok 20239
179: ok 20240
179: ok 20241
179: ok 20242
179: ok 20243
179: ok 20244
179: ok 20245
179: ok 20246
179: ok 20247
179: ok 20248
179: ok 20249
179: ok 20250
179: ok 20251
179: ok 20252
179: ok 20253
179: ok 20254
179: ok 20255
179: ok 20256
179: ok 20257
179: ok 20258
179: ok 20259
179: ok 20260
179: ok 20261
179: ok 20262
179: ok 20263
179: ok 20264
179: ok 20265
179: ok 20266
179: ok 20267
179: ok 20268
179: ok 20269
179: ok 20270
179: ok 20271
179: ok 20272
179: ok 20273
179: ok 20274
179: ok 20275
179: ok 20276
179: ok 20277
179: ok 20278
179: ok 20279
179: ok 20280
179: ok 20281
179: ok 20282
179: ok 20283
179: ok 20284
179: ok 20285
179: ok 20286
179: ok 20287
179: ok 20288
179: ok 20289
179: ok 20290
179: ok 20291
179: ok 20292
179: ok 20293
179: ok 20294
179: ok 20295
179: ok 20296
179: ok 20297
179: ok 20298
179: ok 20299
179: ok 20300
179: ok 20301
179: ok 20302
179: ok 20303
179: ok 20304
179: ok 20305
179: ok 20306
179: ok 20307
179: ok 20308
179: ok 20309
179: ok 20310
179: ok 20311
179: ok 20312
179: ok 20313
179: ok 20314
179: ok 20315
179: ok 20316
179: ok 20317
179: ok 20318
179: ok 20319
179: ok 20320
179: ok 20321
179: ok 20322
179: ok 20323
179: ok 20324
179: ok 20325
179: ok 20326
179: ok 20327
179: ok 20328
179: ok 20329
179: ok 20330
179: ok 20331
179: ok 20332
179: ok 20333
179: ok 20334
179: ok 20335
179: ok 20336
179: ok 20337
179: ok 20338
179: ok 20339
179: ok 20340
179: ok 20341
179: ok 20342
179: ok 20343
179: ok 20344
179: ok 20345
179: ok 20346
179: ok 20347
179: ok 20348
179: ok 20349
179: ok 20350
179: ok 20351
179: ok 20352
179: ok 20353
179: ok 20354
179: ok 20355
179: ok 20356
179: ok 20357
179: ok 20358
179: ok 20359
179: ok 20360
179: ok 20361
179: ok 20362
179: ok 20363
179: ok 20364
179: ok 20365
179: ok 20366
179: ok 20367
179: ok 20368
179: ok 20369
179: ok 20370
179: ok 20371
179: ok 20372
179: ok 20373
179: ok 20374
179: ok 20375
179: ok 20376
179: ok 20377
179: ok 20378
179: ok 20379
179: ok 20380
179: ok 20381
179: ok 20382
179: ok 20383
179: ok 20384
179: ok 20385
179: ok 20386
179: ok 20387
179: ok 20388
179: ok 20389
179: ok 20390
179: ok 20391
179: ok 20392
179: ok 20393
179: ok 20394
179: ok 20395
179: ok 20396
179: ok 20397
179: ok 20398
179: ok 20399
179: ok 20400
179: ok 20401
179: ok 20402
179: ok 20403
179: ok 20404
179: ok 20405
179: ok 20406
179: ok 20407
179: ok 20408
179: ok 20409
179: ok 20410
179: ok 20411
179: ok 20412
179: ok 20413
179: ok 20414
179: ok 20415
179: ok 20416
179: ok 20417
179: ok 20418
179: ok 20419
179: ok 20420
179: ok 20421
179: ok 20422
179: ok 20423
179: ok 20424
179: ok 20425
179: ok 20426
179: ok 20427
179: ok 20428
179: ok 20429
179: ok 20430
179: ok 20431
179: ok 20432
179: ok 20433
179: ok 20434
179: ok 20435
179: ok 20436
179: ok 20437
179: ok 20438
179: ok 20439
179: ok 20440
179: ok 20441
179: ok 20442
179: ok 20443
179: ok 20444
179: ok 20445
179: ok 20446
179: ok 20447
179: ok 20448
179: ok 20449
179: ok 20450
179: ok 20451
179: ok 20452
179: ok 20453
179: ok 20454
179: ok 20455
179: ok 20456
179: ok 20457
179: ok 20458
179: ok 20459
179: ok 20460
179: ok 20461
179: ok 20462
179: ok 20463
179: ok 20464
179: ok 20465
179: ok 20466
179: ok 20467
179: ok 20468
179: ok 20469
179: ok 20470
179: ok 20471
179: ok 20472
179: ok 20473
179: ok 20474
179: ok 20475
179: ok 20476
179: ok 20477
179: ok 20478
179: ok 20479
179: ok 20480
179: ok 20481
179: ok 20482
179: ok 20483
179: ok 20484
179: ok 20485
179: ok 20486
179: ok 20487
179: ok 20488
179: ok 20489
179: ok 20490
179: ok 20491
179: ok 20492
179: ok 20493
179: ok 20494
179: ok 20495
179: ok 20496
179: ok 20497
179: ok 20498
179: ok 20499
179: ok 20500
179: ok 20501
179: ok 20502
179: ok 20503
179: ok 20504
179: ok 20505
179: ok 20506
179: ok 20507
179: ok 20508
179: ok 20509
179: ok 20510
179: ok 20511
179: ok 20512
179: ok 20513
179: ok 20514
179: ok 20515
179: ok 20516
179: ok 20517
179: ok 20518
179: ok 20519
179: ok 20520
179: ok 20521
179: ok 20522
179: ok 20523
179: ok 20524
179: ok 20525
179: ok 20526
179: ok 20527
179: ok 20528
179: ok 20529
179: ok 20530
179: ok 20531
179: ok 20532
179: ok 20533
179: ok 20534
179: ok 20535
179: ok 20536
179: ok 20537
179: ok 20538
179: ok 20539
179: ok 20540
179: ok 20541
179: ok 20542
179: ok 20543
179: ok 20544
179: ok 20545
179: ok 20546
179: ok 20547
179: ok 20548
179: ok 20549
179: ok 20550
179: ok 20551
179: ok 20552
179: ok 20553
179: ok 20554
179: ok 20555
179: ok 20556
179: ok 20557
179: ok 20558
179: ok 20559
179: ok 20560
179: ok 20561
179: ok 20562
179: ok 20563
179: ok 20564
179: ok 20565
179: ok 20566
179: ok 20567
179: ok 20568
179: ok 20569
179: ok 20570
179: ok 20571
179: ok 20572
179: ok 20573
179: ok 20574
179: ok 20575
179: ok 20576
179: ok 20577
179: ok 20578
179: ok 20579
179: ok 20580
179: ok 20581
179: ok 20582
179: ok 20583
179: ok 20584
179: ok 20585
179: ok 20586
179: ok 20587
179: ok 20588
179: ok 20589
179: ok 20590
179: ok 20591
179: ok 20592
179: ok 20593
179: ok 20594
179: ok 20595
179: ok 20596
179: ok 20597
179: ok 20598
179: ok 20599
179: ok 20600
179: ok 20601
179: ok 20602
179: ok 20603
179: ok 20604
179: ok 20605
179: ok 20606
179: ok 20607
179: ok 20608
179: ok 20609
179: ok 20610
179: ok 20611
179: ok 20612
179: ok 20613
179: ok 20614
179: ok 20615
179: ok 20616
179: ok 20617
179: ok 20618
179: ok 20619
179: ok 20620
179: ok 20621
179: ok 20622
179: ok 20623
179: ok 20624
179: ok 20625
179: ok 20626
179: ok 20627
179: ok 20628
179: ok 20629
179: ok 20630
179: ok 20631
179: ok 20632
179: ok 20633
179: ok 20634
179: ok 20635
179: ok 20636
179: ok 20637
179: ok 20638
179: ok 20639
179: ok 20640
179: ok 20641
179: ok 20642
179: ok 20643
179: ok 20644
179: ok 20645
179: ok 20646
179: ok 20647
179: ok 20648
179: ok 20649
179: ok 20650
179: ok 20651
179: ok 20652
179: ok 20653
179: ok 20654
179: ok 20655
179: ok 20656
179: ok 20657
179: ok 20658
179: ok 20659
179: ok 20660
179: ok 20661
179: ok 20662
179: ok 20663
179: ok 20664
179: ok 20665
179: ok 20666
179: ok 20667
179: ok 20668
179: ok 20669
179: ok 20670
179: ok 20671
179: ok 20672
179: ok 20673
179: ok 20674
179: ok 20675
179: ok 20676
179: ok 20677
179: ok 20678
179: ok 20679
179: ok 20680
179: ok 20681
179: ok 20682
179: ok 20683
179: ok 20684
179: ok 20685
179: ok 20686
179: ok 20687
179: ok 20688
179: ok 20689
179: ok 20690
179: ok 20691
179: ok 20692
179: ok 20693
179: ok 20694
179: ok 20695
179: ok 20696
179: ok 20697
179: ok 20698
179: ok 20699
179: ok 20700
179: ok 20701
179: ok 20702
179: ok 20703
179: ok 20704
179: ok 20705
179: ok 20706
179: ok 20707
179: ok 20708
179: ok 20709
179: ok 20710
179: ok 20711
179: ok 20712
179: ok 20713
179: ok 20714
179: ok 20715
179: ok 20716
179: ok 20717
179: ok 20718
179: ok 20719
179: ok 20720
179: ok 20721
179: ok 20722
179: ok 20723
179: ok 20724
179: ok 20725
179: ok 20726
179: ok 20727
179: ok 20728
179: ok 20729
179: ok 20730
179: ok 20731
179: ok 20732
179: ok 20733
179: ok 20734
179: ok 20735
179: ok 20736
179: ok 20737
179: ok 20738
179: ok 20739
179: ok 20740
179: ok 20741
179: ok 20742
179: ok 20743
179: ok 20744
179: ok 20745
179: ok 20746
179: ok 20747
179: ok 20748
179: ok 20749
179: ok 20750
179: ok 20751
179: ok 20752
179: ok 20753
179: ok 20754
179: ok 20755
179: ok 20756
179: ok 20757
179: ok 20758
179: ok 20759
179: ok 20760
179: ok 20761
179: ok 20762
179: ok 20763
179: ok 20764
179: ok 20765
179: ok 20766
179: ok 20767
179: ok 20768
179: ok 20769
179: ok 20770
179: ok 20771
179: ok 20772
179: ok 20773
179: ok 20774
179: ok 20775
179: ok 20776
179: ok 20777
179: ok 20778
179: ok 20779
179: ok 20780
179: ok 20781
179: ok 20782
179: ok 20783
179: ok 20784
179: ok 20785
179: ok 20786
179: ok 20787
179: ok 20788
179: ok 20789
179: ok 20790
179: ok 20791
179: ok 20792
179: ok 20793
179: ok 20794
179: ok 20795
179: ok 20796
179: ok 20797
179: ok 20798
179: ok 20799
179: ok 20800
179: ok 20801
179: ok 20802
179: ok 20803
179: ok 20804
179: ok 20805
179: ok 20806
179: ok 20807
179: ok 20808
179: ok 20809
179: ok 20810
179: ok 20811
179: ok 20812
179: ok 20813
179: ok 20814
179: ok 20815
179: ok 20816
179: ok 20817
179: ok 20818
179: ok 20819
179: ok 20820
179: ok 20821
179: ok 20822
179: ok 20823
179: ok 20824
179: ok 20825
179: ok 20826
179: ok 20827
179: ok 20828
179: ok 20829
179: ok 20830
179: ok 20831
179: ok 20832
179: ok 20833
179: ok 20834
179: ok 20835
179: ok 20836
179: ok 20837
179: ok 20838
179: ok 20839
179: ok 20840
179: ok 20841
179: ok 20842
179: ok 20843
179: ok 20844
179: ok 20845
179: ok 20846
179: ok 20847
179: ok 20848
179: ok 20849
179: ok 20850
179: ok 20851
179: ok 20852
179: ok 20853
179: ok 20854
179: ok 20855
179: ok 20856
179: ok 20857
179: ok 20858
179: ok 20859
179: ok 20860
179: ok 20861
179: ok 20862
179: ok 20863
179: ok 20864
179: ok 20865
179: ok 20866
179: ok 20867
179: ok 20868
179: ok 20869
179: ok 20870
179: ok 20871
179: ok 20872
179: ok 20873
179: ok 20874
179: ok 20875
179: ok 20876
179: ok 20877
179: ok 20878
179: ok 20879
179: ok 20880
179: ok 20881
179: ok 20882
179: ok 20883
179: ok 20884
179: ok 20885
179: ok 20886
179: ok 20887
179: ok 20888
179: ok 20889
179: ok 20890
179: ok 20891
179: ok 20892
179: ok 20893
179: ok 20894
179: ok 20895
179: ok 20896
179: ok 20897
179: ok 20898
179: ok 20899
179: ok 20900
179: ok 20901
179: ok 20902
179: ok 20903
179: ok 20904
179: ok 20905
179: ok 20906
179: ok 20907
179: ok 20908
179: ok 20909
179: ok 20910
179: ok 20911
179: ok 20912
179: ok 20913
179: ok 20914
179: ok 20915
179: ok 20916
179: ok 20917
179: ok 20918
179: ok 20919
179: ok 20920
179: ok 20921
179: ok 20922
179: ok 20923
179: ok 20924
179: ok 20925
179: ok 20926
179: ok 20927
179: ok 20928
179: ok 20929
179: ok 20930
179: ok 20931
179: ok 20932
179: ok 20933
179: ok 20934
179: ok 20935
179: ok 20936
179: ok 20937
179: ok 20938
179: ok 20939
179: ok 20940
179: ok 20941
179: ok 20942
179: ok 20943
179: ok 20944
179: ok 20945
179: ok 20946
179: ok 20947
179: ok 20948
179: ok 20949
179: ok 20950
179: ok 20951
179: ok 20952
179: ok 20953
179: ok 20954
179: ok 20955
179: ok 20956
179: ok 20957
179: ok 20958
179: ok 20959
179: ok 20960
179: ok 20961
179: ok 20962
179: ok 20963
179: ok 20964
179: ok 20965
179: ok 20966
179: ok 20967
179: ok 20968
179: ok 20969
179: ok 20970
179: ok 20971
179: ok 20972
179: ok 20973
179: ok 20974
179: ok 20975
179: ok 20976
179: ok 20977
179: ok 20978
179: ok 20979
179: ok 20980
179: ok 20981
179: ok 20982
179: ok 20983
179: ok 20984
179: ok 20985
179: ok 20986
179: ok 20987
179: ok 20988
179: ok 20989
179: ok 20990
179: ok 20991
179: ok 20992
179: ok 20993
179: ok 20994
179: ok 20995
179: ok 20996
179: ok 20997
179: ok 20998
179: ok 20999
179: ok 21000
179: ok 21001
179: ok 21002
179: ok 21003
179: ok 21004
179: ok 21005
179: ok 21006
179: ok 21007
179: ok 21008
179: ok 21009
179: ok 21010
179: ok 21011
179: ok 21012
179: ok 21013
179: ok 21014
179: ok 21015
179: ok 21016
179: ok 21017
179: ok 21018
179: ok 21019
179: ok 21020
179: ok 21021
179: ok 21022
179: ok 21023
179: ok 21024
179: ok 21025
179: ok 21026
179: ok 21027
179: ok 21028
179: ok 21029
179: ok 21030
179: ok 21031
179: ok 21032
179: ok 21033
179: ok 21034
179: ok 21035
179: ok 21036
179: ok 21037
179: ok 21038
179: ok 21039
179: ok 21040
179: ok 21041
179: ok 21042
179: ok 21043
179: ok 21044
179: ok 21045
179: ok 21046
179: ok 21047
179: ok 21048
179: ok 21049
179: ok 21050
179: ok 21051
179: ok 21052
179: ok 21053
179: ok 21054
179: ok 21055
179: ok 21056
179: ok 21057
179: ok 21058
179: ok 21059
179: ok 21060
179: ok 21061
179: ok 21062
179: ok 21063
179: ok 21064
179: ok 21065
179: ok 21066
179: ok 21067
179: ok 21068
179: ok 21069
179: ok 21070
179: ok 21071
179: ok 21072
179: ok 21073
179: ok 21074
179: ok 21075
179: ok 21076
179: ok 21077
179: ok 21078
179: ok 21079
179: ok 21080
179: ok 21081
179: ok 21082
179: ok 21083
179: ok 21084
179: ok 21085
179: ok 21086
179: ok 21087
179: ok 21088
179: ok 21089
179: ok 21090
179: ok 21091
179: ok 21092
179: ok 21093
179: ok 21094
179: ok 21095
179: ok 21096
179: ok 21097
179: ok 21098
179: ok 21099
179: ok 21100
179: ok 21101
179: ok 21102
179: ok 21103
179: ok 21104
179: ok 21105
179: ok 21106
179: ok 21107
179: ok 21108
179: ok 21109
179: ok 21110
179: ok 21111
179: ok 21112
179: ok 21113
179: ok 21114
179: ok 21115
179: ok 21116
179: ok 21117
179: ok 21118
179: ok 21119
179: ok 21120
179: ok 21121
179: ok 21122
179: ok 21123
179: ok 21124
179: ok 21125
179: ok 21126
179: ok 21127
179: ok 21128
179: ok 21129
179: ok 21130
179: ok 21131
179: ok 21132
179: ok 21133
179: ok 21134
179: ok 21135
179: ok 21136
179: ok 21137
179: ok 21138
179: ok 21139
179: ok 21140
179: ok 21141
179: ok 21142
179: ok 21143
179: ok 21144
179: ok 21145
179: ok 21146
179: ok 21147
179: ok 21148
179: ok 21149
179: ok 21150
179: ok 21151
179: ok 21152
179: ok 21153
179: ok 21154
179: ok 21155
179: ok 21156
179: ok 21157
179: ok 21158
179: ok 21159
179: ok 21160
179: ok 21161
179: ok 21162
179: ok 21163
179: ok 21164
179: ok 21165
179: ok 21166
179: ok 21167
179: ok 21168
179: ok 21169
179: ok 21170
179: ok 21171
179: ok 21172
179: ok 21173
179: ok 21174
179: ok 21175
179: ok 21176
179: ok 21177
179: ok 21178
179: ok 21179
179: ok 21180
179: ok 21181
179: ok 21182
179: ok 21183
179: ok 21184
179: ok 21185
179: ok 21186
179: ok 21187
179: ok 21188
179: ok 21189
179: ok 21190
179: ok 21191
179: ok 21192
179: ok 21193
179: ok 21194
179: ok 21195
179: ok 21196
179: ok 21197
179: ok 21198
179: ok 21199
179: ok 21200
179: ok 21201
179: ok 21202
179: ok 21203
179: ok 21204
179: ok 21205
179: ok 21206
179: ok 21207
179: ok 21208
179: ok 21209
179: ok 21210
179: ok 21211
179: ok 21212
179: ok 21213
179: ok 21214
179: ok 21215
179: ok 21216
179: ok 21217
179: ok 21218
179: ok 21219
179: ok 21220
179: ok 21221
179: ok 21222
179: ok 21223
179: ok 21224
179: ok 21225
179: ok 21226
179: ok 21227
179: ok 21228
179: ok 21229
179: ok 21230
179: ok 21231
179: ok 21232
179: ok 21233
179: ok 21234
179: ok 21235
179: ok 21236
179: ok 21237
179: ok 21238
179: ok 21239
179: ok 21240
179: ok 21241
179: ok 21242
179: ok 21243
179: ok 21244
179: ok 21245
179: ok 21246
179: ok 21247
179: ok 21248
179: ok 21249
179: ok 21250
179: ok 21251
179: ok 21252
179: ok 21253
179: ok 21254
179: ok 21255
179: ok 21256
179: ok 21257
179: ok 21258
179: ok 21259
179: ok 21260
179: ok 21261
179: ok 21262
179: ok 21263
179: ok 21264
179: ok 21265
179: ok 21266
179: ok 21267
179: ok 21268
179: ok 21269
179: ok 21270
179: ok 21271
179: ok 21272
179: ok 21273
179: ok 21274
179: ok 21275
179: ok 21276
179: ok 21277
179: ok 21278
179: ok 21279
179: ok 21280
179: ok 21281
179: ok 21282
179: ok 21283
179: ok 21284
179: ok 21285
179: ok 21286
179: ok 21287
179: ok 21288
179: ok 21289
179: ok 21290
179: ok 21291
179: ok 21292
179: ok 21293
179: ok 21294
179: ok 21295
179: ok 21296
179: ok 21297
179: ok 21298
179: ok 21299
179: ok 21300
179: ok 21301
179: ok 21302
179: ok 21303
179: ok 21304
179: ok 21305
179: ok 21306
179: ok 21307
179: ok 21308
179: ok 21309
179: ok 21310
179: ok 21311
179: ok 21312
179: ok 21313
179: ok 21314
179: ok 21315
179: ok 21316
179: ok 21317
179: ok 21318
179: ok 21319
179: ok 21320
179: ok 21321
179: ok 21322
179: ok 21323
179: ok 21324
179: ok 21325
179: ok 21326
179: ok 21327
179: ok 21328
179: ok 21329
179: ok 21330
179: ok 21331
179: ok 21332
179: ok 21333
179: ok 21334
179: ok 21335
179: ok 21336
179: ok 21337
179: ok 21338
179: ok 21339
179: ok 21340
179: ok 21341
179: ok 21342
179: ok 21343
179: ok 21344
179: ok 21345
179: ok 21346
179: ok 21347
179: ok 21348
179: ok 21349
179: ok 21350
179: ok 21351
179: ok 21352
179: ok 21353
179: ok 21354
179: ok 21355
179: ok 21356
179: ok 21357
179: ok 21358
179: ok 21359
179: ok 21360
179: ok 21361
179: ok 21362
179: ok 21363
179: ok 21364
179: ok 21365
179: ok 21366
179: ok 21367
179: ok 21368
179: ok 21369
179: ok 21370
179: ok 21371
179: ok 21372
179: ok 21373
179: ok 21374
179: ok 21375
179: ok 21376
179: ok 21377
179: ok 21378
179: ok 21379
179: ok 21380
179: ok 21381
179: ok 21382
179: ok 21383
179: ok 21384
179: ok 21385
179: ok 21386
179: ok 21387
179: ok 21388
179: ok 21389
179: ok 21390
179: ok 21391
179: ok 21392
179: ok 21393
179: ok 21394
179: ok 21395
179: ok 21396
179: ok 21397
179: ok 21398
179: ok 21399
179: ok 21400
179: ok 21401
179: ok 21402
179: ok 21403
179: ok 21404
179: ok 21405
179: ok 21406
179: ok 21407
179: ok 21408
179: ok 21409
179: ok 21410
179: ok 21411
179: ok 21412
179: ok 21413
179: ok 21414
179: ok 21415
179: ok 21416
179: ok 21417
179: ok 21418
179: ok 21419
179: ok 21420
179: ok 21421
179: ok 21422
179: ok 21423
179: ok 21424
179: ok 21425
179: ok 21426
179: ok 21427
179: ok 21428
179: ok 21429
179: ok 21430
179: ok 21431
179: ok 21432
179: ok 21433
179: ok 21434
179: ok 21435
179: ok 21436
179: ok 21437
179: ok 21438
179: ok 21439
179: ok 21440
179: ok 21441
179: ok 21442
179: ok 21443
179: ok 21444
179: ok 21445
179: ok 21446
179: ok 21447
179: ok 21448
179: ok 21449
179: ok 21450
179: ok 21451
179: ok 21452
179: ok 21453
179: ok 21454
179: ok 21455
179: ok 21456
179: ok 21457
179: ok 21458
179: ok 21459
179: ok 21460
179: ok 21461
179: ok 21462
179: ok 21463
179: ok 21464
179: ok 21465
179: ok 21466
179: ok 21467
179: ok 21468
179: ok 21469
179: ok 21470
179: ok 21471
179: ok 21472
179: ok 21473
179: ok 21474
179: ok 21475
179: ok 21476
179: ok 21477
179: ok 21478
179: ok 21479
179: ok 21480
179: ok 21481
179: ok 21482
179: ok 21483
179: ok 21484
179: ok 21485
179: ok 21486
179: ok 21487
179: ok 21488
179: ok 21489
179: ok 21490
179: ok 21491
179: ok 21492
179: ok 21493
179: ok 21494
179: ok 21495
179: ok 21496
179: ok 21497
179: ok 21498
179: ok 21499
179: ok 21500
179: ok 21501
179: ok 21502
179: ok 21503
179: ok 21504
179: ok 21505
179: ok 21506
179: ok 21507
179: ok 21508
179: ok 21509
179: ok 21510
179: ok 21511
179: ok 21512
179: ok 21513
179: ok 21514
179: ok 21515
179: ok 21516
179: ok 21517
179: ok 21518
179: ok 21519
179: ok 21520
179: ok 21521
179: ok 21522
179: ok 21523
179: ok 21524
179: ok 21525
179: ok 21526
179: ok 21527
179: ok 21528
179: ok 21529
179: ok 21530
179: ok 21531
179: ok 21532
179: ok 21533
179: ok 21534
179: ok 21535
179: ok 21536
179: ok 21537
179: ok 21538
179: ok 21539
179: ok 21540
179: ok 21541
179: ok 21542
179: ok 21543
179: ok 21544
179: ok 21545
179: ok 21546
179: ok 21547
179: ok 21548
179: ok 21549
179: ok 21550
179: ok 21551
179: ok 21552
179: ok 21553
179: ok 21554
179: ok 21555
179: ok 21556
179: ok 21557
179: ok 21558
179: ok 21559
179: ok 21560
179: ok 21561
179: ok 21562
179: ok 21563
179: ok 21564
179: ok 21565
179: ok 21566
179: ok 21567
179: ok 21568
179: ok 21569
179: ok 21570
179: ok 21571
179: ok 21572
179: ok 21573
179: ok 21574
179: ok 21575
179: ok 21576
179: ok 21577
179: ok 21578
179: ok 21579
179: ok 21580
179: ok 21581
179: ok 21582
179: ok 21583
179: ok 21584
179: ok 21585
179: ok 21586
179: ok 21587
179: ok 21588
179: ok 21589
179: ok 21590
179: ok 21591
179: ok 21592
179: ok 21593
179: ok 21594
179: ok 21595
179: ok 21596
179: ok 21597
179: ok 21598
179: ok 21599
179: ok 21600
179: ok 21601
179: ok 21602
179: ok 21603
179: ok 21604
179: ok 21605
179: ok 21606
179: ok 21607
179: ok 21608
179: ok 21609
179: ok 21610
179: ok 21611
179: ok 21612
179: ok 21613
179: ok 21614
179: ok 21615
179: ok 21616
179: ok 21617
179: ok 21618
179: ok 21619
179: ok 21620
179: ok 21621
179: ok 21622
179: ok 21623
179: ok 21624
179: ok 21625
179: ok 21626
179: ok 21627
179: ok 21628
179: ok 21629
179: ok 21630
179: ok 21631
179: ok 21632
179: ok 21633
179: ok 21634
179: ok 21635
179: ok 21636
179: ok 21637
179: ok 21638
179: ok 21639
179: ok 21640
179: ok 21641
179: ok 21642
179: ok 21643
179: ok 21644
179: ok 21645
179: ok 21646
179: ok 21647
179: ok 21648
179: ok 21649
179: ok 21650
179: ok 21651
179: ok 21652
179: ok 21653
179: ok 21654
179: ok 21655
179: ok 21656
179: ok 21657
179: ok 21658
179: ok 21659
179: ok 21660
179: ok 21661
179: ok 21662
179: ok 21663
179: ok 21664
179: ok 21665
179: ok 21666
179: ok 21667
179: ok 21668
179: ok 21669
179: ok 21670
179: ok 21671
179: ok 21672
179: ok 21673
179: ok 21674
179: ok 21675
179: ok 21676
179: ok 21677
179: ok 21678
179: ok 21679
179: ok 21680
179: ok 21681
179: ok 21682
179: ok 21683
179: ok 21684
179: ok 21685
179: ok 21686
179: ok 21687
179: ok 21688
179: ok 21689
179: ok 21690
179: ok 21691
179: ok 21692
179: ok 21693
179: ok 21694
179: ok 21695
179: ok 21696
179: ok 21697
179: ok 21698
179: ok 21699
179: ok 21700
179: ok 21701
179: ok 21702
179: ok 21703
179: ok 21704
179: ok 21705
179: ok 21706
179: ok 21707
179: ok 21708
179: ok 21709
179: ok 21710
179: ok 21711
179: ok 21712
179: ok 21713
179: ok 21714
179: ok 21715
179: ok 21716
179: ok 21717
179: ok 21718
179: ok 21719
179: ok 21720
179: ok 21721
179: ok 21722
179: ok 21723
179: ok 21724
179: ok 21725
179: ok 21726
179: ok 21727
179: ok 21728
179: ok 21729
179: ok 21730
179: ok 21731
179: ok 21732
179: ok 21733
179: ok 21734
179: ok 21735
179: ok 21736
179: ok 21737
179: ok 21738
179: ok 21739
179: ok 21740
179: ok 21741
179: ok 21742
179: ok 21743
179: ok 21744
179: ok 21745
179: ok 21746
179: ok 21747
179: ok 21748
179: ok 21749
179: ok 21750
179: ok 21751
179: ok 21752
179: ok 21753
179: ok 21754
179: ok 21755
179: ok 21756
179: ok 21757
179: ok 21758
179: ok 21759
179: ok 21760
179: ok 21761
179: ok 21762
179: ok 21763
179: ok 21764
179: ok 21765
179: ok 21766
179: ok 21767
179: ok 21768
179: ok 21769
179: ok 21770
179: ok 21771
179: ok 21772
179: ok 21773
179: ok 21774
179: ok 21775
179: ok 21776
179: ok 21777
179: ok 21778
179: ok 21779
179: ok 21780
179: ok 21781
179: ok 21782
179: ok 21783
179: ok 21784
179: ok 21785
179: ok 21786
179: ok 21787
179: ok 21788
179: ok 21789
179: ok 21790
179: ok 21791
179: ok 21792
179: ok 21793
179: ok 21794
179: ok 21795
179: ok 21796
179: ok 21797
179: ok 21798
179: ok 21799
179: ok 21800
179: ok 21801
179: ok 21802
179: ok 21803
179: ok 21804
179: ok 21805
179: ok 21806
179: ok 21807
179: ok 21808
179: ok 21809
179: ok 21810
179: ok 21811
179: ok 21812
179: ok 21813
179: ok 21814
179: ok 21815
179: ok 21816
179: ok 21817
179: ok 21818
179: ok 21819
179: ok 21820
179: ok 21821
179: ok 21822
179: ok 21823
179: ok 21824
179: ok 21825
179: ok 21826
179: ok 21827
179: ok 21828
179: ok 21829
179: ok 21830
179: ok 21831
179: ok 21832
179: ok 21833
179: ok 21834
179: ok 21835
179: ok 21836
179: ok 21837
179: ok 21838
179: ok 21839
179: ok 21840
179: ok 21841
179: ok 21842
179: ok 21843
179: ok 21844
179: ok 21845
179: ok 21846
179: ok 21847
179: ok 21848
179: ok 21849
179: ok 21850
179: ok 21851
179: ok 21852
179: ok 21853
179: ok 21854
179: ok 21855
179: ok 21856
179: ok 21857
179: ok 21858
179: ok 21859
179: ok 21860
179: ok 21861
179: ok 21862
179: ok 21863
179: ok 21864
179: ok 21865
179: ok 21866
179: ok 21867
179: ok 21868
179: ok 21869
179: ok 21870
179: ok 21871
179: ok 21872
179: ok 21873
179: ok 21874
179: ok 21875
179: ok 21876
179: ok 21877
179: ok 21878
179: ok 21879
179: ok 21880
179: ok 21881
179: ok 21882
179: ok 21883
179: ok 21884
179: ok 21885
179: ok 21886
179: ok 21887
179: ok 21888
179: ok 21889
179: ok 21890
179: ok 21891
179: ok 21892
179: ok 21893
179: ok 21894
179: ok 21895
179: ok 21896
179: ok 21897
179: ok 21898
179: ok 21899
179: ok 21900
179: ok 21901
179: ok 21902
179: ok 21903
179: ok 21904
179: ok 21905
179: ok 21906
179: ok 21907
179: ok 21908
179: ok 21909
179: ok 21910
179: ok 21911
179: ok 21912
179: ok 21913
179: ok 21914
179: ok 21915
179: ok 21916
179: ok 21917
179: ok 21918
179: ok 21919
179: ok 21920
179: ok 21921
179: ok 21922
179: ok 21923
179: ok 21924
179: ok 21925
179: ok 21926
179: ok 21927
179: ok 21928
179: ok 21929
179: ok 21930
179: ok 21931
179: ok 21932
179: ok 21933
179: ok 21934
179: ok 21935
179: ok 21936
179: ok 21937
179: ok 21938
179: ok 21939
179: ok 21940
179: ok 21941
179: ok 21942
179: ok 21943
179: ok 21944
179: ok 21945
179: ok 21946
179: ok 21947
179: ok 21948
179: ok 21949
179: ok 21950
179: ok 21951
179: ok 21952
179: ok 21953
179: ok 21954
179: ok 21955
179: ok 21956
179: ok 21957
179: ok 21958
179: ok 21959
179: ok 21960
179: ok 21961
179: ok 21962
179: ok 21963
179: ok 21964
179: ok 21965
179: ok 21966
179: ok 21967
179: ok 21968
179: ok 21969
179: ok 21970
179: ok 21971
179: ok 21972
179: ok 21973
179: ok 21974
179: ok 21975
179: ok 21976
179: ok 21977
179: ok 21978
179: ok 21979
179: ok 21980
179: ok 21981
179: ok 21982
179: ok 21983
179: ok 21984
179: ok 21985
179: ok 21986
179: ok 21987
179: ok 21988
179: ok 21989
179: ok 21990
179: ok 21991
179: ok 21992
179: ok 21993
179: ok 21994
179: ok 21995
179: ok 21996
179: ok 21997
179: ok 21998
179: ok 21999
179: ok 22000
179: ok 22001
179: ok 22002
179: ok 22003
179: ok 22004
179: ok 22005
179: ok 22006
179: ok 22007
179: ok 22008
179: ok 22009
179: ok 22010
179: ok 22011
179: ok 22012
179: ok 22013
179: ok 22014
179: ok 22015
179: ok 22016
179: ok 22017
179: ok 22018
179: ok 22019
179: ok 22020
179: ok 22021
179: ok 22022
179: ok 22023
179: ok 22024
179: ok 22025
179: ok 22026
179: ok 22027
179: ok 22028
179: ok 22029
179: ok 22030
179: ok 22031
179: ok 22032
179: ok 22033
179: ok 22034
179: ok 22035
179: ok 22036
179: ok 22037
179: ok 22038
179: ok 22039
179: ok 22040
179: ok 22041
179: ok 22042
179: ok 22043
179: ok 22044
179: ok 22045
179: ok 22046
179: ok 22047
179: ok 22048
179: ok 22049
179: ok 22050
179: ok 22051
179: ok 22052
179: ok 22053
179: ok 22054
179: ok 22055
179: ok 22056
179: ok 22057
179: ok 22058
179: ok 22059
179: ok 22060
179: ok 22061
179: ok 22062
179: ok 22063
179: ok 22064
179: ok 22065
179: ok 22066
179: ok 22067
179: ok 22068
179: ok 22069
179: ok 22070
179: ok 22071
179: ok 22072
179: ok 22073
179: ok 22074
179: ok 22075
179: ok 22076
179: ok 22077
179: ok 22078
179: ok 22079
179: ok 22080
179: ok 22081
179: ok 22082
179: ok 22083
179: ok 22084
179: ok 22085
179: ok 22086
179: ok 22087
179: ok 22088
179: ok 22089
179: ok 22090
179: ok 22091
179: ok 22092
179: ok 22093
179: ok 22094
179: ok 22095
179: ok 22096
179: ok 22097
179: ok 22098
179: ok 22099
179: ok 22100
179: ok 22101
179: ok 22102
179: ok 22103
179: ok 22104
179: ok 22105
179: ok 22106
179: ok 22107
179: ok 22108
179: ok 22109
179: ok 22110
179: ok 22111
179: ok 22112
179: ok 22113
179: ok 22114
179: ok 22115
179: ok 22116
179: ok 22117
179: ok 22118
179: ok 22119
179: ok 22120
179: ok 22121
179: ok 22122
179: ok 22123
179: ok 22124
179: ok 22125
179: ok 22126
179: ok 22127
179: ok 22128
179: ok 22129
179: ok 22130
179: ok 22131
179: ok 22132
179: ok 22133
179: ok 22134
179: ok 22135
179: ok 22136
179: ok 22137
179: ok 22138
179: ok 22139
179: ok 22140
179: ok 22141
179: ok 22142
179: ok 22143
179: ok 22144
179: ok 22145
179: ok 22146
179: ok 22147
179: ok 22148
179: ok 22149
179: ok 22150
179: ok 22151
179: ok 22152
179: ok 22153
179: ok 22154
179: ok 22155
179: ok 22156
179: ok 22157
179: ok 22158
179: ok 22159
179: ok 22160
179: ok 22161
179: ok 22162
179: ok 22163
179: ok 22164
179: ok 22165
179: ok 22166
179: ok 22167
179: ok 22168
179: ok 22169
179: ok 22170
179: ok 22171
179: ok 22172
179: ok 22173
179: ok 22174
179: ok 22175
179: ok 22176
179: ok 22177
179: ok 22178
179: ok 22179
179: ok 22180
179: ok 22181
179: ok 22182
179: ok 22183
179: ok 22184
179: ok 22185
179: ok 22186
179: ok 22187
179: ok 22188
179: ok 22189
179: ok 22190
179: ok 22191
179: ok 22192
179: ok 22193
179: ok 22194
179: ok 22195
179: ok 22196
179: ok 22197
179: ok 22198
179: ok 22199
179: ok 22200
179: ok 22201
179: ok 22202
179: ok 22203
179: ok 22204
179: ok 22205
179: ok 22206
179: ok 22207
179: ok 22208
179: ok 22209
179: ok 22210
179: ok 22211
179: ok 22212
179: ok 22213
179: ok 22214
179: ok 22215
179: ok 22216
179: ok 22217
179: ok 22218
179: ok 22219
179: ok 22220
179: ok 22221
179: ok 22222
179: ok 22223
179: ok 22224
179: ok 22225
179: ok 22226
179: ok 22227
179: ok 22228
179: ok 22229
179: ok 22230
179: ok 22231
179: ok 22232
179: ok 22233
179: ok 22234
179: ok 22235
179: ok 22236
179: ok 22237
179: ok 22238
179: ok 22239
179: ok 22240
179: ok 22241
179: ok 22242
179: ok 22243
179: ok 22244
179: ok 22245
179: ok 22246
179: ok 22247
179: ok 22248
179: ok 22249
179: ok 22250
179: ok 22251
179: ok 22252
179: ok 22253
179: ok 22254
179: ok 22255
179: ok 22256
179: ok 22257
179: ok 22258
179: ok 22259
179: ok 22260
179: ok 22261
179: ok 22262
179: ok 22263
179: ok 22264
179: ok 22265
179: ok 22266
179: ok 22267
179: ok 22268
179: ok 22269
179: ok 22270
179: ok 22271
179: ok 22272
179: ok 22273
179: ok 22274
179: ok 22275
179: ok 22276
179: ok 22277
179: ok 22278
179: ok 22279
179: ok 22280
179: ok 22281
179: ok 22282
179: ok 22283
179: ok 22284
179: ok 22285
179: ok 22286
179: ok 22287
179: ok 22288
179: ok 22289
179: ok 22290
179: ok 22291
179: ok 22292
179: ok 22293
179: ok 22294
179: ok 22295
179: ok 22296
179: ok 22297
179: ok 22298
179: ok 22299
179: ok 22300
179: ok 22301
179: ok 22302
179: ok 22303
179: ok 22304
179: ok 22305
179: ok 22306
179: ok 22307
179: ok 22308
179: ok 22309
179: ok 22310
179: ok 22311
179: ok 22312
179: ok 22313
179: ok 22314
179: ok 22315
179: ok 22316
179: ok 22317
179: ok 22318
179: ok 22319
179: ok 22320
179: ok 22321
179: ok 22322
179: ok 22323
179: ok 22324
179: ok 22325
179: ok 22326
179: ok 22327
179: ok 22328
179: ok 22329
179: ok 22330
179: ok 22331
179: ok 22332
179: ok 22333
179: ok 22334
179: ok 22335
179: ok 22336
179: ok 22337
179: ok 22338
179: ok 22339
179: ok 22340
179: ok 22341
179: ok 22342
179: ok 22343
179: ok 22344
179: ok 22345
179: ok 22346
179: ok 22347
179: ok 22348
179: ok 22349
179: ok 22350
179: ok 22351
179: ok 22352
179: ok 22353
179: ok 22354
179: ok 22355
179: ok 22356
179: ok 22357
179: ok 22358
179: ok 22359
179: ok 22360
179: ok 22361
179: ok 22362
179: ok 22363
179: ok 22364
179: ok 22365
179: ok 22366
179: ok 22367
179: ok 22368
179: ok 22369
179: ok 22370
179: ok 22371
179: ok 22372
179: ok 22373
179: ok 22374
179: ok 22375
179: ok 22376
179: ok 22377
179: ok 22378
179: ok 22379
179: ok 22380
179: ok 22381
179: ok 22382
179: ok 22383
179: ok 22384
179: ok 22385
179: ok 22386
179: ok 22387
179: ok 22388
179: ok 22389
179: ok 22390
179: ok 22391
179: ok 22392
179: ok 22393
179: ok 22394
179: ok 22395
179: ok 22396
179: ok 22397
179: ok 22398
179: ok 22399
179: ok 22400
179: ok 22401
179: ok 22402
179: ok 22403
179: ok 22404
179: ok 22405
179: ok 22406
179: ok 22407
179: ok 22408
179: ok 22409
179: ok 22410
179: ok 22411
179: ok 22412
179: ok 22413
179: ok 22414
179: ok 22415
179: ok 22416
179: ok 22417
179: ok 22418
179: ok 22419
179: ok 22420
179: ok 22421
179: ok 22422
179: ok 22423
179: ok 22424
179: ok 22425
179: ok 22426
179: ok 22427
179: ok 22428
179: ok 22429
179: ok 22430
179: ok 22431
179: ok 22432
179: ok 22433
179: ok 22434
179: ok 22435
179: ok 22436
179: ok 22437
179: ok 22438
179: ok 22439
179: ok 22440
179: ok 22441
179: ok 22442
179: ok 22443
179: ok 22444
179: ok 22445
179: ok 22446
179: ok 22447
179: ok 22448
179: ok 22449
179: ok 22450
179: ok 22451
179: ok 22452
179: ok 22453
179: ok 22454
179: ok 22455
179: ok 22456
179: ok 22457
179: ok 22458
179: ok 22459
179: ok 22460
179: ok 22461
179: ok 22462
179: ok 22463
179: ok 22464
179: ok 22465
179: ok 22466
179: ok 22467
179: ok 22468
179: ok 22469
179: ok 22470
179: ok 22471
179: ok 22472
179: ok 22473
179: ok 22474
179: ok 22475
179: ok 22476
179: ok 22477
179: ok 22478
179: ok 22479
179: ok 22480
179: ok 22481
179: ok 22482
179: ok 22483
179: ok 22484
179: ok 22485
179: ok 22486
179: ok 22487
179: ok 22488
179: ok 22489
179: ok 22490
179: ok 22491
179: ok 22492
179: ok 22493
179: ok 22494
179: ok 22495
179: ok 22496
179: ok 22497
179: ok 22498
179: ok 22499
179: ok 22500
179: ok 22501
179: ok 22502
179: ok 22503
179: ok 22504
179: ok 22505
179: ok 22506
179: ok 22507
179: ok 22508
179: ok 22509
179: ok 22510
179: ok 22511
179: ok 22512
179: ok 22513
179: ok 22514
179: ok 22515
179: ok 22516
179: ok 22517
179: ok 22518
179: ok 22519
179: ok 22520
179: ok 22521
179: ok 22522
179: ok 22523
179: ok 22524
179: ok 22525
179: ok 22526
179: ok 22527
179: ok 22528
179: ok 22529
179: ok 22530
179: ok 22531
179: ok 22532
179: ok 22533
179: ok 22534
179: ok 22535
179: ok 22536
179: ok 22537
179: ok 22538
179: ok 22539
179: ok 22540
179: ok 22541
179: ok 22542
179: ok 22543
179: ok 22544
179: ok 22545
179: ok 22546
179: ok 22547
179: ok 22548
179: ok 22549
179: ok 22550
179: ok 22551
179: ok 22552
179: ok 22553
179: ok 22554
179: ok 22555
179: ok 22556
179: ok 22557
179: ok 22558
179: ok 22559
179: ok 22560
179: ok 22561
179: ok 22562
179: ok 22563
179: ok 22564
179: ok 22565
179: ok 22566
179: ok 22567
179: ok 22568
179: ok 22569
179: ok 22570
179: ok 22571
179: ok 22572
179: ok 22573
179: ok 22574
179: ok 22575
179: ok 22576
179: ok 22577
179: ok 22578
179: ok 22579
179: ok 22580
179: ok 22581
179: ok 22582
179: ok 22583
179: ok 22584
179: ok 22585
179: ok 22586
179: ok 22587
179: ok 22588
179: ok 22589
179: ok 22590
179: ok 22591
179: ok 22592
179: ok 22593
179: ok 22594
179: ok 22595
179: ok 22596
179: ok 22597
179: ok 22598
179: ok 22599
179: ok 22600
179: ok 22601
179: ok 22602
179: ok 22603
179: ok 22604
179: ok 22605
179: ok 22606
179: ok 22607
179: ok 22608
179: ok 22609
179: ok 22610
179: ok 22611
179: ok 22612
179: ok 22613
179: ok 22614
179: ok 22615
179: ok 22616
179: ok 22617
179: ok 22618
179: ok 22619
179: ok 22620
179: ok 22621
179: ok 22622
179: ok 22623
179: ok 22624
179: ok 22625
179: ok 22626
179: ok 22627
179: ok 22628
179: ok 22629
179: ok 22630
179: ok 22631
179: ok 22632
179: ok 22633
179: ok 22634
179: ok 22635
179: ok 22636
179: ok 22637
179: ok 22638
179: ok 22639
179: ok 22640
179: ok 22641
179: ok 22642
179: ok 22643
179: ok 22644
179: ok 22645
179: ok 22646
179: ok 22647
179: ok 22648
179: ok 22649
179: ok 22650
179: ok 22651
179: ok 22652
179: ok 22653
179: ok 22654
179: ok 22655
179: ok 22656
179: ok 22657
179: ok 22658
179: ok 22659
179: ok 22660
179: ok 22661
179: ok 22662
179: ok 22663
179: ok 22664
179: ok 22665
179: ok 22666
179: ok 22667
179: ok 22668
179: ok 22669
179: ok 22670
179: ok 22671
179: ok 22672
179: ok 22673
179: ok 22674
179: ok 22675
179: ok 22676
179: ok 22677
179: ok 22678
179: ok 22679
179: ok 22680
179: ok 22681
179: ok 22682
179: ok 22683
179: ok 22684
179: ok 22685
179: ok 22686
179: ok 22687
179: ok 22688
179: ok 22689
179: ok 22690
179: ok 22691
179: ok 22692
179: ok 22693
179: ok 22694
179: ok 22695
179: ok 22696
179: ok 22697
179: ok 22698
179: ok 22699
179: ok 22700
179: ok 22701
179: ok 22702
179: ok 22703
179: ok 22704
179: ok 22705
179: ok 22706
179: ok 22707
179: ok 22708
179: ok 22709
179: ok 22710
179: ok 22711
179: ok 22712
179: ok 22713
179: ok 22714
179: ok 22715
179: ok 22716
179: ok 22717
179: ok 22718
179: ok 22719
179: ok 22720
179: ok 22721
179: ok 22722
179: ok 22723
179: ok 22724
179: ok 22725
179: ok 22726
179: ok 22727
179: ok 22728
179: ok 22729
179: ok 22730
179: ok 22731
179: ok 22732
179: ok 22733
179: ok 22734
179: ok 22735
179: ok 22736
179: ok 22737
179: ok 22738
179: ok 22739
179: ok 22740
179: ok 22741
179: ok 22742
179: ok 22743
179: ok 22744
179: ok 22745
179: ok 22746
179: ok 22747
179: ok 22748
179: ok 22749
179: ok 22750
179: ok 22751
179: ok 22752
179: ok 22753
179: ok 22754
179: ok 22755
179: ok 22756
179: ok 22757
179: ok 22758
179: ok 22759
179: ok 22760
179: ok 22761
179: ok 22762
179: ok 22763
179: ok 22764
179: ok 22765
179: ok 22766
179: ok 22767
179: ok 22768
179: ok 22769
179: ok 22770
179: ok 22771
179: ok 22772
179: ok 22773
179: ok 22774
179: ok 22775
179: ok 22776
179: ok 22777
179: ok 22778
179: ok 22779
179: ok 22780
179: ok 22781
179: ok 22782
179: ok 22783
179: ok 22784
179: ok 22785
179: ok 22786
179: ok 22787
179: ok 22788
179: ok 22789
179: ok 22790
179: ok 22791
179: ok 22792
179: ok 22793
179: ok 22794
179: ok 22795
179: ok 22796
179: ok 22797
179: ok 22798
179: ok 22799
179: ok 22800
179: ok 22801
179: ok 22802
179: ok 22803
179: ok 22804
179: ok 22805
179: ok 22806
179: ok 22807
179: ok 22808
179: ok 22809
179: ok 22810
179: ok 22811
179: ok 22812
179: ok 22813
179: ok 22814
179: ok 22815
179: ok 22816
179: ok 22817
179: ok 22818
179: ok 22819
179: ok 22820
179: ok 22821
179: ok 22822
179: ok 22823
179: ok 22824
179: ok 22825
179: ok 22826
179: ok 22827
179: ok 22828
179: ok 22829
179: ok 22830
179: ok 22831
179: ok 22832
179: ok 22833
179: ok 22834
179: ok 22835
179: ok 22836
179: ok 22837
179: ok 22838
179: ok 22839
179: ok 22840
179: ok 22841
179: ok 22842
179: ok 22843
179: ok 22844
179: ok 22845
179: ok 22846
179: ok 22847
179: ok 22848
179: ok 22849
179: ok 22850
179: ok 22851
179: ok 22852
179: ok 22853
179: ok 22854
179: ok 22855
179: ok 22856
179: ok 22857
179: ok 22858
179: ok 22859
179: ok 22860
179: ok 22861
179: ok 22862
179: ok 22863
179: ok 22864
179: ok 22865
179: ok 22866
179: ok 22867
179: ok 22868
179: ok 22869
179: ok 22870
179: ok 22871
179: ok 22872
179: ok 22873
179: ok 22874
179: ok 22875
179: ok 22876
179: ok 22877
179: ok 22878
179: ok 22879
179: ok 22880
179: ok 22881
179: ok 22882
179: ok 22883
179: ok 22884
179: ok 22885
179: ok 22886
179: ok 22887
179: ok 22888
179: ok 22889
179: ok 22890
179: ok 22891
179: ok 22892
179: ok 22893
179: ok 22894
179: ok 22895
179: ok 22896
179: ok 22897
179: ok 22898
179: ok 22899
179: ok 22900
179: ok 22901
179: ok 22902
179: ok 22903
179: ok 22904
179: ok 22905
179: ok 22906
179: ok 22907
179: ok 22908
179: ok 22909
179: ok 22910
179: ok 22911
179: ok 22912
179: ok 22913
179: ok 22914
179: ok 22915
179: ok 22916
179: ok 22917
179: ok 22918
179: ok 22919
179: ok 22920
179: ok 22921
179: ok 22922
179: ok 22923
179: ok 22924
179: ok 22925
179: ok 22926
179: ok 22927
179: ok 22928
179: ok 22929
179: ok 22930
179: ok 22931
179: ok 22932
179: ok 22933
179: ok 22934
179: ok 22935
179: ok 22936
179: ok 22937
179: ok 22938
179: ok 22939
179: ok 22940
179: ok 22941
179: ok 22942
179: ok 22943
179: ok 22944
179: ok 22945
179: ok 22946
179: ok 22947
179: ok 22948
179: ok 22949
179: ok 22950
179: ok 22951
179: ok 22952
179: ok 22953
179: ok 22954
179: ok 22955
179: ok 22956
179: ok 22957
179: ok 22958
179: ok 22959
179: ok 22960
179: ok 22961
179: ok 22962
179: ok 22963
179: ok 22964
179: ok 22965
179: ok 22966
179: ok 22967
179: ok 22968
179: ok 22969
179: ok 22970
179: ok 22971
179: ok 22972
179: ok 22973
179: ok 22974
179: ok 22975
179: ok 22976
179: ok 22977
179: ok 22978
179: ok 22979
179: ok 22980
179: ok 22981
179: ok 22982
179: ok 22983
179: ok 22984
179: ok 22985
179: ok 22986
179: ok 22987
179: ok 22988
179: ok 22989
179: ok 22990
179: ok 22991
179: ok 22992
179: ok 22993
179: ok 22994
179: ok 22995
179: ok 22996
179: ok 22997
179: ok 22998
179: ok 22999
179: ok 23000
179: ok 23001
179: ok 23002
179: ok 23003
179: ok 23004
179: ok 23005
179: ok 23006
179: ok 23007
179: ok 23008
179: ok 23009
179: ok 23010
179: ok 23011
179: ok 23012
179: ok 23013
179: ok 23014
179: ok 23015
179: ok 23016
179: ok 23017
179: ok 23018
179: ok 23019
179: ok 23020
179: ok 23021
179: ok 23022
179: ok 23023
179: ok 23024
179: ok 23025
179: ok 23026
179: ok 23027
179: ok 23028
179: ok 23029
179: ok 23030
179: ok 23031
179: ok 23032
179: ok 23033
179: ok 23034
179: ok 23035
179: ok 23036
179: ok 23037
179: ok 23038
179: ok 23039
179: ok 23040
179: ok 23041
179: ok 23042
179: ok 23043
179: ok 23044
179: ok 23045
179: ok 23046
179: ok 23047
179: ok 23048
179: ok 23049
179: ok 23050
179: ok 23051
179: ok 23052
179: ok 23053
179: ok 23054
179: ok 23055
179: ok 23056
179: ok 23057
179: ok 23058
179: ok 23059
179: ok 23060
179: ok 23061
179: ok 23062
179: ok 23063
179: ok 23064
179: ok 23065
179: ok 23066
179: ok 23067
179: ok 23068
179: ok 23069
179: ok 23070
179: ok 23071
179: ok 23072
179: ok 23073
179: ok 23074
179: ok 23075
179: ok 23076
179: ok 23077
179: ok 23078
179: ok 23079
179: ok 23080
179: ok 23081
179: ok 23082
179: ok 23083
179: ok 23084
179: ok 23085
179: ok 23086
179: ok 23087
179: ok 23088
179: ok 23089
179: ok 23090
179: ok 23091
179: ok 23092
179: ok 23093
179: ok 23094
179: ok 23095
179: ok 23096
179: ok 23097
179: ok 23098
179: ok 23099
179: ok 23100
179: ok 23101
179: ok 23102
179: ok 23103
179: ok 23104
179: ok 23105
179: ok 23106
179: ok 23107
179: ok 23108
179: ok 23109
179: ok 23110
179: ok 23111
179: ok 23112
179: ok 23113
179: ok 23114
179: ok 23115
179: ok 23116
179: ok 23117
179: ok 23118
179: ok 23119
179: ok 23120
179: ok 23121
179: ok 23122
179: ok 23123
179: ok 23124
179: ok 23125
179: ok 23126
179: ok 23127
179: ok 23128
179: ok 23129
179: ok 23130
179: ok 23131
179: ok 23132
179: ok 23133
179: ok 23134
179: ok 23135
179: ok 23136
179: ok 23137
179: ok 23138
179: ok 23139
179: ok 23140
179: ok 23141
179: ok 23142
179: ok 23143
179: ok 23144
179: ok 23145
179: ok 23146
179: ok 23147
179: ok 23148
179: ok 23149
179: ok 23150
179: ok 23151
179: ok 23152
179: ok 23153
179: ok 23154
179: ok 23155
179: ok 23156
179: ok 23157
179: ok 23158
179: ok 23159
179: ok 23160
179: ok 23161
179: ok 23162
179: ok 23163
179: ok 23164
179: ok 23165
179: ok 23166
179: ok 23167
179: ok 23168
179: ok 23169
179: ok 23170
179: ok 23171
179: ok 23172
179: ok 23173
179: ok 23174
179: ok 23175
179: ok 23176
179: ok 23177
179: ok 23178
179: ok 23179
179: ok 23180
179: ok 23181
179: ok 23182
179: ok 23183
179: ok 23184
179: ok 23185
179: ok 23186
179: ok 23187
179: ok 23188
179: ok 23189
179: ok 23190
179: ok 23191
179: ok 23192
179: ok 23193
179: ok 23194
179: ok 23195
179: ok 23196
179: ok 23197
179: ok 23198
179: ok 23199
179: ok 23200
179: ok 23201
179: ok 23202
179: ok 23203
179: ok 23204
179: ok 23205
179: ok 23206
179: ok 23207
179: ok 23208
179: ok 23209
179: ok 23210
179: ok 23211
179: ok 23212
179: ok 23213
179: ok 23214
179: ok 23215
179: ok 23216
179: ok 23217
179: ok 23218
179: ok 23219
179: ok 23220
179: ok 23221
179: ok 23222
179: ok 23223
179: ok 23224
179: ok 23225
179: ok 23226
179: ok 23227
179: ok 23228
179: ok 23229
179: ok 23230
179: ok 23231
179: ok 23232
179: ok 23233
179: ok 23234
179: ok 23235
179: ok 23236
179: ok 23237
179: ok 23238
179: ok 23239
179: ok 23240
179: ok 23241
179: ok 23242
179: ok 23243
179: ok 23244
179: ok 23245
179: ok 23246
179: ok 23247
179: ok 23248
179: ok 23249
179: ok 23250
179: ok 23251
179: ok 23252
179: ok 23253
179: ok 23254
179: ok 23255
179: ok 23256
179: ok 23257
179: ok 23258
179: ok 23259
179: ok 23260
179: ok 23261
179: ok 23262
179: ok 23263
179: ok 23264
179: ok 23265
179: ok 23266
179: ok 23267
179: ok 23268
179: ok 23269
179: ok 23270
179: ok 23271
179: ok 23272
179: ok 23273
179: ok 23274
179: ok 23275
179: ok 23276
179: ok 23277
179: ok 23278
179: ok 23279
179: ok 23280
179: ok 23281
179: ok 23282
179: ok 23283
179: ok 23284
179: ok 23285
179: ok 23286
179: ok 23287
179: ok 23288
179: ok 23289
179: ok 23290
179: ok 23291
179: ok 23292
179: ok 23293
179: ok 23294
179: ok 23295
179: ok 23296
179: ok 23297
179: ok 23298
179: ok 23299
179: ok 23300
179: ok 23301
179: ok 23302
179: ok 23303
179: ok 23304
179: ok 23305
179: ok 23306
179: ok 23307
179: ok 23308
179: ok 23309
179: ok 23310
179: ok 23311
179: ok 23312
179: ok 23313
179: ok 23314
179: ok 23315
179: ok 23316
179: ok 23317
179: ok 23318
179: ok 23319
179: ok 23320
179: ok 23321
179: ok 23322
179: ok 23323
179: ok 23324
179: ok 23325
179: ok 23326
179: ok 23327
179: ok 23328
179: ok 23329
179: ok 23330
179: ok 23331
179: ok 23332
179: ok 23333
179: ok 23334
179: ok 23335
179: ok 23336
179: ok 23337
179: ok 23338
179: ok 23339
179: ok 23340
179: ok 23341
179: ok 23342
179: ok 23343
179: ok 23344
179: ok 23345
179: ok 23346
179: ok 23347
179: ok 23348
179: ok 23349
179: ok 23350
179: ok 23351
179: ok 23352
179: ok 23353
179: ok 23354
179: ok 23355
179: ok 23356
179: ok 23357
179: ok 23358
179: ok 23359
179: ok 23360
179: ok 23361
179: ok 23362
179: ok 23363
179: ok 23364
179: ok 23365
179: ok 23366
179: ok 23367
179: ok 23368
179: ok 23369
179: ok 23370
179: ok 23371
179: ok 23372
179: ok 23373
179: ok 23374
179: ok 23375
179: ok 23376
179: ok 23377
179: ok 23378
179: ok 23379
179: ok 23380
179: ok 23381
179: ok 23382
179: ok 23383
179: ok 23384
179: ok 23385
179: ok 23386
179: ok 23387
179: ok 23388
179: ok 23389
179: ok 23390
179: ok 23391
179: ok 23392
179: ok 23393
179: ok 23394
179: ok 23395
179: ok 23396
179: ok 23397
179: ok 23398
179: ok 23399
179: ok 23400
179: ok 23401
179: ok 23402
179: ok 23403
179: ok 23404
179: ok 23405
179: ok 23406
179: ok 23407
179: ok 23408
179: ok 23409
179: ok 23410
179: ok 23411
179: ok 23412
179: ok 23413
179: ok 23414
179: ok 23415
179: ok 23416
179: ok 23417
179: ok 23418
179: ok 23419
179: ok 23420
179: ok 23421
179: ok 23422
179: ok 23423
179: ok 23424
179: ok 23425
179: ok 23426
179: ok 23427
179: ok 23428
179: ok 23429
179: ok 23430
179: ok 23431
179: ok 23432
179: ok 23433
179: ok 23434
179: ok 23435
179: ok 23436
179: ok 23437
179: ok 23438
179: ok 23439
179: ok 23440
179: ok 23441
179: ok 23442
179: ok 23443
179: ok 23444
179: ok 23445
179: ok 23446
179: ok 23447
179: ok 23448
179: ok 23449
179: ok 23450
179: ok 23451
179: ok 23452
179: ok 23453
179: ok 23454
179: ok 23455
179: ok 23456
179: ok 23457
179: ok 23458
179: ok 23459
179: ok 23460
179: ok 23461
179: ok 23462
179: ok 23463
179: ok 23464
179: ok 23465
179: ok 23466
179: ok 23467
179: ok 23468
179: ok 23469
179: ok 23470
179: ok 23471
179: ok 23472
179: ok 23473
179: ok 23474
179: ok 23475
179: ok 23476
179: ok 23477
179: ok 23478
179: ok 23479
179: ok 23480
179: ok 23481
179: ok 23482
179: ok 23483
179: ok 23484
179: ok 23485
179: ok 23486
179: ok 23487
179: ok 23488
179: ok 23489
179: ok 23490
179: ok 23491
179: ok 23492
179: ok 23493
179: ok 23494
179: ok 23495
179: ok 23496
179: ok 23497
179: ok 23498
179: ok 23499
179: ok 23500
179: ok 23501
179: ok 23502
179: ok 23503
179: ok 23504
179: ok 23505
179: ok 23506
179: ok 23507
179: ok 23508
179: ok 23509
179: ok 23510
179: ok 23511
179: ok 23512
179: ok 23513
179: ok 23514
179: ok 23515
179: ok 23516
179: ok 23517
179: ok 23518
179: ok 23519
179: ok 23520
179: ok 23521
179: ok 23522
179: ok 23523
179: ok 23524
179: ok 23525
179: ok 23526
179: ok 23527
179: ok 23528
179: ok 23529
179: ok 23530
179: ok 23531
179: ok 23532
179: ok 23533
179: ok 23534
179: ok 23535
179: ok 23536
179: ok 23537
179: ok 23538
179: ok 23539
179: ok 23540
179: ok 23541
179: ok 23542
179: ok 23543
179: ok 23544
179: ok 23545
179: ok 23546
179: ok 23547
179: ok 23548
179: ok 23549
179: ok 23550
179: ok 23551
179: ok 23552
179: ok 23553
179: ok 23554
179: ok 23555
179: ok 23556
179: ok 23557
179: ok 23558
179: ok 23559
179: ok 23560
179: ok 23561
179: ok 23562
179: ok 23563
179: ok 23564
179: ok 23565
179: ok 23566
179: ok 23567
179: ok 23568
179: ok 23569
179: ok 23570
179: ok 23571
179: ok 23572
179: ok 23573
179: ok 23574
179: ok 23575
179: ok 23576
179: ok 23577
179: ok 23578
179: ok 23579
179: ok 23580
179: ok 23581
179: ok 23582
179: ok 23583
179: ok 23584
179: ok 23585
179: ok 23586
179: ok 23587
179: ok 23588
179: ok 23589
179: ok 23590
179: ok 23591
179: ok 23592
179: ok 23593
179: ok 23594
179: ok 23595
179: ok 23596
179: ok 23597
179: ok 23598
179: ok 23599
179: ok 23600
179: ok 23601
179: ok 23602
179: ok 23603
179: ok 23604
179: ok 23605
179: ok 23606
179: ok 23607
179: ok 23608
179: ok 23609
179: ok 23610
179: ok 23611
179: ok 23612
179: ok 23613
179: ok 23614
179: ok 23615
179: ok 23616
179: ok 23617
179: ok 23618
179: ok 23619
179: ok 23620
179: ok 23621
179: ok 23622
179: ok 23623
179: ok 23624
179: ok 23625
179: ok 23626
179: ok 23627
179: ok 23628
179: ok 23629
179: ok 23630
179: ok 23631
179: ok 23632
179: ok 23633
179: ok 23634
179: ok 23635
179: ok 23636
179: ok 23637
179: ok 23638
179: ok 23639
179: ok 23640
179: ok 23641
179: ok 23642
179: ok 23643
179: ok 23644
179: ok 23645
179: ok 23646
179: ok 23647
179: ok 23648
179: ok 23649
179: ok 23650
179: ok 23651
179: ok 23652
179: ok 23653
179: ok 23654
179: ok 23655
179: ok 23656
179: ok 23657
179: ok 23658
179: ok 23659
179: ok 23660
179: ok 23661
179: ok 23662
179: ok 23663
179: ok 23664
179: ok 23665
179: ok 23666
179: ok 23667
179: ok 23668
179: ok 23669
179: ok 23670
179: ok 23671
179: ok 23672
179: ok 23673
179: ok 23674
179: ok 23675
179: ok 23676
179: ok 23677
179: ok 23678
179: ok 23679
179: ok 23680
179: ok 23681
179: ok 23682
179: ok 23683
179: ok 23684
179: ok 23685
179: ok 23686
179: ok 23687
179: ok 23688
179: ok 23689
179: ok 23690
179: ok 23691
179: ok 23692
179: ok 23693
179: ok 23694
179: ok 23695
179: ok 23696
179: ok 23697
179: ok 23698
179: ok 23699
179: ok 23700
179: ok 23701
179: ok 23702
179: ok 23703
179: ok 23704
179: ok 23705
179: ok 23706
179: ok 23707
179: ok 23708
179: ok 23709
179: ok 23710
179: ok 23711
179: ok 23712
179: ok 23713
179: ok 23714
179: ok 23715
179: ok 23716
179: ok 23717
179: ok 23718
179: ok 23719
179: ok 23720
179: ok 23721
179: ok 23722
179: ok 23723
179: ok 23724
179: ok 23725
179: ok 23726
179: ok 23727
179: ok 23728
179: ok 23729
179: ok 23730
179: ok 23731
179: ok 23732
179: ok 23733
179: ok 23734
179: ok 23735
179: ok 23736
179: ok 23737
179: ok 23738
179: ok 23739
179: ok 23740
179: ok 23741
179: ok 23742
179: ok 23743
179: ok 23744
179: ok 23745
179: ok 23746
179: ok 23747
179: ok 23748
179: ok 23749
179: ok 23750
179: ok 23751
179: ok 23752
179: ok 23753
179: ok 23754
179: ok 23755
179: ok 23756
179: ok 23757
179: ok 23758
179: ok 23759
179: ok 23760
179: ok 23761
179: ok 23762
179: ok 23763
179: ok 23764
179: ok 23765
179: ok 23766
179: ok 23767
179: ok 23768
179: ok 23769
179: ok 23770
179: ok 23771
179: ok 23772
179: ok 23773
179: ok 23774
179: ok 23775
179: ok 23776
179: ok 23777
179: ok 23778
179: ok 23779
179: ok 23780
179: ok 23781
179: ok 23782
179: ok 23783
179: ok 23784
179: ok 23785
179: ok 23786
179: ok 23787
179: ok 23788
179: ok 23789
179: ok 23790
179: ok 23791
179: ok 23792
179: ok 23793
179: ok 23794
179: ok 23795
179: ok 23796
179: ok 23797
179: ok 23798
179: ok 23799
179: ok 23800
179: ok 23801
179: ok 23802
179: ok 23803
179: ok 23804
179: ok 23805
179: ok 23806
179: ok 23807
179: ok 23808
179: ok 23809
179: ok 23810
179: ok 23811
179: ok 23812
179: ok 23813
179: ok 23814
179: ok 23815
179: ok 23816
179: ok 23817
179: ok 23818
179: ok 23819
179: ok 23820
179: ok 23821
179: ok 23822
179: ok 23823
179: ok 23824
179: ok 23825
179: ok 23826
179: ok 23827
179: ok 23828
179: ok 23829
179: ok 23830
179: ok 23831
179: ok 23832
179: ok 23833
179: ok 23834
179: ok 23835
179: ok 23836
179: ok 23837
179: ok 23838
179: ok 23839
179: ok 23840
179: ok 23841
179: ok 23842
179: ok 23843
179: ok 23844
179: ok 23845
179: ok 23846
179: ok 23847
179: ok 23848
179: ok 23849
179: ok 23850
179: ok 23851
179: ok 23852
179: ok 23853
179: ok 23854
179: ok 23855
179: ok 23856
179: ok 23857
179: ok 23858
179: ok 23859
179: ok 23860
179: ok 23861
179: ok 23862
179: ok 23863
179: ok 23864
179: ok 23865
179: ok 23866
179: ok 23867
179: ok 23868
179: ok 23869
179: ok 23870
179: ok 23871
179: ok 23872
179: ok 23873
179: ok 23874
179: ok 23875
179: ok 23876
179: ok 23877
179: ok 23878
179: ok 23879
179: ok 23880
179: ok 23881
179: ok 23882
179: ok 23883
179: ok 23884
179: ok 23885
179: ok 23886
179: ok 23887
179: ok 23888
179: ok 23889
179: ok 23890
179: ok 23891
179: ok 23892
179: ok 23893
179: ok 23894
179: ok 23895
179: ok 23896
179: ok 23897
179: ok 23898
179: ok 23899
179: ok 23900
179: ok 23901
179: ok 23902
179: ok 23903
179: ok 23904
179: ok 23905
179: ok 23906
179: ok 23907
179: ok 23908
179: ok 23909
179: ok 23910
179: ok 23911
179: ok 23912
179: ok 23913
179: ok 23914
179: ok 23915
179: ok 23916
179: ok 23917
179: ok 23918
179: ok 23919
179: ok 23920
179: ok 23921
179: ok 23922
179: ok 23923
179: ok 23924
179: ok 23925
179: ok 23926
179: ok 23927
179: ok 23928
179: ok 23929
179: ok 23930
179: ok 23931
179: ok 23932
179: ok 23933
179: ok 23934
179: ok 23935
179: ok 23936
179: ok 23937
179: ok 23938
179: ok 23939
179: ok 23940
179: ok 23941
179: ok 23942
179: ok 23943
179: ok 23944
179: ok 23945
179: ok 23946
179: ok 23947
179: ok 23948
179: ok 23949
179: ok 23950
179: ok 23951
179: ok 23952
179: ok 23953
179: ok 23954
179: ok 23955
179: ok 23956
179: ok 23957
179: ok 23958
179: ok 23959
179: ok 23960
179: ok 23961
179: ok 23962
179: ok 23963
179: ok 23964
179: ok 23965
179: ok 23966
179: ok 23967
179: ok 23968
179: ok 23969
179: ok 23970
179: ok 23971
179: ok 23972
179: ok 23973
179: ok 23974
179: ok 23975
179: ok 23976
179: ok 23977
179: ok 23978
179: ok 23979
179: ok 23980
179: ok 23981
179: ok 23982
179: ok 23983
179: ok 23984
179: ok 23985
179: ok 23986
179: ok 23987
179: ok 23988
179: ok 23989
179: ok 23990
179: ok 23991
179: ok 23992
179: ok 23993
179: ok 23994
179: ok 23995
179: ok 23996
179: ok 23997
179: ok 23998
179: ok 23999
179: ok 24000
179: ok 24001
179: ok 24002
179: ok 24003
179: ok 24004
179: ok 24005
179: ok 24006
179: ok 24007
179: ok 24008
179: ok 24009
179: ok 24010
179: ok 24011
179: ok 24012
179: ok 24013
179: ok 24014
179: ok 24015
179: ok 24016
179: ok 24017
179: ok 24018
179: ok 24019
179: ok 24020
179: ok 24021
179: ok 24022
179: ok 24023
179: ok 24024
179: ok 24025
179: ok 24026
179: ok 24027
179: ok 24028
179: ok 24029
179: ok 24030
179: ok 24031
179: ok 24032
179: ok 24033
179: ok 24034
179: ok 24035
179: ok 24036
179: ok 24037
179: ok 24038
179: ok 24039
179: ok 24040
179: ok 24041
179: ok 24042
179: ok 24043
179: ok 24044
179: ok 24045
179: ok 24046
179: ok 24047
179: ok 24048
179: ok 24049
179: ok 24050
179: ok 24051
179: ok 24052
179: ok 24053
179: ok 24054
179: ok 24055
179: ok 24056
179: ok 24057
179: ok 24058
179: ok 24059
179: ok 24060
179: ok 24061
179: ok 24062
179: ok 24063
179: ok 24064
179: ok 24065
179: ok 24066
179: ok 24067
179: ok 24068
179: ok 24069
179: ok 24070
179: ok 24071
179: ok 24072
179: ok 24073
179: ok 24074
179: ok 24075
179: ok 24076
179: ok 24077
179: ok 24078
179: ok 24079
179: ok 24080
179: ok 24081
179: ok 24082
179: ok 24083
179: ok 24084
179: ok 24085
179: ok 24086
179: ok 24087
179: ok 24088
179: ok 24089
179: ok 24090
179: ok 24091
179: ok 24092
179: ok 24093
179: ok 24094
179: ok 24095
179: ok 24096
179: ok 24097
179: ok 24098
179: ok 24099
179: ok 24100
179: ok 24101
179: ok 24102
179: ok 24103
179: ok 24104
179: ok 24105
179: ok 24106
179: ok 24107
179: ok 24108
179: ok 24109
179: ok 24110
179: ok 24111
179: ok 24112
179: ok 24113
179: ok 24114
179: ok 24115
179: ok 24116
179: ok 24117
179: ok 24118
179: ok 24119
179: ok 24120
179: ok 24121
179: ok 24122
179: ok 24123
179: ok 24124
179: ok 24125
179: ok 24126
179: ok 24127
179: ok 24128
179: ok 24129
179: ok 24130
179: ok 24131
179: ok 24132
179: ok 24133
179: ok 24134
179: ok 24135
179: ok 24136
179: ok 24137
179: ok 24138
179: ok 24139
179: ok 24140
179: ok 24141
179: ok 24142
179: ok 24143
179: ok 24144
179: ok 24145
179: ok 24146
179: ok 24147
179: ok 24148
179: ok 24149
179: ok 24150
179: ok 24151
179: ok 24152
179: ok 24153
179: ok 24154
179: ok 24155
179: ok 24156
179: ok 24157
179: ok 24158
179: ok 24159
179: ok 24160
179: ok 24161
179: ok 24162
179: ok 24163
179: ok 24164
179: ok 24165
179: ok 24166
179: ok 24167
179: ok 24168
179: ok 24169
179: ok 24170
179: ok 24171
179: ok 24172
179: ok 24173
179: ok 24174
179: ok 24175
179: ok 24176
179: ok 24177
179: ok 24178
179: ok 24179
179: ok 24180
179: ok 24181
179: ok 24182
179: ok 24183
179: ok 24184
179: ok 24185
179: ok 24186
179: ok 24187
179: ok 24188
179: ok 24189
179: ok 24190
179: ok 24191
179: ok 24192
179: ok 24193
179: ok 24194
179: ok 24195
179: ok 24196
179: ok 24197
179: ok 24198
179: ok 24199
179: ok 24200
179: ok 24201
179: ok 24202
179: ok 24203
179: ok 24204
179: ok 24205
179: ok 24206
179: ok 24207
179: ok 24208
179: ok 24209
179: ok 24210
179: ok 24211
179: ok 24212
179: ok 24213
179: ok 24214
179: ok 24215
179: ok 24216
179: ok 24217
179: ok 24218
179: ok 24219
179: ok 24220
179: ok 24221
179: ok 24222
179: ok 24223
179: ok 24224
179: ok 24225
179: ok 24226
179: ok 24227
179: ok 24228
179: ok 24229
179: ok 24230
179: ok 24231
179: ok 24232
179: ok 24233
179: ok 24234
179: ok 24235
179: ok 24236
179: ok 24237
179: ok 24238
179: ok 24239
179: ok 24240
179: ok 24241
179: ok 24242
179: ok 24243
179: ok 24244
179: ok 24245
179: ok 24246
179: ok 24247
179: ok 24248
179: ok 24249
179: ok 24250
179: ok 24251
179: ok 24252
179: ok 24253
179: ok 24254
179: ok 24255
179: ok 24256
179: ok 24257
179: ok 24258
179: ok 24259
179: ok 24260
179: ok 24261
179: ok 24262
179: ok 24263
179: ok 24264
179: ok 24265
179: ok 24266
179: ok 24267
179: ok 24268
179: ok 24269
179: ok 24270
179: ok 24271
179: ok 24272
179: ok 24273
179: ok 24274
179: ok 24275
179: ok 24276
179: ok 24277
179: ok 24278
179: ok 24279
179: ok 24280
179: ok 24281
179: ok 24282
179: ok 24283
179: ok 24284
179: ok 24285
179: ok 24286
179: ok 24287
179: ok 24288
179: ok 24289
179: ok 24290
179: ok 24291
179: ok 24292
179: ok 24293
179: ok 24294
179: ok 24295
179: ok 24296
179: ok 24297
179: ok 24298
179: ok 24299
179: ok 24300
179: ok 24301
179: ok 24302
179: ok 24303
179: ok 24304
179: ok 24305
179: ok 24306
179: ok 24307
179: ok 24308
179: ok 24309
179: ok 24310
179: ok 24311
179: ok 24312
179: ok 24313
179: ok 24314
179: ok 24315
179: ok 24316
179: ok 24317
179: ok 24318
179: ok 24319
179: ok 24320
179: ok 24321
179: ok 24322
179: ok 24323
179: ok 24324
179: ok 24325
179: ok 24326
179: ok 24327
179: ok 24328
179: ok 24329
179: ok 24330
179: ok 24331
179: ok 24332
179: ok 24333
179: ok 24334
179: ok 24335
179: ok 24336
179: ok 24337
179: ok 24338
179: ok 24339
179: ok 24340
179: ok 24341
179: ok 24342
179: ok 24343
179: ok 24344
179: ok 24345
179: ok 24346
179: ok 24347
179: ok 24348
179: ok 24349
179: ok 24350
179: ok 24351
179: ok 24352
179: ok 24353
179: ok 24354
179: ok 24355
179: ok 24356
179: ok 24357
179: ok 24358
179: ok 24359
179: ok 24360
179: ok 24361
179: ok 24362
179: ok 24363
179: ok 24364
179: ok 24365
179: ok 24366
179: ok 24367
179: ok 24368
179: ok 24369
179: ok 24370
179: ok 24371
179: ok 24372
179: ok 24373
179: ok 24374
179: ok 24375
179: ok 24376
179: ok 24377
179: ok 24378
179: ok 24379
179: ok 24380
179: ok 24381
179: ok 24382
179: ok 24383
179: ok 24384
179: ok 24385
179: ok 24386
179: ok 24387
179: ok 24388
179: ok 24389
179: ok 24390
179: ok 24391
179: ok 24392
179: ok 24393
179: ok 24394
179: ok 24395
179: ok 24396
179: ok 24397
179: ok 24398
179: ok 24399
179: ok 24400
179: ok 24401
179: ok 24402
179: ok 24403
179: ok 24404
179: ok 24405
179: ok 24406
179: ok 24407
179: ok 24408
179: ok 24409
179: ok 24410
179: ok 24411
179: ok 24412
179: ok 24413
179: ok 24414
179: ok 24415
179: ok 24416
179: ok 24417
179: ok 24418
179: ok 24419
179: ok 24420
179: ok 24421
179: ok 24422
179: ok 24423
179: ok 24424
179: ok 24425
179: ok 24426
179: ok 24427
179: ok 24428
179: ok 24429
179: ok 24430
179: ok 24431
179: ok 24432
179: ok 24433
179: ok 24434
179: ok 24435
179: ok 24436
179: ok 24437
179: ok 24438
179: ok 24439
179: ok 24440
179: ok 24441
179: ok 24442
179: ok 24443
179: ok 24444
179: ok 24445
179: ok 24446
179: ok 24447
179: ok 24448
179: ok 24449
179: ok 24450
179: ok 24451
179: ok 24452
179: ok 24453
179: ok 24454
179: ok 24455
179: ok 24456
179: ok 24457
179: ok 24458
179: ok 24459
179: ok 24460
179: ok 24461
179: ok 24462
179: ok 24463
179: ok 24464
179: ok 24465
179: ok 24466
179: ok 24467
179: ok 24468
179: ok 24469
179: ok 24470
179: ok 24471
179: ok 24472
179: ok 24473
179: ok 24474
179: ok 24475
179: ok 24476
179: ok 24477
179: ok 24478
179: ok 24479
179: ok 24480
179: ok 24481
179: ok 24482
179: ok 24483
179: ok 24484
179: ok 24485
179: ok 24486
179: ok 24487
179: ok 24488
179: ok 24489
179: ok 24490
179: ok 24491
179: ok 24492
179: ok 24493
179: ok 24494
179: ok 24495
179: ok 24496
179: ok 24497
179: ok 24498
179: ok 24499
179: ok 24500
179: ok 24501
179: ok 24502
179: ok 24503
179: ok 24504
179: ok 24505
179: ok 24506
179: ok 24507
179: ok 24508
179: ok 24509
179: ok 24510
179: ok 24511
179: ok 24512
179: ok 24513
179: ok 24514
179: ok 24515
179: ok 24516
179: ok 24517
179: ok 24518
179: ok 24519
179: ok 24520
179: ok 24521
179: ok 24522
179: ok 24523
179: ok 24524
179: ok 24525
179: ok 24526
179: ok 24527
179: ok 24528
179: ok 24529
179: ok 24530
179: ok 24531
179: ok 24532
179: ok 24533
179: ok 24534
179: ok 24535
179: ok 24536
179: ok 24537
179: ok 24538
179: ok 24539
179: ok 24540
179: ok 24541
179: ok 24542
179: ok 24543
179: ok 24544
179: ok 24545
179: ok 24546
179: ok 24547
179: ok 24548
179: ok 24549
179: ok 24550
179: ok 24551
179: ok 24552
179: ok 24553
179: ok 24554
179: ok 24555
179: ok 24556
179: ok 24557
179: ok 24558
179: ok 24559
179: ok 24560
179: ok 24561
179: ok 24562
179: ok 24563
179: ok 24564
179: ok 24565
179: ok 24566
179: ok 24567
179: ok 24568
179: ok 24569
179: ok 24570
179: ok 24571
179: ok 24572
179: ok 24573
179: ok 24574
179: ok 24575
179: ok 24576
179: ok 24577
179: ok 24578
179: ok 24579
179: ok 24580
179: ok 24581
179: ok 24582
179: ok 24583
179: ok 24584
179: ok 24585
179: ok 24586
179: ok 24587
179: ok 24588
179: ok 24589
179: ok 24590
179: ok 24591
179: ok 24592
179: ok 24593
179: ok 24594
179: ok 24595
179: ok 24596
179: ok 24597
179: ok 24598
179: ok 24599
179: ok 24600
179: ok 24601
179: ok 24602
179: ok 24603
179: ok 24604
179: ok 24605
179: ok 24606
179: ok 24607
179: ok 24608
179: ok 24609
179: ok 24610
179: ok 24611
179: ok 24612
179: ok 24613
179: ok 24614
179: ok 24615
179: ok 24616
179: ok 24617
179: ok 24618
179: ok 24619
179: ok 24620
179: ok 24621
179: ok 24622
179: ok 24623
179: ok 24624
179: ok 24625
179: ok 24626
179: ok 24627
179: ok 24628
179: ok 24629
179: ok 24630
179: ok 24631
179: ok 24632
179: ok 24633
179: ok 24634
179: ok 24635
179: ok 24636
179: ok 24637
179: ok 24638
179: ok 24639
179: ok 24640
179: ok 24641
179: ok 24642
179: ok 24643
179: ok 24644
179: ok 24645
179: ok 24646
179: ok 24647
179: ok 24648
179: ok 24649
179: ok 24650
179: ok 24651
179: ok 24652
179: ok 24653
179: ok 24654
179: ok 24655
179: ok 24656
179: ok 24657
179: ok 24658
179: ok 24659
179: ok 24660
179: ok 24661
179: ok 24662
179: ok 24663
179: ok 24664
179: ok 24665
179: ok 24666
179: ok 24667
179: ok 24668
179: ok 24669
179: ok 24670
179: ok 24671
179: ok 24672
179: ok 24673
179: ok 24674
179: ok 24675
179: ok 24676
179: ok 24677
179: ok 24678
179: ok 24679
179: ok 24680
179: ok 24681
179: ok 24682
179: ok 24683
179: ok 24684
179: ok 24685
179: ok 24686
179: ok 24687
179: ok 24688
179: ok 24689
179: ok 24690
179: ok 24691
179: ok 24692
179: ok 24693
179: ok 24694
179: ok 24695
179: ok 24696
179: ok 24697
179: ok 24698
179: ok 24699
179: ok 24700
179: ok 24701
179: ok 24702
179: ok 24703
179: ok 24704
179: ok 24705
179: ok 24706
179: ok 24707
179: ok 24708
179: ok 24709
179: ok 24710
179: ok 24711
179: ok 24712
179: ok 24713
179: ok 24714
179: ok 24715
179: ok 24716
179: ok 24717
179: ok 24718
179: ok 24719
179: ok 24720
179: ok 24721
179: ok 24722
179: ok 24723
179: ok 24724
179: ok 24725
179: ok 24726
179: ok 24727
179: ok 24728
179: ok 24729
179: ok 24730
179: ok 24731
179: ok 24732
179: ok 24733
179: ok 24734
179: ok 24735
179: ok 24736
179: ok 24737
179: ok 24738
179: ok 24739
179: ok 24740
179: ok 24741
179: ok 24742
179: ok 24743
179: ok 24744
179: ok 24745
179: ok 24746
179: ok 24747
179: ok 24748
179: ok 24749
179: ok 24750
179: ok 24751
179: ok 24752
179: ok 24753
179: ok 24754
179: ok 24755
179: ok 24756
179: ok 24757
179: ok 24758
179: ok 24759
179: ok 24760
179: ok 24761
179: ok 24762
179: ok 24763
179: ok 24764
179: ok 24765
179: ok 24766
179: ok 24767
179: ok 24768
179: ok 24769
179: ok 24770
179: ok 24771
179: ok 24772
179: ok 24773
179: ok 24774
179: ok 24775
179: ok 24776
179: ok 24777
179: ok 24778
179: ok 24779
179: ok 24780
179: ok 24781
179: ok 24782
179: ok 24783
179: ok 24784
179: ok 24785
179: ok 24786
179: ok 24787
179: ok 24788
179: ok 24789
179: ok 24790
179: ok 24791
179: ok 24792
179: ok 24793
179: ok 24794
179: ok 24795
179: ok 24796
179: ok 24797
179: ok 24798
179: ok 24799
179: ok 24800
179: ok 24801
179: ok 24802
179: ok 24803
179: ok 24804
179: ok 24805
179: ok 24806
179: ok 24807
179: ok 24808
179: ok 24809
179: ok 24810
179: ok 24811
179: ok 24812
179: ok 24813
179: ok 24814
179: ok 24815
179: ok 24816
179: ok 24817
179: ok 24818
179: ok 24819
179: ok 24820
179: ok 24821
179: ok 24822
179: ok 24823
179: ok 24824
179: ok 24825
179: ok 24826
179: ok 24827
179: ok 24828
179: ok 24829
179: ok 24830
179: ok 24831
179: ok 24832
179: ok 24833
179: ok 24834
179: ok 24835
179: ok 24836
179: ok 24837
179: ok 24838
179: ok 24839
179: ok 24840
179: ok 24841
179: ok 24842
179: ok 24843
179: ok 24844
179: ok 24845
179: ok 24846
179: ok 24847
179: ok 24848
179: ok 24849
179: ok 24850
179: ok 24851
179: ok 24852
179: ok 24853
179: ok 24854
179: ok 24855
179: ok 24856
179: ok 24857
179: ok 24858
179: ok 24859
179: ok 24860
179: ok 24861
179: ok 24862
179: ok 24863
179: ok 24864
179: ok 24865
179: ok 24866
179: ok 24867
179: ok 24868
179: ok 24869
179: ok 24870
179: ok 24871
179: ok 24872
179: ok 24873
179: ok 24874
179: ok 24875
179: ok 24876
179: ok 24877
179: ok 24878
179: ok 24879
179: ok 24880
179: ok 24881
179: ok 24882
179: ok 24883
179: ok 24884
179: ok 24885
179: ok 24886
179: ok 24887
179: ok 24888
179: ok 24889
179: ok 24890
179: ok 24891
179: ok 24892
179: ok 24893
179: ok 24894
179: ok 24895
179: ok 24896
179: ok 24897
179: ok 24898
179: ok 24899
179: ok 24900
179: ok 24901
179: ok 24902
179: ok 24903
179: ok 24904
179: ok 24905
179: ok 24906
179: ok 24907
179: ok 24908
179: ok 24909
179: ok 24910
179: ok 24911
179: ok 24912
179: ok 24913
179: ok 24914
179: ok 24915
179: ok 24916
179: ok 24917
179: ok 24918
179: ok 24919
179: ok 24920
179: ok 24921
179: ok 24922
179: ok 24923
179: ok 24924
179: ok 24925
179: ok 24926
179: ok 24927
179: ok 24928
179: ok 24929
179: ok 24930
179: ok 24931
179: ok 24932
179: ok 24933
179: ok 24934
179: ok 24935
179: ok 24936
179: ok 24937
179: ok 24938
179: ok 24939
179: ok 24940
179: ok 24941
179: ok 24942
179: ok 24943
179: ok 24944
179: ok 24945
179: ok 24946
179: ok 24947
179: ok 24948
179: ok 24949
179: ok 24950
179: ok 24951
179: ok 24952
179: ok 24953
179: ok 24954
179: ok 24955
179: ok 24956
179: ok 24957
179: ok 24958
179: ok 24959
179: ok 24960
179: ok 24961
179: ok 24962
179: ok 24963
179: ok 24964
179: ok 24965
179: ok 24966
179: ok 24967
179: ok 24968
179: ok 24969
179: ok 24970
179: ok 24971
179: ok 24972
179: ok 24973
179: ok 24974
179: ok 24975
179: ok 24976
179: ok 24977
179: ok 24978
179: ok 24979
179: ok 24980
179: ok 24981
179: ok 24982
179: ok 24983
179: ok 24984
179: ok 24985
179: ok 24986
179: ok 24987
179: ok 24988
179: ok 24989
179: ok 24990
179: ok 24991
179: ok 24992
179: ok 24993
179: ok 24994
179: ok 24995
179: ok 24996
179: ok 24997
179: ok 24998
179: ok 24999
179: ok 25000
179: ok 25001
179: ok 25002
179: ok 25003
179: ok 25004
179: ok 25005
179: ok 25006
179: ok 25007
179: ok 25008
179: ok 25009
179: ok 25010
179: ok 25011
179: ok 25012
179: ok 25013
179: ok 25014
179: ok 25015
179: ok 25016
179: ok 25017
179: ok 25018
179: ok 25019
179: ok 25020
179: ok 25021
179: ok 25022
179: ok 25023
179: ok 25024
179: ok 25025
179: ok 25026
179: ok 25027
179: ok 25028
179: ok 25029
179: ok 25030
179: ok 25031
179: ok 25032
179: ok 25033
179: ok 25034
179: ok 25035
179: ok 25036
179: ok 25037
179: ok 25038
179: ok 25039
179: ok 25040
179: ok 25041
179: ok 25042
179: ok 25043
179: ok 25044
179: ok 25045
179: ok 25046
179: ok 25047
179: ok 25048
179: ok 25049
179: ok 25050
179: ok 25051
179: ok 25052
179: ok 25053
179: ok 25054
179: ok 25055
179: ok 25056
179: ok 25057
179: ok 25058
179: ok 25059
179: ok 25060
179: ok 25061
179: ok 25062
179: ok 25063
179: ok 25064
179: ok 25065
179: ok 25066
179: ok 25067
179: ok 25068
179: ok 25069
179: ok 25070
179: ok 25071
179: ok 25072
179: ok 25073
179: ok 25074
179: ok 25075
179: ok 25076
179: ok 25077
179: ok 25078
179: ok 25079
179: ok 25080
179: ok 25081
179: ok 25082
179: ok 25083
179: ok 25084
179: ok 25085
179: ok 25086
179: ok 25087
179: ok 25088
179: ok 25089
179: ok 25090
179: ok 25091
179: ok 25092
179: ok 25093
179: ok 25094
179: ok 25095
179: ok 25096
179: ok 25097
179: ok 25098
179: ok 25099
179: ok 25100
179: ok 25101
179: ok 25102
179: ok 25103
179: ok 25104
179: ok 25105
179: ok 25106
179: ok 25107
179: ok 25108
179: ok 25109
179: ok 25110
179: ok 25111
179: ok 25112
179: ok 25113
179: ok 25114
179: ok 25115
179: ok 25116
179: ok 25117
179: ok 25118
179: ok 25119
179: ok 25120
179: ok 25121
179: ok 25122
179: ok 25123
179: ok 25124
179: ok 25125
179: ok 25126
179: ok 25127
179: ok 25128
179: ok 25129
179: ok 25130
179: ok 25131
179: ok 25132
179: ok 25133
179: ok 25134
179: ok 25135
179: ok 25136
179: ok 25137
179: ok 25138
179: ok 25139
179: ok 25140
179: ok 25141
179: ok 25142
179: ok 25143
179: ok 25144
179: ok 25145
179: ok 25146
179: ok 25147
179: ok 25148
179: ok 25149
179: ok 25150
179: ok 25151
179: ok 25152
179: ok 25153
179: ok 25154
179: ok 25155
179: ok 25156
179: ok 25157
179: ok 25158
179: ok 25159
179: ok 25160
179: ok 25161
179: ok 25162
179: ok 25163
179: ok 25164
179: ok 25165
179: ok 25166
179: ok 25167
179: ok 25168
179: ok 25169
179: ok 25170
179: ok 25171
179: ok 25172
179: ok 25173
179: ok 25174
179: ok 25175
179: ok 25176
179: ok 25177
179: ok 25178
179: ok 25179
179: ok 25180
179: ok 25181
179: ok 25182
179: ok 25183
179: ok 25184
179: ok 25185
179: ok 25186
179: ok 25187
179: ok 25188
179: ok 25189
179: ok 25190
179: ok 25191
179: ok 25192
179: ok 25193
179: ok 25194
179: ok 25195
179: ok 25196
179: ok 25197
179: ok 25198
179: ok 25199
179: ok 25200
179: ok 25201
179: ok 25202
179: ok 25203
179: ok 25204
179: ok 25205
179: ok 25206
179: ok 25207
179: ok 25208
179: ok 25209
179: ok 25210
179: ok 25211
179: ok 25212
179: ok 25213
179: ok 25214
179: ok 25215
179: ok 25216
179: ok 25217
179: ok 25218
179: ok 25219
179: ok 25220
179: ok 25221
179: ok 25222
179: ok 25223
179: ok 25224
179: ok 25225
179: ok 25226
179: ok 25227
179: ok 25228
179: ok 25229
179: ok 25230
179: ok 25231
179: ok 25232
179: ok 25233
179: ok 25234
179: ok 25235
179: ok 25236
179: ok 25237
179: ok 25238
179: ok 25239
179: ok 25240
179: ok 25241
179: ok 25242
179: ok 25243
179: ok 25244
179: ok 25245
179: ok 25246
179: ok 25247
179: ok 25248
179: ok 25249
179: ok 25250
179: ok 25251
179: ok 25252
179: ok 25253
179: ok 25254
179: ok 25255
179: ok 25256
179: ok 25257
179: ok 25258
179: ok 25259
179: ok 25260
179: ok 25261
179: ok 25262
179: ok 25263
179: ok 25264
179: ok 25265
179: ok 25266
179: ok 25267
179: ok 25268
179: ok 25269
179: ok 25270
179: ok 25271
179: ok 25272
179: ok 25273
179: ok 25274
179: ok 25275
179: ok 25276
179: ok 25277
179: ok 25278
179: ok 25279
179: ok 25280
179: ok 25281
179: ok 25282
179: ok 25283
179: ok 25284
179: ok 25285
179: ok 25286
179: ok 25287
179: ok 25288
179: ok 25289
179: ok 25290
179: ok 25291
179: ok 25292
179: ok 25293
179: ok 25294
179: ok 25295
179: ok 25296
179: ok 25297
179: ok 25298
179: ok 25299
179: ok 25300
179: ok 25301
179: ok 25302
179: ok 25303
179: ok 25304
179: ok 25305
179: ok 25306
179: ok 25307
179: ok 25308
179: ok 25309
179: ok 25310
179: ok 25311
179: ok 25312
179: ok 25313
179: ok 25314
179: ok 25315
179: ok 25316
179: ok 25317
179: ok 25318
179: ok 25319
179: ok 25320
179: ok 25321
179: ok 25322
179: ok 25323
179: ok 25324
179: ok 25325
179: ok 25326
179: ok 25327
179: ok 25328
179: ok 25329
179: ok 25330
179: ok 25331
179: ok 25332
179: ok 25333
179: ok 25334
179: ok 25335
179: ok 25336
179: ok 25337
179: ok 25338
179: ok 25339
179: ok 25340
179: ok 25341
179: ok 25342
179: ok 25343
179: ok 25344
179: ok 25345
179: ok 25346
179: ok 25347
179: ok 25348
179: ok 25349
179: ok 25350
179: ok 25351
179: ok 25352
179: ok 25353
179: ok 25354
179: ok 25355
179: ok 25356
179: ok 25357
179: ok 25358
179: ok 25359
179: ok 25360
179: ok 25361
179: ok 25362
179: ok 25363
179: ok 25364
179: ok 25365
179: ok 25366
179: ok 25367
179: ok 25368
179: ok 25369
179: ok 25370
179: ok 25371
179: ok 25372
179: ok 25373
179: ok 25374
179: ok 25375
179: ok 25376
179: ok 25377
179: ok 25378
179: ok 25379
179: ok 25380
179: ok 25381
179: ok 25382
179: ok 25383
179: ok 25384
179: ok 25385
179: ok 25386
179: ok 25387
179: ok 25388
179: ok 25389
179: ok 25390
179: ok 25391
179: ok 25392
179: ok 25393
179: ok 25394
179: ok 25395
179: ok 25396
179: ok 25397
179: ok 25398
179: ok 25399
179: ok 25400
179: ok 25401
179: ok 25402
179: ok 25403
179: ok 25404
179: ok 25405
179: ok 25406
179: ok 25407
179: ok 25408
179: ok 25409
179: ok 25410
179: ok 25411
179: ok 25412
179: ok 25413
179: ok 25414
179: ok 25415
179: ok 25416
179: ok 25417
179: ok 25418
179: ok 25419
179: ok 25420
179: ok 25421
179: ok 25422
179: ok 25423
179: ok 25424
179: ok 25425
179: ok 25426
179: ok 25427
179: ok 25428
179: ok 25429
179: ok 25430
179: ok 25431
179: ok 25432
179: ok 25433
179: ok 25434
179: ok 25435
179: ok 25436
179: ok 25437
179: ok 25438
179: ok 25439
179: ok 25440
179: ok 25441
179: ok 25442
179: ok 25443
179: ok 25444
179: ok 25445
179: ok 25446
179: ok 25447
179: ok 25448
179: ok 25449
179: ok 25450
179: ok 25451
179: ok 25452
179: ok 25453
179: ok 25454
179: ok 25455
179: ok 25456
179: ok 25457
179: ok 25458
179: ok 25459
179: ok 25460
179: ok 25461
179: ok 25462
179: ok 25463
179: ok 25464
179: ok 25465
179: ok 25466
179: ok 25467
179: ok 25468
179: ok 25469
179: ok 25470
179: ok 25471
179: ok 25472
179: ok 25473
179: ok 25474
179: ok 25475
179: ok 25476
179: ok 25477
179: ok 25478
179: ok 25479
179: ok 25480
179: ok 25481
179: ok 25482
179: ok 25483
179: ok 25484
179: ok 25485
179: ok 25486
179: ok 25487
179: ok 25488
179: ok 25489
179: ok 25490
179: ok 25491
179: ok 25492
179: ok 25493
179: ok 25494
179: ok 25495
179: ok 25496
179: ok 25497
179: ok 25498
179: ok 25499
179: ok 25500
179: ok 25501
179: ok 25502
179: ok 25503
179: ok 25504
179: ok 25505
179: ok 25506
179: ok 25507
179: ok 25508
179: ok 25509
179: ok 25510
179: ok 25511
179: ok 25512
179: ok 25513
179: ok 25514
179: ok 25515
179: ok 25516
179: ok 25517
179: ok 25518
179: ok 25519
179: ok 25520
179: ok 25521
179: ok 25522
179: ok 25523
179: ok 25524
179: ok 25525
179: ok 25526
179: ok 25527
179: ok 25528
179: ok 25529
179: ok 25530
179: ok 25531
179: ok 25532
179: ok 25533
179: ok 25534
179: ok 25535
179: ok 25536
179: ok 25537
179: ok 25538
179: ok 25539
179: ok 25540
179: ok 25541
179: ok 25542
179: ok 25543
179: ok 25544
179: ok 25545
179: ok 25546
179: ok 25547
179: ok 25548
179: ok 25549
179: ok 25550
179: ok 25551
179: ok 25552
179: ok 25553
179: ok 25554
179: ok 25555
179: ok 25556
179: ok 25557
179: ok 25558
179: ok 25559
179: ok 25560
179: ok 25561
179: ok 25562
179: ok 25563
179: ok 25564
179: ok 25565
179: ok 25566
179: ok 25567
179: ok 25568
179: ok 25569
179: ok 25570
179: ok 25571
179: ok 25572
179: ok 25573
179: ok 25574
179: ok 25575
179: ok 25576
179: ok 25577
179: ok 25578
179: ok 25579
179: ok 25580
179: ok 25581
179: ok 25582
179: ok 25583
179: ok 25584
179: ok 25585
179: ok 25586
179: ok 25587
179: ok 25588
179: ok 25589
179: ok 25590
179: ok 25591
179: ok 25592
179: ok 25593
179: ok 25594
179: ok 25595
179: ok 25596
179: ok 25597
179: ok 25598
179: ok 25599
179: ok 25600
179: ok 25601
179: ok 25602
179: ok 25603
179: ok 25604
179: ok 25605
179: ok 25606
179: ok 25607
179: ok 25608
179: ok 25609
179: ok 25610
179: ok 25611
179: ok 25612
179: ok 25613
179: ok 25614
179: ok 25615
179: ok 25616
179: ok 25617
179: ok 25618
179: ok 25619
179: ok 25620
179: ok 25621
179: ok 25622
179: ok 25623
179: ok 25624
179: ok 25625
179: ok 25626
179: ok 25627
179: ok 25628
179: ok 25629
179: ok 25630
179: ok 25631
179: ok 25632
179: ok 25633
179: ok 25634
179: ok 25635
179: ok 25636
179: ok 25637
179: ok 25638
179: ok 25639
179: ok 25640
179: ok 25641
179: ok 25642
179: ok 25643
179: ok 25644
179: ok 25645
179: ok 25646
179: ok 25647
179: ok 25648
179: ok 25649
179: ok 25650
179: ok 25651
179: ok 25652
179: ok 25653
179: ok 25654
179: ok 25655
179: ok 25656
179: ok 25657
179: ok 25658
179: ok 25659
179: ok 25660
179: ok 25661
179: ok 25662
179: ok 25663
179: ok 25664
179: ok 25665
179: ok 25666
179: ok 25667
179: ok 25668
179: ok 25669
179: ok 25670
179: ok 25671
179: ok 25672
179: ok 25673
179: ok 25674
179: ok 25675
179: ok 25676
179: ok 25677
179: ok 25678
179: ok 25679
179: ok 25680
179: ok 25681
179: ok 25682
179: ok 25683
179: ok 25684
179: ok 25685
179: ok 25686
179: ok 25687
179: ok 25688
179: ok 25689
179: ok 25690
179: ok 25691
179: ok 25692
179: ok 25693
179: ok 25694
179: ok 25695
179: ok 25696
179: ok 25697
179: ok 25698
179: ok 25699
179: ok 25700
179: ok 25701
179: ok 25702
179: ok 25703
179: ok 25704
179: ok 25705
179: ok 25706
179: ok 25707
179: ok 25708
179: ok 25709
179: ok 25710
179: ok 25711
179: ok 25712
179: ok 25713
179: ok 25714
179: ok 25715
179: ok 25716
179: ok 25717
179: ok 25718
179: ok 25719
179: ok 25720
179: ok 25721
179: ok 25722
179: ok 25723
179: ok 25724
179: ok 25725
179: ok 25726
179: ok 25727
179: ok 25728
179: ok 25729
179: ok 25730
179: ok 25731
179: ok 25732
179: ok 25733
179: ok 25734
179: ok 25735
179: ok 25736
179: ok 25737
179: ok 25738
179: ok 25739
179: ok 25740
179: ok 25741
179: ok 25742
179: ok 25743
179: ok 25744
179: ok 25745
179: ok 25746
179: ok 25747
179: ok 25748
179: ok 25749
179: ok 25750
179: ok 25751
179: ok 25752
179: ok 25753
179: ok 25754
179: ok 25755
179: ok 25756
179: ok 25757
179: ok 25758
179: ok 25759
179: ok 25760
179: ok 25761
179: ok 25762
179: ok 25763
179: ok 25764
179: ok 25765
179: ok 25766
179: ok 25767
179: ok 25768
179: ok 25769
179: ok 25770
179: ok 25771
179: ok 25772
179: ok 25773
179: ok 25774
179: ok 25775
179: ok 25776
179: ok 25777
179: ok 25778
179: ok 25779
179: ok 25780
179: ok 25781
179: ok 25782
179: ok 25783
179: ok 25784
179: ok 25785
179: ok 25786
179: ok 25787
179: ok 25788
179: ok 25789
179: ok 25790
179: ok 25791
179: ok 25792
179: ok 25793
179: ok 25794
179: ok 25795
179: ok 25796
179: ok 25797
179: ok 25798
179: ok 25799
179: ok 25800
179: ok 25801
179: ok 25802
179: ok 25803
179: ok 25804
179: ok 25805
179: ok 25806
179: ok 25807
179: ok 25808
179: ok 25809
179: ok 25810
179: ok 25811
179: ok 25812
179: ok 25813
179: ok 25814
179: ok 25815
179: ok 25816
179: ok 25817
179: ok 25818
179: ok 25819
179: ok 25820
179: ok 25821
179: ok 25822
179: ok 25823
179: ok 25824
179: ok 25825
179: ok 25826
179: ok 25827
179: ok 25828
179: ok 25829
179: ok 25830
179: ok 25831
179: ok 25832
179: ok 25833
179: ok 25834
179: ok 25835
179: ok 25836
179: ok 25837
179: ok 25838
179: ok 25839
179: ok 25840
179: ok 25841
179: ok 25842
179: ok 25843
179: ok 25844
179: ok 25845
179: ok 25846
179: ok 25847
179: ok 25848
179: ok 25849
179: ok 25850
179: ok 25851
179: ok 25852
179: ok 25853
179: ok 25854
179: ok 25855
179: ok 25856
179: ok 25857
179: ok 25858
179: ok 25859
179: ok 25860
179: ok 25861
179: ok 25862
179: ok 25863
179: ok 25864
179: ok 25865
179: ok 25866
179: ok 25867
179: ok 25868
179: ok 25869
179: ok 25870
179: ok 25871
179: ok 25872
179: ok 25873
179: ok 25874
179: ok 25875
179: ok 25876
179: ok 25877
179: ok 25878
179: ok 25879
179: ok 25880
179: ok 25881
179: ok 25882
179: ok 25883
179: ok 25884
179: ok 25885
179: ok 25886
179: ok 25887
179: ok 25888
179: ok 25889
179: ok 25890
179: ok 25891
179: ok 25892
179: ok 25893
179: ok 25894
179: ok 25895
179: ok 25896
179: ok 25897
179: ok 25898
179: ok 25899
179: ok 25900
179: ok 25901
179: ok 25902
179: ok 25903
179: ok 25904
179: ok 25905
179: ok 25906
179: ok 25907
179: ok 25908
179: ok 25909
179: ok 25910
179: ok 25911
179: ok 25912
179: ok 25913
179: ok 25914
179: ok 25915
179: ok 25916
179: ok 25917
179: ok 25918
179: ok 25919
179: ok 25920
179: ok 25921
179: ok 25922
179: ok 25923
179: ok 25924
179: ok 25925
179: ok 25926
179: ok 25927
179: ok 25928
179: ok 25929
179: ok 25930
179: ok 25931
179: ok 25932
179: ok 25933
179: ok 25934
179: ok 25935
179: ok 25936
179: ok 25937
179: ok 25938
179: ok 25939
179: ok 25940
179: ok 25941
179: ok 25942
179: ok 25943
179: ok 25944
179: ok 25945
179: ok 25946
179: ok 25947
179: ok 25948
179: ok 25949
179: ok 25950
179: ok 25951
179: ok 25952
179: ok 25953
179: ok 25954
179: ok 25955
179: ok 25956
179: ok 25957
179: ok 25958
179: ok 25959
179: ok 25960
179: ok 25961
179: ok 25962
179: ok 25963
179: ok 25964
179: ok 25965
179: ok 25966
179: ok 25967
179: ok 25968
179: ok 25969
179: ok 25970
179: ok 25971
179: ok 25972
179: ok 25973
179: ok 25974
179: ok 25975
179: ok 25976
179: ok 25977
179: ok 25978
179: ok 25979
179: ok 25980
179: ok 25981
179: ok 25982
179: ok 25983
179: ok 25984
179: ok 25985
179: ok 25986
179: ok 25987
179: ok 25988
179: ok 25989
179: ok 25990
179: ok 25991
179: ok 25992
179: ok 25993
179: ok 25994
179: ok 25995
179: ok 25996
179: ok 25997
179: ok 25998
179: ok 25999
179: ok 26000
179: ok 26001
179: ok 26002
179: ok 26003
179: ok 26004
179: ok 26005
179: ok 26006
179: ok 26007
179: ok 26008
179: ok 26009
179: ok 26010
179: ok 26011
179: ok 26012
179: ok 26013
179: ok 26014
179: ok 26015
179: ok 26016
179: ok 26017
179: ok 26018
179: ok 26019
179: ok 26020
179: ok 26021
179: ok 26022
179: ok 26023
179: ok 26024
179: ok 26025
179: ok 26026
179: ok 26027
179: ok 26028
179: ok 26029
179: ok 26030
179: ok 26031
179: ok 26032
179: ok 26033
179: ok 26034
179: ok 26035
179: ok 26036
179: ok 26037
179: ok 26038
179: ok 26039
179: ok 26040
179: ok 26041
179: ok 26042
179: ok 26043
179: ok 26044
179: ok 26045
179: ok 26046
179: ok 26047
179: ok 26048
179: ok 26049
179: ok 26050
179: ok 26051
179: ok 26052
179: ok 26053
179: ok 26054
179: ok 26055
179: ok 26056
179: ok 26057
179: ok 26058
179: ok 26059
179: ok 26060
179: ok 26061
179: ok 26062
179: ok 26063
179: ok 26064
179: ok 26065
179: ok 26066
179: ok 26067
179: ok 26068
179: ok 26069
179: ok 26070
179: ok 26071
179: ok 26072
179: ok 26073
179: ok 26074
179: ok 26075
179: ok 26076
179: ok 26077
179: ok 26078
179: ok 26079
179: ok 26080
179: ok 26081
179: ok 26082
179: ok 26083
179: ok 26084
179: ok 26085
179: ok 26086
179: ok 26087
179: ok 26088
179: ok 26089
179: ok 26090
179: ok 26091
179: ok 26092
179: ok 26093
179: ok 26094
179: ok 26095
179: ok 26096
179: ok 26097
179: ok 26098
179: ok 26099
179: ok 26100
179: ok 26101
179: ok 26102
179: ok 26103
179: ok 26104
179: ok 26105
179: ok 26106
179: ok 26107
179: ok 26108
179: ok 26109
179: ok 26110
179: ok 26111
179: ok 26112
179: ok 26113
179: ok 26114
179: ok 26115
179: ok 26116
179: ok 26117
179: ok 26118
179: ok 26119
179: ok 26120
179: ok 26121
179: ok 26122
179: ok 26123
179: ok 26124
179: ok 26125
179: ok 26126
179: ok 26127
179: ok 26128
179: ok 26129
179: ok 26130
179: ok 26131
179: ok 26132
179: ok 26133
179: ok 26134
179: ok 26135
179: ok 26136
179: ok 26137
179: ok 26138
179: ok 26139
179: ok 26140
179: ok 26141
179: ok 26142
179: ok 26143
179: ok 26144
179: ok 26145
179: ok 26146
179: ok 26147
179: ok 26148
179: ok 26149
179: ok 26150
179: ok 26151
179: ok 26152
179: ok 26153
179: ok 26154
179: ok 26155
179: ok 26156
179: ok 26157
179: ok 26158
179: ok 26159
179: ok 26160
179: ok 26161
179: ok 26162
179: ok 26163
179: ok 26164
179: ok 26165
179: ok 26166
179: ok 26167
179: ok 26168
179: ok 26169
179: ok 26170
179: ok 26171
179: ok 26172
179: ok 26173
179: ok 26174
179: ok 26175
179: ok 26176
179: ok 26177
179: ok 26178
179: ok 26179
179: ok 26180
179: ok 26181
179: ok 26182
179: ok 26183
179: ok 26184
179: ok 26185
179: ok 26186
179: ok 26187
179: ok 26188
179: ok 26189
179: ok 26190
179: ok 26191
179: ok 26192
179: ok 26193
179: ok 26194
179: ok 26195
179: ok 26196
179: ok 26197
179: ok 26198
179: ok 26199
179: ok 26200
179: ok 26201
179: ok 26202
179: ok 26203
179: ok 26204
179: ok 26205
179: ok 26206
179: ok 26207
179: ok 26208
179: ok 26209
179: ok 26210
179: ok 26211
179: ok 26212
179: ok 26213
179: ok 26214
179: ok 26215
179: ok 26216
179: ok 26217
179: ok 26218
179: ok 26219
179: ok 26220
179: ok 26221
179: ok 26222
179: ok 26223
179: ok 26224
179: ok 26225
179: ok 26226
179: ok 26227
179: ok 26228
179: ok 26229
179: ok 26230
179: ok 26231
179: ok 26232
179: ok 26233
179: ok 26234
179: ok 26235
179: ok 26236
179: ok 26237
179: ok 26238
179: ok 26239
179: ok 26240
179: ok 26241
179: ok 26242
179: ok 26243
179: ok 26244
179: ok 26245
179: ok 26246
179: ok 26247
179: ok 26248
179: ok 26249
179: ok 26250
179: ok 26251
179: ok 26252
179: ok 26253
179: ok 26254
179: ok 26255
179: ok 26256
179: ok 26257
179: ok 26258
179: ok 26259
179: ok 26260
179: ok 26261
179: ok 26262
179: ok 26263
179: ok 26264
179: ok 26265
179: ok 26266
179: ok 26267
179: ok 26268
179: ok 26269
179: ok 26270
179: ok 26271
179: ok 26272
179: ok 26273
179: ok 26274
179: ok 26275
179: ok 26276
179: ok 26277
179: ok 26278
179: ok 26279
179: ok 26280
179: ok 26281
179: ok 26282
179: ok 26283
179: ok 26284
179: ok 26285
179: ok 26286
179: ok 26287
179: ok 26288
179: ok 26289
179: ok 26290
179: ok 26291
179: ok 26292
179: ok 26293
179: ok 26294
179: ok 26295
179: ok 26296
179: ok 26297
179: ok 26298
179: ok 26299
179: ok 26300
179: ok 26301
179: ok 26302
179: ok 26303
179: ok 26304
179: ok 26305
179: ok 26306
179: ok 26307
179: ok 26308
179: ok 26309
179: ok 26310
179: ok 26311
179: ok 26312
179: ok 26313
179: ok 26314
179: ok 26315
179: ok 26316
179: ok 26317
179: ok 26318
179: ok 26319
179: ok 26320
179: ok 26321
179: ok 26322
179: ok 26323
179: ok 26324
179: ok 26325
179: ok 26326
179: ok 26327
179: ok 26328
179: ok 26329
179: ok 26330
179: ok 26331
179: ok 26332
179: ok 26333
179: ok 26334
179: ok 26335
179: ok 26336
179: ok 26337
179: ok 26338
179: ok 26339
179: ok 26340
179: ok 26341
179: ok 26342
179: ok 26343
179: ok 26344
179: ok 26345
179: ok 26346
179: ok 26347
179: ok 26348
179: ok 26349
179: ok 26350
179: ok 26351
179: ok 26352
179: ok 26353
179: ok 26354
179: ok 26355
179: ok 26356
179: ok 26357
179: ok 26358
179: ok 26359
179: ok 26360
179: ok 26361
179: ok 26362
179: ok 26363
179: ok 26364
179: ok 26365
179: ok 26366
179: ok 26367
179: ok 26368
179: ok 26369
179: ok 26370
179: ok 26371
179: ok 26372
179: ok 26373
179: ok 26374
179: ok 26375
179: ok 26376
179: ok 26377
179: ok 26378
179: ok 26379
179: ok 26380
179: ok 26381
179: ok 26382
179: ok 26383
179: ok 26384
179: ok 26385
179: ok 26386
179: ok 26387
179: ok 26388
179: ok 26389
179: ok 26390
179: ok 26391
179: ok 26392
179: ok 26393
179: ok 26394
179: ok 26395
179: ok 26396
179: ok 26397
179: ok 26398
179: ok 26399
179: ok 26400
179: ok 26401
179: ok 26402
179: ok 26403
179: ok 26404
179: ok 26405
179: ok 26406
179: ok 26407
179: ok 26408
179: ok 26409
179: ok 26410
179: ok 26411
179: ok 26412
179: ok 26413
179: ok 26414
179: ok 26415
179: ok 26416
179: ok 26417
179: ok 26418
179: ok 26419
179: ok 26420
179: ok 26421
179: ok 26422
179: ok 26423
179: ok 26424
179: ok 26425
179: ok 26426
179: ok 26427
179: ok 26428
179: ok 26429
179: ok 26430
179: ok 26431
179: ok 26432
179: ok 26433
179: ok 26434
179: ok 26435
179: ok 26436
179: ok 26437
179: ok 26438
179: ok 26439
179: ok 26440
179: ok 26441
179: ok 26442
179: ok 26443
179: ok 26444
179: ok 26445
179: ok 26446
179: ok 26447
179: ok 26448
179: ok 26449
179: ok 26450
179: ok 26451
179: ok 26452
179: ok 26453
179: ok 26454
179: ok 26455
179: ok 26456
179: ok 26457
179: ok 26458
179: ok 26459
179: ok 26460
179: ok 26461
179: ok 26462
179: ok 26463
179: ok 26464
179: ok 26465
179: ok 26466
179: ok 26467
179: ok 26468
179: ok 26469
179: ok 26470
179: ok 26471
179: ok 26472
179: ok 26473
179: ok 26474
179: ok 26475
179: ok 26476
179: ok 26477
179: ok 26478
179: ok 26479
179: ok 26480
179: ok 26481
179: ok 26482
179: ok 26483
179: ok 26484
179: ok 26485
179: ok 26486
179: ok 26487
179: ok 26488
179: ok 26489
179: ok 26490
179: ok 26491
179: ok 26492
179: ok 26493
179: ok 26494
179: ok 26495
179: ok 26496
179: ok 26497
179: ok 26498
179: ok 26499
179: ok 26500
179: ok 26501
179: ok 26502
179: ok 26503
179: ok 26504
179: ok 26505
179: ok 26506
179: ok 26507
179: ok 26508
179: ok 26509
179: ok 26510
179: ok 26511
179: ok 26512
179: ok 26513
179: ok 26514
179: ok 26515
179: ok 26516
179: ok 26517
179: ok 26518
179: ok 26519
179: ok 26520
179: ok 26521
179: ok 26522
179: ok 26523
179: ok 26524
179: ok 26525
179: ok 26526
179: ok 26527
179: ok 26528
179: ok 26529
179: ok 26530
179: ok 26531
179: ok 26532
179: ok 26533
179: ok 26534
179: ok 26535
179: ok 26536
179: ok 26537
179: ok 26538
179: ok 26539
179: ok 26540
179: ok 26541
179: ok 26542
179: ok 26543
179: ok 26544
179: ok 26545
179: ok 26546
179: ok 26547
179: ok 26548
179: ok 26549
179: ok 26550
179: ok 26551
179: ok 26552
179: ok 26553
179: ok 26554
179: ok 26555
179: ok 26556
179: ok 26557
179: ok 26558
179: ok 26559
179: ok 26560
179: ok 26561
179: ok 26562
179: ok 26563
179: ok 26564
179: ok 26565
179: ok 26566
179: ok 26567
179: ok 26568
179: ok 26569
179: ok 26570
179: ok 26571
179: ok 26572
179: ok 26573
179: ok 26574
179: ok 26575
179: ok 26576
179: ok 26577
179: ok 26578
179: ok 26579
179: ok 26580
179: ok 26581
179: ok 26582
179: ok 26583
179: ok 26584
179: ok 26585
179: ok 26586
179: ok 26587
179: ok 26588
179: ok 26589
179: ok 26590
179: ok 26591
179: ok 26592
179: ok 26593
179: ok 26594
179: ok 26595
179: ok 26596
179: ok 26597
179: ok 26598
179: ok 26599
179: ok 26600
179: ok 26601
179: ok 26602
179: ok 26603
179: ok 26604
179: ok 26605
179: ok 26606
179: ok 26607
179: ok 26608
179: ok 26609
179: ok 26610
179: ok 26611
179: ok 26612
179: ok 26613
179: ok 26614
179: ok 26615
179: ok 26616
179: ok 26617
179: ok 26618
179: ok 26619
179: ok 26620
179: ok 26621
179: ok 26622
179: ok 26623
179: ok 26624
179: ok 26625
179: ok 26626
179: ok 26627
179: ok 26628
179: ok 26629
179: ok 26630
179: ok 26631
179: ok 26632
179: ok 26633
179: ok 26634
179: ok 26635
179: ok 26636
179: ok 26637
179: ok 26638
179: ok 26639
179: ok 26640
179: ok 26641
179: ok 26642
179: ok 26643
179: ok 26644
179: ok 26645
179: ok 26646
179: ok 26647
179: ok 26648
179: ok 26649
179: ok 26650
179: ok 26651
179: ok 26652
179: ok 26653
179: ok 26654
179: ok 26655
179: ok 26656
179: ok 26657
179: ok 26658
179: ok 26659
179: ok 26660
179: ok 26661
179: ok 26662
179: ok 26663
179: ok 26664
179: ok 26665
179: ok 26666
179: ok 26667
179: ok 26668
179: ok 26669
179: ok 26670
179: ok 26671
179: ok 26672
179: ok 26673
179: ok 26674
179: ok 26675
179: ok 26676
179: ok 26677
179: ok 26678
179: ok 26679
179: ok 26680
179: ok 26681
179: ok 26682
179: ok 26683
179: ok 26684
179: ok 26685
179: ok 26686
179: ok 26687
179: ok 26688
179: ok 26689
179: ok 26690
179: ok 26691
179: ok 26692
179: ok 26693
179: ok 26694
179: ok 26695
179: ok 26696
179: ok 26697
179: ok 26698
179: ok 26699
179: ok 26700
179: ok 26701
179: ok 26702
179: ok 26703
179: ok 26704
179: ok 26705
179: ok 26706
179: ok 26707
179: ok 26708
179: ok 26709
179: ok 26710
179: ok 26711
179: ok 26712
179: ok 26713
179: ok 26714
179: ok 26715
179: ok 26716
179: ok 26717
179: ok 26718
179: ok 26719
179: ok 26720
179: ok 26721
179: ok 26722
179: ok 26723
179: ok 26724
179: ok 26725
179: ok 26726
179: ok 26727
179: ok 26728
179: ok 26729
179: ok 26730
179: ok 26731
179: ok 26732
179: ok 26733
179: ok 26734
179: ok 26735
179: ok 26736
179: ok 26737
179: ok 26738
179: ok 26739
179: ok 26740
179: ok 26741
179: ok 26742
179: ok 26743
179: ok 26744
179: ok 26745
179: ok 26746
179: ok 26747
179: ok 26748
179: ok 26749
179: ok 26750
179: ok 26751
179: ok 26752
179: ok 26753
179: ok 26754
179: ok 26755
179: ok 26756
179: ok 26757
179: ok 26758
179: ok 26759
179: ok 26760
179: ok 26761
179: ok 26762
179: ok 26763
179: ok 26764
179: ok 26765
179: ok 26766
179: ok 26767
179: ok 26768
179: ok 26769
179: ok 26770
179: ok 26771
179: ok 26772
179: ok 26773
179: ok 26774
179: ok 26775
179: ok 26776
179: ok 26777
179: ok 26778
179: ok 26779
179: ok 26780
179: ok 26781
179: ok 26782
179: ok 26783
179: ok 26784
179: ok 26785
179: ok 26786
179: ok 26787
179: ok 26788
179: ok 26789
179: ok 26790
179: ok 26791
179: ok 26792
179: ok 26793
179: ok 26794
179: ok 26795
179: ok 26796
179: ok 26797
179: ok 26798
179: ok 26799
179: ok 26800
179: ok 26801
179: ok 26802
179: ok 26803
179: ok 26804
179: ok 26805
179: ok 26806
179: ok 26807
179: ok 26808
179: ok 26809
179: ok 26810
179: ok 26811
179: ok 26812
179: ok 26813
179: ok 26814
179: ok 26815
179: ok 26816
179: ok 26817
179: ok 26818
179: ok 26819
179: ok 26820
179: ok 26821
179: ok 26822
179: ok 26823
179: ok 26824
179: ok 26825
179: ok 26826
179: ok 26827
179: ok 26828
179: ok 26829
179: ok 26830
179: ok 26831
179: ok 26832
179: ok 26833
179: ok 26834
179: ok 26835
179: ok 26836
179: ok 26837
179: ok 26838
179: ok 26839
179: ok 26840
179: ok 26841
179: ok 26842
179: ok 26843
179: ok 26844
179: ok 26845
179: ok 26846
179: ok 26847
179: ok 26848
179: ok 26849
179: ok 26850
179: ok 26851
179: ok 26852
179: ok 26853
179: ok 26854
179: ok 26855
179: ok 26856
179: ok 26857
179: ok 26858
179: ok 26859
179: ok 26860
179: ok 26861
179: ok 26862
179: ok 26863
179: ok 26864
179: ok 26865
179: ok 26866
179: ok 26867
179: ok 26868
179: ok 26869
179: ok 26870
179: ok 26871
179: ok 26872
179: ok 26873
179: ok 26874
179: ok 26875
179: ok 26876
179: ok 26877
179: ok 26878
179: ok 26879
179: ok 26880
179: ok 26881
179: ok 26882
179: ok 26883
179: ok 26884
179: ok 26885
179: ok 26886
179: ok 26887
179: ok 26888
179: ok 26889
179: ok 26890
179: ok 26891
179: ok 26892
179: ok 26893
179: ok 26894
179: ok 26895
179: ok 26896
179: ok 26897
179: ok 26898
179: ok 26899
179: ok 26900
179: ok 26901
179: ok 26902
179: ok 26903
179: ok 26904
179: ok 26905
179: ok 26906
179: ok 26907
179: ok 26908
179: ok 26909
179: ok 26910
179: ok 26911
179: ok 26912
179: ok 26913
179: ok 26914
179: ok 26915
179: ok 26916
179: ok 26917
179: ok 26918
179: ok 26919
179: ok 26920
179: ok 26921
179: ok 26922
179: ok 26923
179: ok 26924
179: ok 26925
179: ok 26926
179: ok 26927
179: ok 26928
179: ok 26929
179: ok 26930
179: ok 26931
179: ok 26932
179: ok 26933
179: ok 26934
179: ok 26935
179: ok 26936
179: ok 26937
179: ok 26938
179: ok 26939
179: ok 26940
179: ok 26941
179: ok 26942
179: ok 26943
179: ok 26944
179: ok 26945
179: ok 26946
179: ok 26947
179: ok 26948
179: ok 26949
179: ok 26950
179: ok 26951
179: ok 26952
179: ok 26953
179: ok 26954
179: ok 26955
179: ok 26956
179: ok 26957
179: ok 26958
179: ok 26959
179: ok 26960
179: ok 26961
179: ok 26962
179: ok 26963
179: ok 26964
179: ok 26965
179: ok 26966
179: ok 26967
179: ok 26968
179: ok 26969
179: ok 26970
179: ok 26971
179: ok 26972
179: ok 26973
179: ok 26974
179: ok 26975
179: ok 26976
179: ok 26977
179: ok 26978
179: ok 26979
179: ok 26980
179: ok 26981
179: ok 26982
179: ok 26983
179: ok 26984
179: ok 26985
179: ok 26986
179: ok 26987
179: ok 26988
179: ok 26989
179: ok 26990
179: ok 26991
179: ok 26992
179: ok 26993
179: ok 26994
179: ok 26995
179: ok 26996
179: ok 26997
179: ok 26998
179: ok 26999
179: ok 27000
179: ok 27001
179: ok 27002
179: ok 27003
179: ok 27004
179: ok 27005
179: ok 27006
179: ok 27007
179: ok 27008
179: ok 27009
179: ok 27010
179: ok 27011
179: ok 27012
179: ok 27013
179: ok 27014
179: ok 27015
179: ok 27016
179: ok 27017
179: ok 27018
179: ok 27019
179: ok 27020
179: ok 27021
179: ok 27022
179: ok 27023
179: ok 27024
179: ok 27025
179: ok 27026
179: ok 27027
179: ok 27028
179: ok 27029
179: ok 27030
179: ok 27031
179: ok 27032
179: ok 27033
179: ok 27034
179: ok 27035
179: ok 27036
179: ok 27037
179: ok 27038
179: ok 27039
179: ok 27040
179: ok 27041
179: ok 27042
179: ok 27043
179: ok 27044
179: ok 27045
179: ok 27046
179: ok 27047
179: ok 27048
179: ok 27049
179: ok 27050
179: ok 27051
179: ok 27052
179: ok 27053
179: ok 27054
179: ok 27055
179: ok 27056
179: ok 27057
179: ok 27058
179: ok 27059
179: ok 27060
179: ok 27061
179: ok 27062
179: ok 27063
179: ok 27064
179: ok 27065
179: ok 27066
179: ok 27067
179: ok 27068
179: ok 27069
179: ok 27070
179: ok 27071
179: ok 27072
179: ok 27073
179: ok 27074
179: ok 27075
179: ok 27076
179: ok 27077
179: ok 27078
179: ok 27079
179: ok 27080
179: ok 27081
179: ok 27082
179: ok 27083
179: ok 27084
179: ok 27085
179: ok 27086
179: ok 27087
179: ok 27088
179: ok 27089
179: ok 27090
179: ok 27091
179: ok 27092
179: ok 27093
179: ok 27094
179: ok 27095
179: ok 27096
179: ok 27097
179: ok 27098
179: ok 27099
179: ok 27100
179: ok 27101
179: ok 27102
179: ok 27103
179: ok 27104
179: ok 27105
179: ok 27106
179: ok 27107
179: ok 27108
179: ok 27109
179: ok 27110
179: ok 27111
179: ok 27112
179: ok 27113
179: ok 27114
179: ok 27115
179: ok 27116
179: ok 27117
179: ok 27118
179: ok 27119
179: ok 27120
179: ok 27121
179: ok 27122
179: ok 27123
179: ok 27124
179: ok 27125
179: ok 27126
179: ok 27127
179: ok 27128
179: ok 27129
179: ok 27130
179: ok 27131
179: ok 27132
179: ok 27133
179: ok 27134
179: ok 27135
179: ok 27136
179: ok 27137
179: ok 27138
179: ok 27139
179: ok 27140
179: ok 27141
179: ok 27142
179: ok 27143
179: ok 27144
179: ok 27145
179: ok 27146
179: ok 27147
179: ok 27148
179: ok 27149
179: ok 27150
179: ok 27151
179: ok 27152
179: ok 27153
179: ok 27154
179: ok 27155
179: ok 27156
179: ok 27157
179: ok 27158
179: ok 27159
179: ok 27160
179: ok 27161
179: ok 27162
179: ok 27163
179: ok 27164
179: ok 27165
179: ok 27166
179: ok 27167
179: ok 27168
179: ok 27169
179: ok 27170
179: ok 27171
179: ok 27172
179: ok 27173
179: ok 27174
179: ok 27175
179: ok 27176
179: ok 27177
179: ok 27178
179: ok 27179
179: ok 27180
179: ok 27181
179: ok 27182
179: ok 27183
179: ok 27184
179: ok 27185
179: ok 27186
179: ok 27187
179: ok 27188
179: ok 27189
179: ok 27190
179: ok 27191
179: ok 27192
179: ok 27193
179: ok 27194
179: ok 27195
179: ok 27196
179: ok 27197
179: ok 27198
179: ok 27199
179: ok 27200
179: ok 27201
179: ok 27202
179: ok 27203
179: ok 27204
179: ok 27205
179: ok 27206
179: ok 27207
179: ok 27208
179: ok 27209
179: ok 27210
179: ok 27211
179: ok 27212
179: ok 27213
179: ok 27214
179: ok 27215
179: ok 27216
179: ok 27217
179: ok 27218
179: ok 27219
179: ok 27220
179: ok 27221
179: ok 27222
179: ok 27223
179: ok 27224
179: ok 27225
179: ok 27226
179: ok 27227
179: ok 27228
179: ok 27229
179: ok 27230
179: ok 27231
179: ok 27232
179: ok 27233
179: ok 27234
179: ok 27235
179: ok 27236
179: ok 27237
179: ok 27238
179: ok 27239
179: ok 27240
179: ok 27241
179: ok 27242
179: ok 27243
179: ok 27244
179: ok 27245
179: ok 27246
179: ok 27247
179: ok 27248
179: ok 27249
179: ok 27250
179: ok 27251
179: ok 27252
179: ok 27253
179: ok 27254
179: ok 27255
179: ok 27256
179: ok 27257
179: ok 27258
179: ok 27259
179: ok 27260
179: ok 27261
179: ok 27262
179: ok 27263
179: ok 27264
179: ok 27265
179: ok 27266
179: ok 27267
179: ok 27268
179: ok 27269
179: ok 27270
179: ok 27271
179: ok 27272
179: ok 27273
179: ok 27274
179: ok 27275
179: ok 27276
179: ok 27277
179: ok 27278
179: ok 27279
179: ok 27280
179: ok 27281
179: ok 27282
179: ok 27283
179: ok 27284
179: ok 27285
179: ok 27286
179: ok 27287
179: ok 27288
179: ok 27289
179: ok 27290
179: ok 27291
179: ok 27292
179: ok 27293
179: ok 27294
179: ok 27295
179: ok 27296
179: ok 27297
179: ok 27298
179: ok 27299
179: ok 27300
179: ok 27301
179: ok 27302
179: ok 27303
179: ok 27304
179: ok 27305
179: ok 27306
179: ok 27307
179: ok 27308
179: ok 27309
179: ok 27310
179: ok 27311
179: ok 27312
179: ok 27313
179: ok 27314
179: ok 27315
179: ok 27316
179: ok 27317
179: ok 27318
179: ok 27319
179: ok 27320
179: ok 27321
179: ok 27322
179: ok 27323
179: ok 27324
179: ok 27325
179: ok 27326
179: ok 27327
179: ok 27328
179: ok 27329
179: ok 27330
179: ok 27331
179: ok 27332
179: ok 27333
179: ok 27334
179: ok 27335
179: ok 27336
179: ok 27337
179: ok 27338
179: ok 27339
179: ok 27340
179: ok 27341
179: ok 27342
179: ok 27343
179: ok 27344
179: ok 27345
179: ok 27346
179: ok 27347
179: ok 27348
179: ok 27349
179: ok 27350
179: ok 27351
179: ok 27352
179: ok 27353
179: ok 27354
179: ok 27355
179: ok 27356
179: ok 27357
179: ok 27358
179: ok 27359
179: ok 27360
179: ok 27361
179: ok 27362
179: ok 27363
179: ok 27364
179: ok 27365
179: ok 27366
179: ok 27367
179: ok 27368
179: ok 27369
179: ok 27370
179: ok 27371
179: ok 27372
179: ok 27373
179: ok 27374
179: ok 27375
179: ok 27376
179: ok 27377
179: ok 27378
179: ok 27379
179: ok 27380
179: ok 27381
179: ok 27382
179: ok 27383
179: ok 27384
179: ok 27385
179: ok 27386
179: ok 27387
179: ok 27388
179: ok 27389
179: ok 27390
179: ok 27391
179: ok 27392
179: ok 27393
179: ok 27394
179: ok 27395
179: ok 27396
179: ok 27397
179: ok 27398
179: ok 27399
179: ok 27400
179: ok 27401
179: ok 27402
179: ok 27403
179: ok 27404
179: ok 27405
179: ok 27406
179: ok 27407
179: ok 27408
179: ok 27409
179: ok 27410
179: ok 27411
179: ok 27412
179: ok 27413
179: ok 27414
179: ok 27415
179: ok 27416
179: ok 27417
179: ok 27418
179: ok 27419
179: ok 27420
179: ok 27421
179: ok 27422
179: ok 27423
179: ok 27424
179: ok 27425
179: ok 27426
179: ok 27427
179: ok 27428
179: ok 27429
179: ok 27430
179: ok 27431
179: ok 27432
179: ok 27433
179: ok 27434
179: ok 27435
179: ok 27436
179: ok 27437
179: ok 27438
179: ok 27439
179: ok 27440
179: ok 27441
179: ok 27442
179: ok 27443
179: ok 27444
179: ok 27445
179: ok 27446
179: ok 27447
179: ok 27448
179: ok 27449
179: ok 27450
179: ok 27451
179: ok 27452
179: ok 27453
179: ok 27454
179: ok 27455
179: ok 27456
179: ok 27457
179: ok 27458
179: ok 27459
179: ok 27460
179: ok 27461
179: ok 27462
179: ok 27463
179: ok 27464
179: ok 27465
179: ok 27466
179: ok 27467
179: ok 27468
179: ok 27469
179: ok 27470
179: ok 27471
179: ok 27472
179: ok 27473
179: ok 27474
179: ok 27475
179: ok 27476
179: ok 27477
179: ok 27478
179: ok 27479
179: ok 27480
179: ok 27481
179: ok 27482
179: ok 27483
179: ok 27484
179: ok 27485
179: ok 27486
179: ok 27487
179: ok 27488
179: ok 27489
179: ok 27490
179: ok 27491
179: ok 27492
179: ok 27493
179: ok 27494
179: ok 27495
179: ok 27496
179: ok 27497
179: ok 27498
179: ok 27499
179: ok 27500
179: ok 27501
179: ok 27502
179: ok 27503
179: ok 27504
179: ok 27505
179: ok 27506
179: ok 27507
179: ok 27508
179: ok 27509
179: ok 27510
179: ok 27511
179: ok 27512
179: ok 27513
179: ok 27514
179: ok 27515
179: ok 27516
179: ok 27517
179: ok 27518
179: ok 27519
179: ok 27520
179: ok 27521
179: ok 27522
179: ok 27523
179: ok 27524
179: ok 27525
179: ok 27526
179: ok 27527
179: ok 27528
179: ok 27529
179: ok 27530
179: ok 27531
179: ok 27532
179: ok 27533
179: ok 27534
179: ok 27535
179: ok 27536
179: ok 27537
179: ok 27538
179: ok 27539
179: ok 27540
179: ok 27541
179: ok 27542
179: ok 27543
179: ok 27544
179: ok 27545
179: ok 27546
179: ok 27547
179: ok 27548
179: ok 27549
179: ok 27550
179: ok 27551
179: ok 27552
179: ok 27553
179: ok 27554
179: ok 27555
179: ok 27556
179: ok 27557
179: ok 27558
179: ok 27559
179: ok 27560
179: ok 27561
179: ok 27562
179: ok 27563
179: ok 27564
179: ok 27565
179: ok 27566
179: ok 27567
179: ok 27568
179: ok 27569
179: ok 27570
179: ok 27571
179: ok 27572
179: ok 27573
179: ok 27574
179: ok 27575
179: ok 27576
179: ok 27577
179: ok 27578
179: ok 27579
179: ok 27580
179: ok 27581
179: ok 27582
179: ok 27583
179: ok 27584
179: ok 27585
179: ok 27586
179: ok 27587
179: ok 27588
179: ok 27589
179: ok 27590
179: ok 27591
179: ok 27592
179: ok 27593
179: ok 27594
179: ok 27595
179: ok 27596
179: ok 27597
179: ok 27598
179: ok 27599
179: ok 27600
179: ok 27601
179: ok 27602
179: ok 27603
179: ok 27604
179: ok 27605
179: ok 27606
179: ok 27607
179: ok 27608
179: ok 27609
179: ok 27610
179: ok 27611
179: ok 27612
179: ok 27613
179: ok 27614
179: ok 27615
179: ok 27616
179: ok 27617
179: ok 27618
179: ok 27619
179: ok 27620
179: ok 27621
179: ok 27622
179: ok 27623
179: ok 27624
179: ok 27625
179: ok 27626
179: ok 27627
179: ok 27628
179: ok 27629
179: ok 27630
179: ok 27631
179: ok 27632
179: ok 27633
179: ok 27634
179: ok 27635
179: ok 27636
179: ok 27637
179: ok 27638
179: ok 27639
179: ok 27640
179: ok 27641
179: ok 27642
179: ok 27643
179: ok 27644
179: ok 27645
179: ok 27646
179: ok 27647
179: ok 27648
179: ok 27649
179: ok 27650
179: ok 27651
179: ok 27652
179: ok 27653
179: ok 27654
179: ok 27655
179: ok 27656
179: ok 27657
179: ok 27658
179: ok 27659
179: ok 27660
179: ok 27661
179: ok 27662
179: ok 27663
179: ok 27664
179: ok 27665
179: ok 27666
179: ok 27667
179: ok 27668
179: ok 27669
179: ok 27670
179: ok 27671
179: ok 27672
179: ok 27673
179: ok 27674
179: ok 27675
179: ok 27676
179: ok 27677
179: ok 27678
179: ok 27679
179: ok 27680
179: ok 27681
179: ok 27682
179: ok 27683
179: ok 27684
179: ok 27685
179: ok 27686
179: ok 27687
179: ok 27688
179: ok 27689
179: ok 27690
179: ok 27691
179: ok 27692
179: ok 27693
179: ok 27694
179: ok 27695
179: ok 27696
179: ok 27697
179: ok 27698
179: ok 27699
179: ok 27700
179: ok 27701
179: ok 27702
179: ok 27703
179: ok 27704
179: ok 27705
179: ok 27706
179: ok 27707
179: ok 27708
179: ok 27709
179: ok 27710
179: ok 27711
179: ok 27712
179: ok 27713
179: ok 27714
179: ok 27715
179: ok 27716
179: ok 27717
179: ok 27718
179: ok 27719
179: ok 27720
179: ok 27721
179: ok 27722
179: ok 27723
179: ok 27724
179: ok 27725
179: ok 27726
179: ok 27727
179: ok 27728
179: ok 27729
179: ok 27730
179: ok 27731
179: ok 27732
179: ok 27733
179: ok 27734
179: ok 27735
179: ok 27736
179: ok 27737
179: ok 27738
179: ok 27739
179: ok 27740
179: ok 27741
179: ok 27742
179: ok 27743
179: ok 27744
179: ok 27745
179: ok 27746
179: ok 27747
179: ok 27748
179: ok 27749
179: ok 27750
179: ok 27751
179: ok 27752
179: ok 27753
179: ok 27754
179: ok 27755
179: ok 27756
179: ok 27757
179: ok 27758
179: ok 27759
179: ok 27760
179: ok 27761
179: ok 27762
179: ok 27763
179: ok 27764
179: ok 27765
179: ok 27766
179: ok 27767
179: ok 27768
179: ok 27769
179: ok 27770
179: ok 27771
179: ok 27772
179: ok 27773
179: ok 27774
179: ok 27775
179: ok 27776
179: ok 27777
179: ok 27778
179: ok 27779
179: ok 27780
179: ok 27781
179: ok 27782
179: ok 27783
179: ok 27784
179: ok 27785
179: ok 27786
179: ok 27787
179: ok 27788
179: ok 27789
179: ok 27790
179: ok 27791
179: ok 27792
179: ok 27793
179: ok 27794
179: ok 27795
179: ok 27796
179: ok 27797
179: ok 27798
179: ok 27799
179: ok 27800
179: ok 27801
179: ok 27802
179: ok 27803
179: ok 27804
179: ok 27805
179: ok 27806
179: ok 27807
179: ok 27808
179: ok 27809
179: ok 27810
179: ok 27811
179: ok 27812
179: ok 27813
179: ok 27814
179: ok 27815
179: ok 27816
179: ok 27817
179: ok 27818
179: ok 27819
179: ok 27820
179: ok 27821
179: ok 27822
179: ok 27823
179: ok 27824
179: ok 27825
179: ok 27826
179: ok 27827
179: ok 27828
179: ok 27829
179: ok 27830
179: ok 27831
179: ok 27832
179: ok 27833
179: ok 27834
179: ok 27835
179: ok 27836
179: ok 27837
179: ok 27838
179: ok 27839
179: ok 27840
179: ok 27841
179: ok 27842
179: ok 27843
179: ok 27844
179: ok 27845
179: ok 27846
179: ok 27847
179: ok 27848
179: ok 27849
179: ok 27850
179: ok 27851
179: ok 27852
179: ok 27853
179: ok 27854
179: ok 27855
179: ok 27856
179: ok 27857
179: ok 27858
179: ok 27859
179: ok 27860
179: ok 27861
179: ok 27862
179: ok 27863
179: ok 27864
179: ok 27865
179: ok 27866
179: ok 27867
179: ok 27868
179: ok 27869
179: ok 27870
179: ok 27871
179: ok 27872
179: ok 27873
179: ok 27874
179: ok 27875
179: ok 27876
179: ok 27877
179: ok 27878
179: ok 27879
179: ok 27880
179: ok 27881
179: ok 27882
179: ok 27883
179: ok 27884
179: ok 27885
179: ok 27886
179: ok 27887
179: ok 27888
179: ok 27889
179: ok 27890
179: ok 27891
179: ok 27892
179: ok 27893
179: ok 27894
179: ok 27895
179: ok 27896
179: ok 27897
179: ok 27898
179: ok 27899
179: ok 27900
179: ok 27901
179: ok 27902
179: ok 27903
179: ok 27904
179: ok 27905
179: ok 27906
179: ok 27907
179: ok 27908
179: ok 27909
179: ok 27910
179: ok 27911
179: ok 27912
179: ok 27913
179: ok 27914
179: ok 27915
179: ok 27916
179: ok 27917
179: ok 27918
179: ok 27919
179: ok 27920
179: ok 27921
179: ok 27922
179: ok 27923
179: ok 27924
179: ok 27925
179: ok 27926
179: ok 27927
179: ok 27928
179: ok 27929
179: ok 27930
179: ok 27931
179: ok 27932
179: ok 27933
179: ok 27934
179: ok 27935
179: ok 27936
179: ok 27937
179: ok 27938
179: ok 27939
179: ok 27940
179: ok 27941
179: ok 27942
179: ok 27943
179: ok 27944
179: ok 27945
179: ok 27946
179: ok 27947
179: ok 27948
179: ok 27949
179: ok 27950
179: ok 27951
179: ok 27952
179: ok 27953
179: ok 27954
179: ok 27955
179: ok 27956
179: ok 27957
179: ok 27958
179: ok 27959
179: ok 27960
179: ok 27961
179: ok 27962
179: ok 27963
179: ok 27964
179: ok 27965
179: ok 27966
179: ok 27967
179: ok 27968
179: ok 27969
179: ok 27970
179: ok 27971
179: ok 27972
179: ok 27973
179: ok 27974
179: ok 27975
179: ok 27976
179: ok 27977
179: ok 27978
179: ok 27979
179: ok 27980
179: ok 27981
179: ok 27982
179: ok 27983
179: ok 27984
179: ok 27985
179: ok 27986
179: ok 27987
179: ok 27988
179: ok 27989
179: ok 27990
179: ok 27991
179: ok 27992
179: ok 27993
179: ok 27994
179: ok 27995
179: ok 27996
179: ok 27997
179: ok 27998
179: ok 27999
179: ok 28000
179: ok 28001
179: ok 28002
179: ok 28003
179: ok 28004
179: ok 28005
179: ok 28006
179: ok 28007
179: ok 28008
179: ok 28009
179: ok 28010
179: ok 28011
179: ok 28012
179: ok 28013
179: ok 28014
179: ok 28015
179: ok 28016
179: ok 28017
179: ok 28018
179: ok 28019
179: ok 28020
179: ok 28021
179: ok 28022
179: ok 28023
179: ok 28024
179: ok 28025
179: ok 28026
179: ok 28027
179: ok 28028
179: ok 28029
179: ok 28030
179: ok 28031
179: ok 28032
179: ok 28033
179: ok 28034
179: ok 28035
179: ok 28036
179: ok 28037
179: ok 28038
179: ok 28039
179: ok 28040
179: ok 28041
179: ok 28042
179: ok 28043
179: ok 28044
179: ok 28045
179: ok 28046
179: ok 28047
179: ok 28048
179: ok 28049
179: ok 28050
179: ok 28051
179: ok 28052
179: ok 28053
179: ok 28054
179: ok 28055
179: ok 28056
179: ok 28057
179: ok 28058
179: ok 28059
179: ok 28060
179: ok 28061
179: ok 28062
179: ok 28063
179: ok 28064
179: ok 28065
179: ok 28066
179: ok 28067
179: ok 28068
179: ok 28069
179: ok 28070
179: ok 28071
179: ok 28072
179: ok 28073
179: ok 28074
179: ok 28075
179: ok 28076
179: ok 28077
179: ok 28078
179: ok 28079
179: ok 28080
179: ok 28081
179: ok 28082
179: ok 28083
179: ok 28084
179: ok 28085
179: ok 28086
179: ok 28087
179: ok 28088
179: ok 28089
179: ok 28090
179: ok 28091
179: ok 28092
179: ok 28093
179: ok 28094
179: ok 28095
179: ok 28096
179: ok 28097
179: ok 28098
179: ok 28099
179: ok 28100
179: ok 28101
179: ok 28102
179: ok 28103
179: ok 28104
179: ok 28105
179: ok 28106
179: ok 28107
179: ok 28108
179: ok 28109
179: ok 28110
179: ok 28111
179: ok 28112
179: ok 28113
179: ok 28114
179: ok 28115
179: ok 28116
179: ok 28117
179: ok 28118
179: ok 28119
179: ok 28120
179: ok 28121
179: ok 28122
179: ok 28123
179: ok 28124
179: ok 28125
179: ok 28126
179: ok 28127
179: ok 28128
179: ok 28129
179: ok 28130
179: ok 28131
179: ok 28132
179: ok 28133
179: ok 28134
179: ok 28135
179: ok 28136
179: ok 28137
179: ok 28138
179: ok 28139
179: ok 28140
179: ok 28141
179: ok 28142
179: ok 28143
179: ok 28144
179: ok 28145
179: ok 28146
179: ok 28147
179: ok 28148
179: ok 28149
179: ok 28150
179: ok 28151
179: ok 28152
179: ok 28153
179: ok 28154
179: ok 28155
179: ok 28156
179: ok 28157
179: ok 28158
179: ok 28159
179: ok 28160
179: ok 28161
179: ok 28162
179: ok 28163
179: ok 28164
179: ok 28165
179: ok 28166
179: ok 28167
179: ok 28168
179: ok 28169
179: ok 28170
179: ok 28171
179: ok 28172
179: ok 28173
179: ok 28174
179: ok 28175
179: ok 28176
179: ok 28177
179: ok 28178
179: ok 28179
179: ok 28180
179: ok 28181
179: ok 28182
179: ok 28183
179: ok 28184
179: ok 28185
179: ok 28186
179: ok 28187
179: ok 28188
179: ok 28189
179: ok 28190
179: ok 28191
179: ok 28192
179: ok 28193
179: ok 28194
179: ok 28195
179: ok 28196
179: ok 28197
179: ok 28198
179: ok 28199
179: ok 28200
179: ok 28201
179: ok 28202
179: ok 28203
179: ok 28204
179: ok 28205
179: ok 28206
179: ok 28207
179: ok 28208
179: ok 28209
179: ok 28210
179: ok 28211
179: ok 28212
179: ok 28213
179: ok 28214
179: ok 28215
179: ok 28216
179: ok 28217
179: ok 28218
179: ok 28219
179: ok 28220
179: ok 28221
179: ok 28222
179: ok 28223
179: ok 28224
179: ok 28225
179: ok 28226
179: ok 28227
179: ok 28228
179: ok 28229
179: ok 28230
179: ok 28231
179: ok 28232
179: ok 28233
179: ok 28234
179: ok 28235
179: ok 28236
179: ok 28237
179: ok 28238
179: ok 28239
179: ok 28240
179: ok 28241
179: ok 28242
179: ok 28243
179: ok 28244
179: ok 28245
179: ok 28246
179: ok 28247
179: ok 28248
179: ok 28249
179: ok 28250
179: ok 28251
179: ok 28252
179: ok 28253
179: ok 28254
179: ok 28255
179: ok 28256
179: ok 28257
179: ok 28258
179: ok 28259
179: ok 28260
179: ok 28261
179: ok 28262
179: ok 28263
179: ok 28264
179: ok 28265
179: ok 28266
179: ok 28267
179: ok 28268
179: ok 28269
179: ok 28270
179: ok 28271
179: ok 28272
179: ok 28273
179: ok 28274
179: ok 28275
179: ok 28276
179: ok 28277
179: ok 28278
179: ok 28279
179: ok 28280
179: ok 28281
179: ok 28282
179: ok 28283
179: ok 28284
179: ok 28285
179: ok 28286
179: ok 28287
179: ok 28288
179: ok 28289
179: ok 28290
179: ok 28291
179: ok 28292
179: ok 28293
179: ok 28294
179: ok 28295
179: ok 28296
179: ok 28297
179: ok 28298
179: ok 28299
179: ok 28300
179: ok 28301
179: ok 28302
179: ok 28303
179: ok 28304
179: ok 28305
179: ok 28306
179: ok 28307
179: ok 28308
179: ok 28309
179: ok 28310
179: ok 28311
179: ok 28312
179: ok 28313
179: ok 28314
179: ok 28315
179: ok 28316
179: ok 28317
179: ok 28318
179: ok 28319
179: ok 28320
179: ok 28321
179: ok 28322
179: ok 28323
179: ok 28324
179: ok 28325
179: ok 28326
179: ok 28327
179: ok 28328
179: ok 28329
179: ok 28330
179: ok 28331
179: ok 28332
179: ok 28333
179: ok 28334
179: ok 28335
179: ok 28336
179: ok 28337
179: ok 28338
179: ok 28339
179: ok 28340
179: ok 28341
179: ok 28342
179: ok 28343
179: ok 28344
179: ok 28345
179: ok 28346
179: ok 28347
179: ok 28348
179: ok 28349
179: ok 28350
179: ok 28351
179: ok 28352
179: ok 28353
179: ok 28354
179: ok 28355
179: ok 28356
179: ok 28357
179: ok 28358
179: ok 28359
179: ok 28360
179: ok 28361
179: ok 28362
179: ok 28363
179: ok 28364
179: ok 28365
179: ok 28366
179: ok 28367
179: ok 28368
179: ok 28369
179: ok 28370
179: ok 28371
179: ok 28372
179: ok 28373
179: ok 28374
179: ok 28375
179: ok 28376
179: ok 28377
179: ok 28378
179: ok 28379
179: ok 28380
179: ok 28381
179: ok 28382
179: ok 28383
179: ok 28384
179: ok 28385
179: ok 28386
179: ok 28387
179: ok 28388
179: ok 28389
179: ok 28390
179: ok 28391
179: ok 28392
179: ok 28393
179: ok 28394
179: ok 28395
179: ok 28396
179: ok 28397
179: ok 28398
179: ok 28399
179: ok 28400
179: ok 28401
179: ok 28402
179: ok 28403
179: ok 28404
179: ok 28405
179: ok 28406
179: ok 28407
179: ok 28408
179: ok 28409
179: ok 28410
179: ok 28411
179: ok 28412
179: ok 28413
179: ok 28414
179: ok 28415
179: ok 28416
179: ok 28417
179: ok 28418
179: ok 28419
179: ok 28420
179: ok 28421
179: ok 28422
179: ok 28423
179: ok 28424
179: ok 28425
179: ok 28426
179: ok 28427
179: ok 28428
179: ok 28429
179: ok 28430
179: ok 28431
179: ok 28432
179: ok 28433
179: ok 28434
179: ok 28435
179: ok 28436
179: ok 28437
179: ok 28438
179: ok 28439
179: ok 28440
179: ok 28441
179: ok 28442
179: ok 28443
179: ok 28444
179: ok 28445
179: ok 28446
179: ok 28447
179: ok 28448
179: ok 28449
179: ok 28450
179: ok 28451
179: ok 28452
179: ok 28453
179: ok 28454
179: ok 28455
179: ok 28456
179: ok 28457
179: ok 28458
179: ok 28459
179: ok 28460
179: ok 28461
179: ok 28462
179: ok 28463
179: ok 28464
179: ok 28465
179: ok 28466
179: ok 28467
179: ok 28468
179: ok 28469
179: ok 28470
179: ok 28471
179: ok 28472
179: ok 28473
179: ok 28474
179: ok 28475
179: ok 28476
179: ok 28477
179: ok 28478
179: ok 28479
179: ok 28480
179: ok 28481
179: ok 28482
179: ok 28483
179: ok 28484
179: ok 28485
179: ok 28486
179: ok 28487
179: ok 28488
179: ok 28489
179: ok 28490
179: ok 28491
179: ok 28492
179: ok 28493
179: ok 28494
179: ok 28495
179: ok 28496
179: ok 28497
179: ok 28498
179: ok 28499
179: ok 28500
179: ok 28501
179: ok 28502
179: ok 28503
179: ok 28504
179: ok 28505
179: ok 28506
179: ok 28507
179: ok 28508
179: ok 28509
179: ok 28510
179: ok 28511
179: ok 28512
179: ok 28513
179: ok 28514
179: ok 28515
179: ok 28516
179: ok 28517
179: ok 28518
179: ok 28519
179: ok 28520
179: ok 28521
179: ok 28522
179: ok 28523
179: ok 28524
179: ok 28525
179: ok 28526
179: ok 28527
179: ok 28528
179: ok 28529
179: ok 28530
179: ok 28531
179: ok 28532
179: ok 28533
179: ok 28534
179: ok 28535
179: ok 28536
179: ok 28537
179: ok 28538
179: ok 28539
179: ok 28540
179: ok 28541
179: ok 28542
179: ok 28543
179: ok 28544
179: ok 28545
179: ok 28546
179: ok 28547
179: ok 28548
179: ok 28549
179: ok 28550
179: ok 28551
179: ok 28552
179: ok 28553
179: ok 28554
179: ok 28555
179: ok 28556
179: ok 28557
179: ok 28558
179: ok 28559
179: ok 28560
179: ok 28561
179: ok 28562
179: ok 28563
179: ok 28564
179: ok 28565
179: ok 28566
179: ok 28567
179: ok 28568
179: ok 28569
179: ok 28570
179: ok 28571
179: ok 28572
179: ok 28573
179: ok 28574
179: ok 28575
179: ok 28576
179: ok 28577
179: ok 28578
179: ok 28579
179: ok 28580
179: ok 28581
179: ok 28582
179: ok 28583
179: ok 28584
179: ok 28585
179: ok 28586
179: ok 28587
179: ok 28588
179: ok 28589
179: ok 28590
179: ok 28591
179: ok 28592
179: ok 28593
179: ok 28594
179: ok 28595
179: ok 28596
179: ok 28597
179: ok 28598
179: ok 28599
179: ok 28600
179: ok 28601
179: ok 28602
179: ok 28603
179: ok 28604
179: ok 28605
179: ok 28606
179: ok 28607
179: ok 28608
179: ok 28609
179: ok 28610
179: ok 28611
179: ok 28612
179: ok 28613
179: ok 28614
179: ok 28615
179: ok 28616
179: ok 28617
179: ok 28618
179: ok 28619
179: ok 28620
179: ok 28621
179: ok 28622
179: ok 28623
179: ok 28624
179: ok 28625
179: ok 28626
179: ok 28627
179: ok 28628
179: ok 28629
179: ok 28630
179: ok 28631
179: ok 28632
179: ok 28633
179: ok 28634
179: ok 28635
179: ok 28636
179: ok 28637
179: ok 28638
179: ok 28639
179: ok 28640
179: ok 28641
179: ok 28642
179: ok 28643
179: ok 28644
179: ok 28645
179: ok 28646
179: ok 28647
179: ok 28648
179: ok 28649
179: ok 28650
179: ok 28651
179: ok 28652
179: ok 28653
179: ok 28654
179: ok 28655
179: ok 28656
179: ok 28657
179: ok 28658
179: ok 28659
179: ok 28660
179: ok 28661
179: ok 28662
179: ok 28663
179: ok 28664
179: ok 28665
179: ok 28666
179: ok 28667
179: ok 28668
179: ok 28669
179: ok 28670
179: ok 28671
179: ok 28672
179: ok 28673
179: ok 28674
179: ok 28675
179: ok 28676
179: ok 28677
179: ok 28678
179: ok 28679
179: ok 28680
179: ok 28681
179: ok 28682
179: ok 28683
179: ok 28684
179: ok 28685
179: ok 28686
179: ok 28687
179: ok 28688
179: ok 28689
179: ok 28690
179: ok 28691
179: ok 28692
179: ok 28693
179: ok 28694
179: ok 28695
179: ok 28696
179: ok 28697
179: ok 28698
179: ok 28699
179: ok 28700
179: ok 28701
179: ok 28702
179: ok 28703
179: ok 28704
179: ok 28705
179: ok 28706
179: ok 28707
179: ok 28708
179: ok 28709
179: ok 28710
179: ok 28711
179: ok 28712
179: ok 28713
179: ok 28714
179: ok 28715
179: ok 28716
179: ok 28717
179: ok 28718
179: ok 28719
179: ok 28720
179: ok 28721
179: ok 28722
179: ok 28723
179: ok 28724
179: ok 28725
179: ok 28726
179: ok 28727
179: ok 28728
179: ok 28729
179: ok 28730
179: ok 28731
179: ok 28732
179: ok 28733
179: ok 28734
179: ok 28735
179: ok 28736
179: ok 28737
179: ok 28738
179: ok 28739
179: ok 28740
179: ok 28741
179: ok 28742
179: ok 28743
179: ok 28744
179: ok 28745
179: ok 28746
179: ok 28747
179: ok 28748
179: ok 28749
179: ok 28750
179: ok 28751
179: ok 28752
179: ok 28753
179: ok 28754
179: ok 28755
179: ok 28756
179: ok 28757
179: ok 28758
179: ok 28759
179: ok 28760
179: ok 28761
179: ok 28762
179: ok 28763
179: ok 28764
179: ok 28765
179: ok 28766
179: ok 28767
179: ok 28768
179: ok 28769
179: ok 28770
179: ok 28771
179: ok 28772
179: ok 28773
179: ok 28774
179: ok 28775
179: ok 28776
179: ok 28777
179: ok 28778
179: ok 28779
179: ok 28780
179: ok 28781
179: ok 28782
179: ok 28783
179: ok 28784
179: ok 28785
179: ok 28786
179: ok 28787
179: ok 28788
179: ok 28789
179: ok 28790
179: ok 28791
179: ok 28792
179: ok 28793
179: ok 28794
179: ok 28795
179: ok 28796
179: ok 28797
179: ok 28798
179: ok 28799
179: ok 28800
179: ok 28801
179: ok 28802
179: ok 28803
179: ok 28804
179: ok 28805
179: ok 28806
179: ok 28807
179: ok 28808
179: ok 28809
179: ok 28810
179: ok 28811
179: ok 28812
179: ok 28813
179: ok 28814
179: ok 28815
179: ok 28816
179: ok 28817
179: ok 28818
179: ok 28819
179: ok 28820
179: ok 28821
179: ok 28822
179: ok 28823
179: ok 28824
179: ok 28825
179: ok 28826
179: ok 28827
179: ok 28828
179: ok 28829
179: ok 28830
179: ok 28831
179: ok 28832
179: ok 28833
179: ok 28834
179: ok 28835
179: ok 28836
179: ok 28837
179: ok 28838
179: ok 28839
179: ok 28840
179: ok 28841
179: ok 28842
179: ok 28843
179: ok 28844
179: ok 28845
179: ok 28846
179: ok 28847
179: ok 28848
179: ok 28849
179: ok 28850
179: ok 28851
179: ok 28852
179: ok 28853
179: ok 28854
179: ok 28855
179: ok 28856
179: ok 28857
179: ok 28858
179: ok 28859
179: ok 28860
179: ok 28861
179: ok 28862
179: ok 28863
179: ok 28864
179: ok 28865
179: ok 28866
179: ok 28867
179: ok 28868
179: ok 28869
179: ok 28870
179: ok 28871
179: ok 28872
179: ok 28873
179: ok 28874
179: ok 28875
179: ok 28876
179: ok 28877
179: ok 28878
179: ok 28879
179: ok 28880
179: ok 28881
179: ok 28882
179: ok 28883
179: ok 28884
179: ok 28885
179: ok 28886
179: ok 28887
179: ok 28888
179: ok 28889
179: ok 28890
179: ok 28891
179: ok 28892
179: ok 28893
179: ok 28894
179: ok 28895
179: ok 28896
179: ok 28897
179: ok 28898
179: ok 28899
179: ok 28900
179: ok 28901
179: ok 28902
179: ok 28903
179: ok 28904
179: ok 28905
179: ok 28906
179: ok 28907
179: ok 28908
179: ok 28909
179: ok 28910
179: ok 28911
179: ok 28912
179: ok 28913
179: ok 28914
179: ok 28915
179: ok 28916
179: ok 28917
179: ok 28918
179: ok 28919
179: ok 28920
179: ok 28921
179: ok 28922
179: ok 28923
179: ok 28924
179: ok 28925
179: ok 28926
179: ok 28927
179: ok 28928
179: ok 28929
179: ok 28930
179: ok 28931
179: ok 28932
179: ok 28933
179: ok 28934
179: ok 28935
179: ok 28936
179: ok 28937
179: ok 28938
179: ok 28939
179: ok 28940
179: ok 28941
179: ok 28942
179: ok 28943
179: ok 28944
179: ok 28945
179: ok 28946
179: ok 28947
179: ok 28948
179: ok 28949
179: ok 28950
179: ok 28951
179: ok 28952
179: ok 28953
179: ok 28954
179: ok 28955
179: ok 28956
179: ok 28957
179: ok 28958
179: ok 28959
179: ok 28960
179: ok 28961
179: ok 28962
179: ok 28963
179: ok 28964
179: ok 28965
179: ok 28966
179: ok 28967
179: ok 28968
179: ok 28969
179: ok 28970
179: ok 28971
179: ok 28972
179: ok 28973
179: ok 28974
179: ok 28975
179: ok 28976
179: ok 28977
179: ok 28978
179: ok 28979
179: ok 28980
179: ok 28981
179: ok 28982
179: ok 28983
179: ok 28984
179: ok 28985
179: ok 28986
179: ok 28987
179: ok 28988
179: ok 28989
179: ok 28990
179: ok 28991
179: ok 28992
179: ok 28993
179: ok 28994
179: ok 28995
179: ok 28996
179: ok 28997
179: ok 28998
179: ok 28999
179: ok 29000
179: ok 29001
179: ok 29002
179: ok 29003
179: ok 29004
179: ok 29005
179: ok 29006
179: ok 29007
179: ok 29008
179: ok 29009
179: ok 29010
179: ok 29011
179: ok 29012
179: ok 29013
179: ok 29014
179: ok 29015
179: ok 29016
179: ok 29017
179: ok 29018
179: ok 29019
179: ok 29020
179: ok 29021
179: ok 29022
179: ok 29023
179: ok 29024
179: ok 29025
179: ok 29026
179: ok 29027
179: ok 29028
179: ok 29029
179: ok 29030
179: ok 29031
179: ok 29032
179: ok 29033
179: ok 29034
179: ok 29035
179: ok 29036
179: ok 29037
179: ok 29038
179: ok 29039
179: ok 29040
179: ok 29041
179: ok 29042
179: ok 29043
179: ok 29044
179: ok 29045
179: ok 29046
179: ok 29047
179: ok 29048
179: ok 29049
179: ok 29050
179: ok 29051
179: ok 29052
179: ok 29053
179: ok 29054
179: ok 29055
179: ok 29056
179: ok 29057
179: ok 29058
179: ok 29059
179: ok 29060
179: ok 29061
179: ok 29062
179: ok 29063
179: ok 29064
179: ok 29065
179: ok 29066
179: ok 29067
179: ok 29068
179: ok 29069
179: ok 29070
179: ok 29071
179: ok 29072
179: ok 29073
179: ok 29074
179: ok 29075
179: ok 29076
179: ok 29077
179: ok 29078
179: ok 29079
179: ok 29080
179: ok 29081
179: ok 29082
179: ok 29083
179: ok 29084
179: ok 29085
179: ok 29086
179: ok 29087
179: ok 29088
179: ok 29089
179: ok 29090
179: ok 29091
179: ok 29092
179: ok 29093
179: ok 29094
179: ok 29095
179: ok 29096
179: ok 29097
179: ok 29098
179: ok 29099
179: ok 29100
179: ok 29101
179: ok 29102
179: ok 29103
179: ok 29104
179: ok 29105
179: ok 29106
179: ok 29107
179: ok 29108
179: ok 29109
179: ok 29110
179: ok 29111
179: ok 29112
179: ok 29113
179: ok 29114
179: ok 29115
179: ok 29116
179: ok 29117
179: ok 29118
179: ok 29119
179: ok 29120
179: ok 29121
179: ok 29122
179: ok 29123
179: ok 29124
179: ok 29125
179: ok 29126
179: ok 29127
179: ok 29128
179: ok 29129
179: ok 29130
179: ok 29131
179: ok 29132
179: ok 29133
179: ok 29134
179: ok 29135
179: ok 29136
179: ok 29137
179: ok 29138
179: ok 29139
179: ok 29140
179: ok 29141
179: ok 29142
179: ok 29143
179: ok 29144
179: ok 29145
179: ok 29146
179: ok 29147
179: ok 29148
179: ok 29149
179: ok 29150
179: ok 29151
179: ok 29152
179: ok 29153
179: ok 29154
179: ok 29155
179: ok 29156
179: ok 29157
179: ok 29158
179: ok 29159
179: ok 29160
179: ok 29161
179: ok 29162
179: ok 29163
179: ok 29164
179: ok 29165
179: ok 29166
179: ok 29167
179: ok 29168
179: ok 29169
179: ok 29170
179: ok 29171
179: ok 29172
179: ok 29173
179: ok 29174
179: ok 29175
179: ok 29176
179: ok 29177
179: ok 29178
179: ok 29179
179: ok 29180
179: ok 29181
179: ok 29182
179: ok 29183
179: ok 29184
179: ok 29185
179: ok 29186
179: ok 29187
179: ok 29188
179: ok 29189
179: ok 29190
179: ok 29191
179: ok 29192
179: ok 29193
179: ok 29194
179: ok 29195
179: ok 29196
179: ok 29197
179: ok 29198
179: ok 29199
179: ok 29200
179: ok 29201
179: ok 29202
179: ok 29203
179: ok 29204
179: ok 29205
179: ok 29206
179: ok 29207
179: ok 29208
179: ok 29209
179: ok 29210
179: ok 29211
179: ok 29212
179: ok 29213
179: ok 29214
179: ok 29215
179: ok 29216
179: ok 29217
179: ok 29218
179: ok 29219
179: ok 29220
179: ok 29221
179: ok 29222
179: ok 29223
179: ok 29224
179: ok 29225
179: ok 29226
179: ok 29227
179: ok 29228
179: ok 29229
179: ok 29230
179: ok 29231
179: ok 29232
179: ok 29233
179: ok 29234
179: ok 29235
179: ok 29236
179: ok 29237
179: ok 29238
179: ok 29239
179: ok 29240
179: ok 29241
179: ok 29242
179: ok 29243
179: ok 29244
179: ok 29245
179: ok 29246
179: ok 29247
179: ok 29248
179: ok 29249
179: ok 29250
179: ok 29251
179: ok 29252
179: ok 29253
179: ok 29254
179: ok 29255
179: ok 29256
179: ok 29257
179: ok 29258
179: ok 29259
179: ok 29260
179: ok 29261
179: ok 29262
179: ok 29263
179: ok 29264
179: ok 29265
179: ok 29266
179: ok 29267
179: ok 29268
179: ok 29269
179: ok 29270
179: ok 29271
179: ok 29272
179: ok 29273
179: ok 29274
179: ok 29275
179: ok 29276
179: ok 29277
179: ok 29278
179: ok 29279
179: ok 29280
179: ok 29281
179: ok 29282
179: ok 29283
179: ok 29284
179: ok 29285
179: ok 29286
179: ok 29287
179: ok 29288
179: ok 29289
179: ok 29290
179: ok 29291
179: ok 29292
179: ok 29293
179: ok 29294
179: ok 29295
179: ok 29296
179: ok 29297
179: ok 29298
179: ok 29299
179: ok 29300
179: ok 29301
179: ok 29302
179: ok 29303
179: ok 29304
179: ok 29305
179: ok 29306
179: ok 29307
179: ok 29308
179: ok 29309
179: ok 29310
179: ok 29311
179: ok 29312
179: ok 29313
179: ok 29314
179: ok 29315
179: ok 29316
179: ok 29317
179: ok 29318
179: ok 29319
179: ok 29320
179: ok 29321
179: ok 29322
179: ok 29323
179: ok 29324
179: ok 29325
179: ok 29326
179: ok 29327
179: ok 29328
179: ok 29329
179: ok 29330
179: ok 29331
179: ok 29332
179: ok 29333
179: ok 29334
179: ok 29335
179: ok 29336
179: ok 29337
179: ok 29338
179: ok 29339
179: ok 29340
179: ok 29341
179: ok 29342
179: ok 29343
179: ok 29344
179: ok 29345
179: ok 29346
179: ok 29347
179: ok 29348
179: ok 29349
179: ok 29350
179: ok 29351
179: ok 29352
179: ok 29353
179: ok 29354
179: ok 29355
179: ok 29356
179: ok 29357
179: ok 29358
179: ok 29359
179: ok 29360
179: ok 29361
179: ok 29362
179: ok 29363
179: ok 29364
179: ok 29365
179: ok 29366
179: ok 29367
179: ok 29368
179: ok 29369
179: ok 29370
179: ok 29371
179: ok 29372
179: ok 29373
179: ok 29374
179: ok 29375
179: ok 29376
179: ok 29377
179: ok 29378
179: ok 29379
179: ok 29380
179: ok 29381
179: ok 29382
179: ok 29383
179: ok 29384
179: ok 29385
179: ok 29386
179: ok 29387
179: ok 29388
179: ok 29389
179: ok 29390
179: ok 29391
179: ok 29392
179: ok 29393
179: ok 29394
179: ok 29395
179: ok 29396
179: ok 29397
179: ok 29398
179: ok 29399
179: ok 29400
179: ok 29401
179: ok 29402
179: ok 29403
179: ok 29404
179: ok 29405
179: ok 29406
179: ok 29407
179: ok 29408
179: ok 29409
179: ok 29410
179: ok 29411
179: ok 29412
179: ok 29413
179: ok 29414
179: ok 29415
179: ok 29416
179: ok 29417
179: ok 29418
179: ok 29419
179: ok 29420
179: ok 29421
179: ok 29422
179: ok 29423
179: ok 29424
179: ok 29425
179: ok 29426
179: ok 29427
179: ok 29428
179: ok 29429
179: ok 29430
179: ok 29431
179: ok 29432
179: ok 29433
179: ok 29434
179: ok 29435
179: ok 29436
179: ok 29437
179: ok 29438
179: ok 29439
179: ok 29440
179: ok 29441
179: ok 29442
179: ok 29443
179: ok 29444
179: ok 29445
179: ok 29446
179: ok 29447
179: ok 29448
179: ok 29449
179: ok 29450
179: ok 29451
179: ok 29452
179: ok 29453
179: ok 29454
179: ok 29455
179: ok 29456
179: ok 29457
179: ok 29458
179: ok 29459
179: ok 29460
179: ok 29461
179: ok 29462
179: ok 29463
179: ok 29464
179: ok 29465
179: ok 29466
179: ok 29467
179: ok 29468
179: ok 29469
179: ok 29470
179: ok 29471
179: ok 29472
179: ok 29473
179: ok 29474
179: ok 29475
179: ok 29476
179: ok 29477
179: ok 29478
179: ok 29479
179: ok 29480
179: ok 29481
179: ok 29482
179: ok 29483
179: ok 29484
179: ok 29485
179: ok 29486
179: ok 29487
179: ok 29488
179: ok 29489
179: ok 29490
179: ok 29491
179: ok 29492
179: ok 29493
179: ok 29494
179: ok 29495
179: ok 29496
179: ok 29497
179: ok 29498
179: ok 29499
179: ok 29500
179: ok 29501
179: ok 29502
179: ok 29503
179: ok 29504
179: ok 29505
179: ok 29506
179: ok 29507
179: ok 29508
179: ok 29509
179: ok 29510
179: ok 29511
179: ok 29512
179: ok 29513
179: ok 29514
179: ok 29515
179: ok 29516
179: ok 29517
179: ok 29518
179: ok 29519
179: ok 29520
179: ok 29521
179: ok 29522
179: ok 29523
179: ok 29524
179: ok 29525
179: ok 29526
179: ok 29527
179: ok 29528
179: ok 29529
179: ok 29530
179: ok 29531
179: ok 29532
179: ok 29533
179: ok 29534
179: ok 29535
179: ok 29536
179: ok 29537
179: ok 29538
179: ok 29539
179: ok 29540
179: ok 29541
179: ok 29542
179: ok 29543
179: ok 29544
179: ok 29545
179: ok 29546
179: ok 29547
179: ok 29548
179: ok 29549
179: ok 29550
179: ok 29551
179: ok 29552
179: ok 29553
179: ok 29554
179: ok 29555
179: ok 29556
179: ok 29557
179: ok 29558
179: ok 29559
179: ok 29560
179: ok 29561
179: ok 29562
179: ok 29563
179: ok 29564
179: ok 29565
179: ok 29566
179: ok 29567
179: ok 29568
179: ok 29569
179: ok 29570
179: ok 29571
179: ok 29572
179: ok 29573
179: ok 29574
179: ok 29575
179: ok 29576
179: ok 29577
179: ok 29578
179: ok 29579
179: ok 29580
179: ok 29581
179: ok 29582
179: ok 29583
179: ok 29584
179: ok 29585
179: ok 29586
179: ok 29587
179: ok 29588
179: ok 29589
179: ok 29590
179: ok 29591
179: ok 29592
179: ok 29593
179: ok 29594
179: ok 29595
179: ok 29596
179: ok 29597
179: ok 29598
179: ok 29599
179: ok 29600
179: ok 29601
179: ok 29602
179: ok 29603
179: ok 29604
179: ok 29605
179: ok 29606
179: ok 29607
179: ok 29608
179: ok 29609
179: ok 29610
179: ok 29611
179: ok 29612
179: ok 29613
179: ok 29614
179: ok 29615
179: ok 29616
179: ok 29617
179: ok 29618
179: ok 29619
179: ok 29620
179: ok 29621
179: ok 29622
179: ok 29623
179: ok 29624
179: ok 29625
179: ok 29626
179: ok 29627
179: ok 29628
179: ok 29629
179: ok 29630
179: ok 29631
179: ok 29632
179: ok 29633
179: ok 29634
179: ok 29635
179: ok 29636
179: ok 29637
179: ok 29638
179: ok 29639
179: ok 29640
179: ok 29641
179: ok 29642
179: ok 29643
179: ok 29644
179: ok 29645
179: ok 29646
179: ok 29647
179: ok 29648
179: ok 29649
179: ok 29650
179: ok 29651
179: ok 29652
179: ok 29653
179: ok 29654
179: ok 29655
179: ok 29656
179: ok 29657
179: ok 29658
179: ok 29659
179: ok 29660
179: ok 29661
179: ok 29662
179: ok 29663
179: ok 29664
179: ok 29665
179: ok 29666
179: ok 29667
179: ok 29668
179: ok 29669
179: ok 29670
179: ok 29671
179: ok 29672
179: ok 29673
179: ok 29674
179: ok 29675
179: ok 29676
179: ok 29677
179: ok 29678
179: ok 29679
179: ok 29680
179: ok 29681
179: ok 29682
179: ok 29683
179: ok 29684
179: ok 29685
179: ok 29686
179: ok 29687
179: ok 29688
179: ok 29689
179: ok 29690
179: ok 29691
179: ok 29692
179: ok 29693
179: ok 29694
179: ok 29695
179: ok 29696
179: ok 29697
179: ok 29698
179: ok 29699
179: ok 29700
179: ok 29701
179: ok 29702
179: ok 29703
179: ok 29704
179: ok 29705
179: ok 29706
179: ok 29707
179: ok 29708
179: ok 29709
179: ok 29710
179: ok 29711
179: ok 29712
179: ok 29713
179: ok 29714
179: ok 29715
179: ok 29716
179: ok 29717
179: ok 29718
179: ok 29719
179: ok 29720
179: ok 29721
179: ok 29722
179: ok 29723
179: ok 29724
179: ok 29725
179: ok 29726
179: ok 29727
179: ok 29728
179: ok 29729
179: ok 29730
179: ok 29731
179: ok 29732
179: ok 29733
179: ok 29734
179: ok 29735
179: ok 29736
179: ok 29737
179: ok 29738
179: ok 29739
179: ok 29740
179: ok 29741
179: ok 29742
179: ok 29743
179: ok 29744
179: ok 29745
179: ok 29746
179: ok 29747
179: ok 29748
179: ok 29749
179: ok 29750
179: ok 29751
179: ok 29752
179: ok 29753
179: ok 29754
179: ok 29755
179: ok 29756
179: ok 29757
179: ok 29758
179: ok 29759
179: ok 29760
179: ok 29761
179: ok 29762
179: ok 29763
179: ok 29764
179: ok 29765
179: ok 29766
179: ok 29767
179: ok 29768
179: ok 29769
179: ok 29770
179: ok 29771
179: ok 29772
179: ok 29773
179: ok 29774
179: ok 29775
179: ok 29776
179: ok 29777
179: ok 29778
179: ok 29779
179: ok 29780
179: ok 29781
179: ok 29782
179: ok 29783
179: ok 29784
179: ok 29785
179: ok 29786
179: ok 29787
179: ok 29788
179: ok 29789
179: ok 29790
179: ok 29791
179: ok 29792
179: ok 29793
179: ok 29794
179: ok 29795
179: ok 29796
179: ok 29797
179: ok 29798
179: ok 29799
179: ok 29800
179: ok 29801
179: ok 29802
179: ok 29803
179: ok 29804
179: ok 29805
179: ok 29806
179: ok 29807
179: ok 29808
179: ok 29809
179: ok 29810
179: ok 29811
179: ok 29812
179: ok 29813
179: ok 29814
179: ok 29815
179: ok 29816
179: ok 29817
179: ok 29818
179: ok 29819
179: ok 29820
179: ok 29821
179: ok 29822
179: ok 29823
179: ok 29824
179: ok 29825
179: ok 29826
179: ok 29827
179: ok 29828
179: ok 29829
179: ok 29830
179: ok 29831
179: ok 29832
179: ok 29833
179: ok 29834
179: ok 29835
179: ok 29836
179: ok 29837
179: ok 29838
179: ok 29839
179: ok 29840
179: ok 29841
179: ok 29842
179: ok 29843
179: ok 29844
179: ok 29845
179: ok 29846
179: ok 29847
179: ok 29848
179: ok 29849
179: ok 29850
179: ok 29851
179: ok 29852
179: ok 29853
179: ok 29854
179: ok 29855
179: ok 29856
179: ok 29857
179: ok 29858
179: ok 29859
179: ok 29860
179: ok 29861
179: ok 29862
179: ok 29863
179: ok 29864
179: ok 29865
179: ok 29866
179: ok 29867
179: ok 29868
179: ok 29869
179: ok 29870
179: ok 29871
179: ok 29872
179: ok 29873
179: ok 29874
179: ok 29875
179: ok 29876
179: ok 29877
179: ok 29878
179: ok 29879
179: ok 29880
179: ok 29881
179: ok 29882
179: ok 29883
179: ok 29884
179: ok 29885
179: ok 29886
179: ok 29887
179: ok 29888
179: ok 29889
179: ok 29890
179: ok 29891
179: ok 29892
179: ok 29893
179: ok 29894
179: ok 29895
179: ok 29896
179: ok 29897
179: ok 29898
179: ok 29899
179: ok 29900
179: ok 29901
179: ok 29902
179: ok 29903
179: ok 29904
179: ok 29905
179: ok 29906
179: ok 29907
179: ok 29908
179: ok 29909
179: ok 29910
179: ok 29911
179: ok 29912
179: ok 29913
179: ok 29914
179: ok 29915
179: ok 29916
179: ok 29917
179: ok 29918
179: ok 29919
179: ok 29920
179: ok 29921
179: ok 29922
179: ok 29923
179: ok 29924
179: ok 29925
179: ok 29926
179: ok 29927
179: ok 29928
179: ok 29929
179: ok 29930
179: ok 29931
179: ok 29932
179: ok 29933
179: ok 29934
179: ok 29935
179: ok 29936
179: ok 29937
179: ok 29938
179: ok 29939
179: ok 29940
179: ok 29941
179: ok 29942
179: ok 29943
179: ok 29944
179: ok 29945
179: ok 29946
179: ok 29947
179: ok 29948
179: ok 29949
179: ok 29950
179: ok 29951
179: ok 29952
179: ok 29953
179: ok 29954
179: ok 29955
179: ok 29956
179: ok 29957
179: ok 29958
179: ok 29959
179: ok 29960
179: ok 29961
179: ok 29962
179: ok 29963
179: ok 29964
179: ok 29965
179: ok 29966
179: ok 29967
179: ok 29968
179: ok 29969
179: ok 29970
179: ok 29971
179: ok 29972
179: ok 29973
179: ok 29974
179: ok 29975
179: ok 29976
179: ok 29977
179: ok 29978
179: ok 29979
179: ok 29980
179: ok 29981
179: ok 29982
179: ok 29983
179: ok 29984
179: ok 29985
179: ok 29986
179: ok 29987
179: ok 29988
179: ok 29989
179: ok 29990
179: ok 29991
179: ok 29992
179: ok 29993
179: ok 29994
179: ok 29995
179: ok 29996
179: ok 29997
179: ok 29998
179: ok 29999
179: ok 30000
179: ok 30001
179: ok 30002
179: ok 30003
179: ok 30004
179: ok 30005
179: ok 30006
179: ok 30007
179: ok 30008
179: ok 30009
179: ok 30010
179: ok 30011
179: ok 30012
179: ok 30013
179: ok 30014
179: ok 30015
179: ok 30016
179: ok 30017
179: ok 30018
179: ok 30019
179: ok 30020
179: ok 30021
179: ok 30022
179: ok 30023
179: ok 30024
179: ok 30025
179: ok 30026
179: ok 30027
179: ok 30028
179: ok 30029
179: ok 30030
179: ok 30031
179: ok 30032
179: ok 30033
179: ok 30034
179: ok 30035
179: ok 30036
179: ok 30037
179: ok 30038
179: ok 30039
179: ok 30040
179: ok 30041
179: ok 30042
179: ok 30043
179: ok 30044
179: ok 30045
179: ok 30046
179: ok 30047
179: ok 30048
179: ok 30049
179: ok 30050
179: ok 30051
179: ok 30052
179: ok 30053
179: ok 30054
179: ok 30055
179: ok 30056
179: ok 30057
179: ok 30058
179: ok 30059
179: ok 30060
179: ok 30061
179: ok 30062
179: ok 30063
179: ok 30064
179: ok 30065
179: ok 30066
179: ok 30067
179: ok 30068
179: ok 30069
179: ok 30070
179: ok 30071
179: ok 30072
179: ok 30073
179: ok 30074
179: ok 30075
179: ok 30076
179: ok 30077
179: ok 30078
179: ok 30079
179: ok 30080
179: ok 30081
179: ok 30082
179: ok 30083
179: ok 30084
179: ok 30085
179: ok 30086
179: ok 30087
179: ok 30088
179: ok 30089
179: ok 30090
179: ok 30091
179: ok 30092
179: ok 30093
179: ok 30094
179: ok 30095
179: ok 30096
179: ok 30097
179: ok 30098
179: ok 30099
179: ok 30100
179: ok 30101
179: ok 30102
179: ok 30103
179: ok 30104
179: ok 30105
179: ok 30106
179: ok 30107
179: ok 30108
179: ok 30109
179: ok 30110
179: ok 30111
179: ok 30112
179: ok 30113
179: ok 30114
179: ok 30115
179: ok 30116
179: ok 30117
179: ok 30118
179: ok 30119
179: ok 30120
179: ok 30121
179: ok 30122
179: ok 30123
179: ok 30124
179: ok 30125
179: ok 30126
179: ok 30127
179: ok 30128
179: ok 30129
179: ok 30130
179: ok 30131
179: ok 30132
179: ok 30133
179: ok 30134
179: ok 30135
179: ok 30136
179: ok 30137
179: ok 30138
179: ok 30139
179: ok 30140
179: ok 30141
179: ok 30142
179: ok 30143
179: ok 30144
179: ok 30145
179: ok 30146
179: ok 30147
179: ok 30148
179: ok 30149
179: ok 30150
179: ok 30151
179: ok 30152
179: ok 30153
179: ok 30154
179: ok 30155
179: ok 30156
179: ok 30157
179: ok 30158
179: ok 30159
179: ok 30160
179: ok 30161
179: ok 30162
179: ok 30163
179: ok 30164
179: ok 30165
179: ok 30166
179: ok 30167
179: ok 30168
179: ok 30169
179: ok 30170
179: ok 30171
179: ok 30172
179: ok 30173
179: ok 30174
179: ok 30175
179: ok 30176
179: ok 30177
179: ok 30178
179: ok 30179
179: ok 30180
179: ok 30181
179: ok 30182
179: ok 30183
179: ok 30184
179: ok 30185
179: ok 30186
179: ok 30187
179: ok 30188
179: ok 30189
179: ok 30190
179: ok 30191
179: ok 30192
179: ok 30193
179: ok 30194
179: ok 30195
179: ok 30196
179: ok 30197
179: ok 30198
179: ok 30199
179: ok 30200
179: ok 30201
179: ok 30202
179: ok 30203
179: ok 30204
179: ok 30205
179: ok 30206
179: ok 30207
179: ok 30208
179: ok 30209
179: ok 30210
179: ok 30211
179: ok 30212
179: ok 30213
179: ok 30214
179: ok 30215
179: ok 30216
179: ok 30217
179: ok 30218
179: ok 30219
179: ok 30220
179: ok 30221
179: ok 30222
179: ok 30223
179: ok 30224
179: ok 30225
179: ok 30226
179: ok 30227
179: ok 30228
179: ok 30229
179: ok 30230
179: ok 30231
179: ok 30232
179: ok 30233
179: ok 30234
179: ok 30235
179: ok 30236
179: ok 30237
179: ok 30238
179: ok 30239
179: ok 30240
179: ok 30241
179: ok 30242
179: ok 30243
179: ok 30244
179: ok 30245
179: ok 30246
179: ok 30247
179: ok 30248
179: ok 30249
179: ok 30250
179: ok 30251
179: ok 30252
179: ok 30253
179: ok 30254
179: ok 30255
179: ok 30256
179: ok 30257
179: ok 30258
179: ok 30259
179: ok 30260
179: ok 30261
179: ok 30262
179: ok 30263
179: ok 30264
179: ok 30265
179: ok 30266
179: ok 30267
179: ok 30268
179: ok 30269
179: ok 30270
179: ok 30271
179: ok 30272
179: ok 30273
179: ok 30274
179: ok 30275
179: ok 30276
179: ok 30277
179: ok 30278
179: ok 30279
179: ok 30280
179: ok 30281
179: ok 30282
179: ok 30283
179: ok 30284
179: ok 30285
179: ok 30286
179: ok 30287
179: ok 30288
179: ok 30289
179: ok 30290
179: ok 30291
179: ok 30292
179: ok 30293
179: ok 30294
179: ok 30295
179: ok 30296
179: ok 30297
179: ok 30298
179: ok 30299
179: ok 30300
179: ok 30301
179: ok 30302
179: ok 30303
179: ok 30304
179: ok 30305
179: ok 30306
179: ok 30307
179: ok 30308
179: ok 30309
179: ok 30310
179: ok 30311
179: ok 30312
179: ok 30313
179: ok 30314
179: ok 30315
179: ok 30316
179: ok 30317
179: ok 30318
179: ok 30319
179: ok 30320
179: ok 30321
179: ok 30322
179: ok 30323
179: ok 30324
179: ok 30325
179: ok 30326
179: ok 30327
179: ok 30328
179: ok 30329
179: ok 30330
179: ok 30331
179: ok 30332
179: ok 30333
179: ok 30334
179: ok 30335
179: ok 30336
179: ok 30337
179: ok 30338
179: ok 30339
179: ok 30340
179: ok 30341
179: ok 30342
179: ok 30343
179: ok 30344
179: ok 30345
179: ok 30346
179: ok 30347
179: ok 30348
179: ok 30349
179: ok 30350
179: ok 30351
179: ok 30352
179: ok 30353
179: ok 30354
179: ok 30355
179: ok 30356
179: ok 30357
179: ok 30358
179: ok 30359
179: ok 30360
179: ok 30361
179: ok 30362
179: ok 30363
179: ok 30364
179: ok 30365
179: ok 30366
179: ok 30367
179: ok 30368
179: ok 30369
179: ok 30370
179: ok 30371
179: ok 30372
179: ok 30373
179: ok 30374
179: ok 30375
179: ok 30376
179: ok 30377
179: ok 30378
179: ok 30379
179: ok 30380
179: ok 30381
179: ok 30382
179: ok 30383
179: ok 30384
179: ok 30385
179: ok 30386
179: ok 30387
179: ok 30388
179: ok 30389
179: ok 30390
179: ok 30391
179: ok 30392
179: ok 30393
179: ok 30394
179: ok 30395
179: ok 30396
179: ok 30397
179: ok 30398
179: ok 30399
179: ok 30400
179: ok 30401
179: ok 30402
179: ok 30403
179: ok 30404
179: ok 30405
179: ok 30406
179: ok 30407
179: ok 30408
179: ok 30409
179: ok 30410
179: ok 30411
179: ok 30412
179: ok 30413
179: ok 30414
179: ok 30415
179: ok 30416
179: ok 30417
179: ok 30418
179: ok 30419
179: ok 30420
179: ok 30421
179: ok 30422
179: ok 30423
179: ok 30424
179: ok 30425
179: ok 30426
179: ok 30427
179: ok 30428
179: ok 30429
179: ok 30430
179: ok 30431
179: ok 30432
179: ok 30433
179: ok 30434
179: ok 30435
179: ok 30436
179: ok 30437
179: ok 30438
179: ok 30439
179: ok 30440
179: ok 30441
179: ok 30442
179: ok 30443
179: ok 30444
179: ok 30445
179: ok 30446
179: ok 30447
179: ok 30448
179: ok 30449
179: ok 30450
179: ok 30451
179: ok 30452
179: ok 30453
179: ok 30454
179: ok 30455
179: ok 30456
179: ok 30457
179: ok 30458
179: ok 30459
179: ok 30460
179: ok 30461
179: ok 30462
179: ok 30463
179: ok 30464
179: ok 30465
179: ok 30466
179: ok 30467
179: ok 30468
179: ok 30469
179: ok 30470
179: ok 30471
179: ok 30472
179: ok 30473
179: ok 30474
179: ok 30475
179: ok 30476
179: ok 30477
179: ok 30478
179: ok 30479
179: ok 30480
179: ok 30481
179: ok 30482
179: ok 30483
179: ok 30484
179: ok 30485
179: ok 30486
179: ok 30487
179: ok 30488
179: ok 30489
179: ok 30490
179: ok 30491
179: ok 30492
179: ok 30493
179: ok 30494
179: ok 30495
179: ok 30496
179: ok 30497
179: ok 30498
179: ok 30499
179: ok 30500
179: ok 30501
179: ok 30502
179: ok 30503
179: ok 30504
179: ok 30505
179: ok 30506
179: ok 30507
179: ok 30508
179: ok 30509
179: ok 30510
179: ok 30511
179: ok 30512
179: ok 30513
179: ok 30514
179: ok 30515
179: ok 30516
179: ok 30517
179: ok 30518
179: ok 30519
179: ok 30520
179: ok 30521
179: ok 30522
179: ok 30523
179: ok 30524
179: ok 30525
179: ok 30526
179: ok 30527
179: ok 30528
179: ok 30529
179: ok 30530
179: ok 30531
179: ok 30532
179: ok 30533
179: ok 30534
179: ok 30535
179: ok 30536
179: ok 30537
179: ok 30538
179: ok 30539
179: ok 30540
179: ok 30541
179: ok 30542
179: ok 30543
179: ok 30544
179: ok 30545
179: ok 30546
179: ok 30547
179: ok 30548
179: ok 30549
179: ok 30550
179: ok 30551
179: ok 30552
179: ok 30553
179: ok 30554
179: ok 30555
179: ok 30556
179: ok 30557
179: ok 30558
179: ok 30559
179: ok 30560
179: ok 30561
179: ok 30562
179: ok 30563
179: ok 30564
179: ok 30565
179: ok 30566
179: ok 30567
179: ok 30568
179: ok 30569
179: ok 30570
179: ok 30571
179: ok 30572
179: ok 30573
179: ok 30574
179: ok 30575
179: ok 30576
179: ok 30577
179: ok 30578
179: ok 30579
179: ok 30580
179: ok 30581
179: ok 30582
179: ok 30583
179: ok 30584
179: ok 30585
179: ok 30586
179: ok 30587
179: ok 30588
179: ok 30589
179: ok 30590
179: ok 30591
179: ok 30592
179: ok 30593
179: ok 30594
179: ok 30595
179: ok 30596
179: ok 30597
179: ok 30598
179: ok 30599
179: ok 30600
179: ok 30601
179: ok 30602
179: ok 30603
179: ok 30604
179: ok 30605
179: ok 30606
179: ok 30607
179: ok 30608
179: ok 30609
179: ok 30610
179: ok 30611
179: ok 30612
179: ok 30613
179: ok 30614
179: ok 30615
179: ok 30616
179: ok 30617
179: ok 30618
179: ok 30619
179: ok 30620
179: ok 30621
179: ok 30622
179: ok 30623
179: ok 30624
179: ok 30625
179: ok 30626
179: ok 30627
179: ok 30628
179: ok 30629
179: ok 30630
179: ok 30631
179: ok 30632
179: ok 30633
179: ok 30634
179: ok 30635
179: ok 30636
179: ok 30637
179: ok 30638
179: ok 30639
179: ok 30640
179: ok 30641
179: ok 30642
179: ok 30643
179: ok 30644
179: ok 30645
179: ok 30646
179: ok 30647
179: ok 30648
179: ok 30649
179: ok 30650
179: ok 30651
179: ok 30652
179: ok 30653
179: ok 30654
179: ok 30655
179: ok 30656
179: ok 30657
179: ok 30658
179: ok 30659
179: ok 30660
179: ok 30661
179: ok 30662
179: ok 30663
179: ok 30664
179: ok 30665
179: ok 30666
179: ok 30667
179: ok 30668
179: ok 30669
179: ok 30670
179: ok 30671
179: ok 30672
179: ok 30673
179: ok 30674
179: ok 30675
179: ok 30676
179: ok 30677
179: ok 30678
179: ok 30679
179: ok 30680
179: ok 30681
179: ok 30682
179: ok 30683
179: ok 30684
179: ok 30685
179: ok 30686
179: ok 30687
179: ok 30688
179: ok 30689
179: ok 30690
179: ok 30691
179: ok 30692
179: ok 30693
179: ok 30694
179: ok 30695
179: ok 30696
179: ok 30697
179: ok 30698
179: ok 30699
179: ok 30700
179: ok 30701
179: ok 30702
179: ok 30703
179: ok 30704
179: ok 30705
179: ok 30706
179: ok 30707
179: ok 30708
179: ok 30709
179: ok 30710
179: ok 30711
179: ok 30712
179: ok 30713
179: ok 30714
179: ok 30715
179: ok 30716
179: ok 30717
179: ok 30718
179: ok 30719
179: ok 30720
179: ok 30721
179: ok 30722
179: ok 30723
179: ok 30724
179: ok 30725
179: ok 30726
179: ok 30727
179: ok 30728
179: ok 30729
179: ok 30730
179: ok 30731
179: ok 30732
179: ok 30733
179: ok 30734
179: ok 30735
179: ok 30736
179: ok 30737
179: ok 30738
179: ok 30739
179: ok 30740
179: ok 30741
179: ok 30742
179: ok 30743
179: ok 30744
179: ok 30745
179: ok 30746
179: ok 30747
179: ok 30748
179: ok 30749
179: ok 30750
179: ok 30751
179: ok 30752
179: ok 30753
179: ok 30754
179: ok 30755
179: ok 30756
179: ok 30757
179: ok 30758
179: ok 30759
179: ok 30760
179: ok 30761
179: ok 30762
179: ok 30763
179: ok 30764
179: ok 30765
179: ok 30766
179: ok 30767
179: ok 30768
179: ok 30769
179: ok 30770
179: ok 30771
179: ok 30772
179: ok 30773
179: ok 30774
179: ok 30775
179: ok 30776
179: ok 30777
179: ok 30778
179: ok 30779
179: ok 30780
179: ok 30781
179: ok 30782
179: ok 30783
179: ok 30784
179: ok 30785
179: ok 30786
179: ok 30787
179: ok 30788
179: ok 30789
179: ok 30790
179: ok 30791
179: ok 30792
179: ok 30793
179: ok 30794
179: ok 30795
179: ok 30796
179: ok 30797
179: ok 30798
179: ok 30799
179: ok 30800
179: ok 30801
179: ok 30802
179: ok 30803
179: ok 30804
179: ok 30805
179: ok 30806
179: ok 30807
179: ok 30808
179: ok 30809
179: ok 30810
179: ok 30811
179: ok 30812
179: ok 30813
179: ok 30814
179: ok 30815
179: ok 30816
179: ok 30817
179: ok 30818
179: ok 30819
179: ok 30820
179: ok 30821
179: ok 30822
179: ok 30823
179: ok 30824
179: ok 30825
179: ok 30826
179: ok 30827
179: ok 30828
179: ok 30829
179: ok 30830
179: ok 30831
179: ok 30832
179: ok 30833
179: ok 30834
179: ok 30835
179: ok 30836
179: ok 30837
179: ok 30838
179: ok 30839
179: ok 30840
179: ok 30841
179: ok 30842
179: ok 30843
179: ok 30844
179: ok 30845
179: ok 30846
179: ok 30847
179: ok 30848
179: ok 30849
179: ok 30850
179: ok 30851
179: ok 30852
179: ok 30853
179: ok 30854
179: ok 30855
179: ok 30856
179: ok 30857
179: ok 30858
179: ok 30859
179: ok 30860
179: ok 30861
179: ok 30862
179: ok 30863
179: ok 30864
179: ok 30865
179: ok 30866
179: ok 30867
179: ok 30868
179: ok 30869
179: ok 30870
179: ok 30871
179: ok 30872
179: ok 30873
179: ok 30874
179: ok 30875
179: ok 30876
179: ok 30877
179: ok 30878
179: ok 30879
179: ok 30880
179: ok 30881
179: ok 30882
179: ok 30883
179: ok 30884
179: ok 30885
179: ok 30886
179: ok 30887
179: ok 30888
179: ok 30889
179: ok 30890
179: ok 30891
179: ok 30892
179: ok 30893
179: ok 30894
179: ok 30895
179: ok 30896
179: ok 30897
179: ok 30898
179: ok 30899
179: ok 30900
179: ok 30901
179: ok 30902
179: ok 30903
179: ok 30904
179: ok 30905
179: ok 30906
179: ok 30907
179: ok 30908
179: ok 30909
179: ok 30910
179: ok 30911
179: ok 30912
179: ok 30913
179: ok 30914
179: ok 30915
179: ok 30916
179: ok 30917
179: ok 30918
179: ok 30919
179: ok 30920
179: ok 30921
179: ok 30922
179: ok 30923
179: ok 30924
179: ok 30925
179: ok 30926
179: ok 30927
179: ok 30928
179: ok 30929
179: ok 30930
179: ok 30931
179: ok 30932
179: ok 30933
179: ok 30934
179: ok 30935
179: ok 30936
179: ok 30937
179: ok 30938
179: ok 30939
179: ok 30940
179: ok 30941
179: ok 30942
179: ok 30943
179: ok 30944
179: ok 30945
179: ok 30946
179: ok 30947
179: ok 30948
179: ok 30949
179: ok 30950
179: ok 30951
179: ok 30952
179: ok 30953
179: ok 30954
179: ok 30955
179: ok 30956
179: ok 30957
179: ok 30958
179: ok 30959
179: ok 30960
179: ok 30961
179: ok 30962
179: ok 30963
179: ok 30964
179: ok 30965
179: ok 30966
179: ok 30967
179: ok 30968
179: ok 30969
179: ok 30970
179: ok 30971
179: ok 30972
179: ok 30973
179: ok 30974
179: ok 30975
179: ok 30976
179: ok 30977
179: ok 30978
179: ok 30979
179: ok 30980
179: ok 30981
179: ok 30982
179: ok 30983
179: ok 30984
179: ok 30985
179: ok 30986
179: ok 30987
179: ok 30988
179: ok 30989
179: ok 30990
179: ok 30991
179: ok 30992
179: ok 30993
179: ok 30994
179: ok 30995
179: ok 30996
179: ok 30997
179: ok 30998
179: ok 30999
179: ok 31000
179: ok 31001
179: ok 31002
179: ok 31003
179: ok 31004
179: ok 31005
179: ok 31006
179: ok 31007
179: ok 31008
179: ok 31009
179: ok 31010
179: ok 31011
179: ok 31012
179: ok 31013
179: ok 31014
179: ok 31015
179: ok 31016
179: ok 31017
179: ok 31018
179: ok 31019
179: ok 31020
179: ok 31021
179: ok 31022
179: ok 31023
179: ok 31024
179: ok 31025
179: ok 31026
179: ok 31027
179: ok 31028
179: ok 31029
179: ok 31030
179: ok 31031
179: ok 31032
179: ok 31033
179: ok 31034
179: ok 31035
179: ok 31036
179: ok 31037
179: ok 31038
179: ok 31039
179: ok 31040
179: ok 31041
179: ok 31042
179: ok 31043
179: ok 31044
179: ok 31045
179: ok 31046
179: ok 31047
179: ok 31048
179: ok 31049
179: ok 31050
179: ok 31051
179: ok 31052
179: ok 31053
179: ok 31054
179: ok 31055
179: ok 31056
179: ok 31057
179: ok 31058
179: ok 31059
179: ok 31060
179: ok 31061
179: ok 31062
179: ok 31063
179: ok 31064
179: ok 31065
179: ok 31066
179: ok 31067
179: ok 31068
179: ok 31069
179: ok 31070
179: ok 31071
179: ok 31072
179: ok 31073
179: ok 31074
179: ok 31075
179: ok 31076
179: ok 31077
179: ok 31078
179: ok 31079
179: ok 31080
179: ok 31081
179: ok 31082
179: ok 31083
179: ok 31084
179: ok 31085
179: ok 31086
179: ok 31087
179: ok 31088
179: ok 31089
179: ok 31090
179: ok 31091
179: ok 31092
179: ok 31093
179: ok 31094
179: ok 31095
179: ok 31096
179: ok 31097
179: ok 31098
179: ok 31099
179: ok 31100
179: ok 31101
179: ok 31102
179: ok 31103
179: ok 31104
179: ok 31105
179: ok 31106
179: ok 31107
179: ok 31108
179: ok 31109
179: ok 31110
179: ok 31111
179: ok 31112
179: ok 31113
179: ok 31114
179: ok 31115
179: ok 31116
179: ok 31117
179: ok 31118
179: ok 31119
179: ok 31120
179: ok 31121
179: ok 31122
179: ok 31123
179: ok 31124
179: ok 31125
179: ok 31126
179: ok 31127
179: ok 31128
179: ok 31129
179: ok 31130
179: ok 31131
179: ok 31132
179: ok 31133
179: ok 31134
179: ok 31135
179: ok 31136
179: ok 31137
179: ok 31138
179: ok 31139
179: ok 31140
179: ok 31141
179: ok 31142
179: ok 31143
179: ok 31144
179: ok 31145
179: ok 31146
179: ok 31147
179: ok 31148
179: ok 31149
179: ok 31150
179: ok 31151
179: ok 31152
179: ok 31153
179: ok 31154
179: ok 31155
179: ok 31156
179: ok 31157
179: ok 31158
179: ok 31159
179: ok 31160
179: ok 31161
179: ok 31162
179: ok 31163
179: ok 31164
179: ok 31165
179: ok 31166
179: ok 31167
179: ok 31168
179: ok 31169
179: ok 31170
179: ok 31171
179: ok 31172
179: ok 31173
179: ok 31174
179: ok 31175
179: ok 31176
179: ok 31177
179: ok 31178
179: ok 31179
179: ok 31180
179: ok 31181
179: ok 31182
179: ok 31183
179: ok 31184
179: ok 31185
179: ok 31186
179: ok 31187
179: ok 31188
179: ok 31189
179: ok 31190
179: ok 31191
179: ok 31192
179: ok 31193
179: ok 31194
179: ok 31195
179: ok 31196
179: ok 31197
179: ok 31198
179: ok 31199
179: ok 31200
179: ok 31201
179: ok 31202
179: ok 31203
179: ok 31204
179: ok 31205
179: ok 31206
179: ok 31207
179: ok 31208
179: ok 31209
179: ok 31210
179: ok 31211
179: ok 31212
179: ok 31213
179: ok 31214
179: ok 31215
179: ok 31216
179: ok 31217
179: ok 31218
179: ok 31219
179: ok 31220
179: ok 31221
179: ok 31222
179: ok 31223
179: ok 31224
179: ok 31225
179: ok 31226
179: ok 31227
179: ok 31228
179: ok 31229
179: ok 31230
179: ok 31231
179: ok 31232
179: ok 31233
179: ok 31234
179: ok 31235
179: ok 31236
179: ok 31237
179: ok 31238
179: ok 31239
179: ok 31240
179: ok 31241
179: ok 31242
179: ok 31243
179: ok 31244
179: ok 31245
179: ok 31246
179: ok 31247
179: ok 31248
179: ok 31249
179: ok 31250
179: ok 31251
179: ok 31252
179: ok 31253
179: ok 31254
179: ok 31255
179: ok 31256
179: ok 31257
179: ok 31258
179: ok 31259
179: ok 31260
179: ok 31261
179: ok 31262
179: ok 31263
179: ok 31264
179: ok 31265
179: ok 31266
179: ok 31267
179: ok 31268
179: ok 31269
179: ok 31270
179: ok 31271
179: ok 31272
179: ok 31273
179: ok 31274
179: ok 31275
179: ok 31276
179: ok 31277
179: ok 31278
179: ok 31279
179: ok 31280
179: ok 31281
179: ok 31282
179: ok 31283
179: ok 31284
179: ok 31285
179: ok 31286
179: ok 31287
179: ok 31288
179: ok 31289
179: ok 31290
179: ok 31291
179: ok 31292
179: ok 31293
179: ok 31294
179: ok 31295
179: ok 31296
179: ok 31297
179: ok 31298
179: ok 31299
179: ok 31300
179: ok 31301
179: ok 31302
179: ok 31303
179: ok 31304
179: ok 31305
179: ok 31306
179: ok 31307
179: ok 31308
179: ok 31309
179: ok 31310
179: ok 31311
179: ok 31312
179: ok 31313
179: ok 31314
179: ok 31315
179: ok 31316
179: ok 31317
179: ok 31318
179: ok 31319
179: ok 31320
179: ok 31321
179: ok 31322
179: ok 31323
179: ok 31324
179: ok 31325
179: ok 31326
179: ok 31327
179: ok 31328
179: ok 31329
179: ok 31330
179: ok 31331
179: ok 31332
179: ok 31333
179: ok 31334
179: ok 31335
179: ok 31336
179: ok 31337
179: ok 31338
179: ok 31339
179: ok 31340
179: ok 31341
179: ok 31342
179: ok 31343
179: ok 31344
179: ok 31345
179: ok 31346
179: ok 31347
179: ok 31348
179: ok 31349
179: ok 31350
179: ok 31351
179: ok 31352
179: ok 31353
179: ok 31354
179: ok 31355
179: ok 31356
179: ok 31357
179: ok 31358
179: ok 31359
179: ok 31360
179: ok 31361
179: ok 31362
179: ok 31363
179: ok 31364
179: ok 31365
179: ok 31366
179: ok 31367
179: ok 31368
179: ok 31369
179: ok 31370
179: ok 31371
179: ok 31372
179: ok 31373
179: ok 31374
179: ok 31375
179: ok 31376
179: ok 31377
179: ok 31378
179: ok 31379
179: ok 31380
179: ok 31381
179: ok 31382
179: ok 31383
179: ok 31384
179: ok 31385
179: ok 31386
179: ok 31387
179: ok 31388
179: ok 31389
179: ok 31390
179: ok 31391
179: ok 31392
179: ok 31393
179: ok 31394
179: ok 31395
179: ok 31396
179: ok 31397
179: ok 31398
179: ok 31399
179: ok 31400
179: ok 31401
179: ok 31402
179: ok 31403
179: ok 31404
179: ok 31405
179: ok 31406
179: ok 31407
179: ok 31408
179: ok 31409
179: ok 31410
179: ok 31411
179: ok 31412
179: ok 31413
179: ok 31414
179: ok 31415
179: ok 31416
179: ok 31417
179: ok 31418
179: ok 31419
179: ok 31420
179: ok 31421
179: ok 31422
179: ok 31423
179: ok 31424
179: ok 31425
179: ok 31426
179: ok 31427
179: ok 31428
179: ok 31429
179: ok 31430
179: ok 31431
179: ok 31432
179: ok 31433
179: ok 31434
179: ok 31435
179: ok 31436
179: ok 31437
179: ok 31438
179: ok 31439
179: ok 31440
179: ok 31441
179: ok 31442
179: ok 31443
179: ok 31444
179: ok 31445
179: ok 31446
179: ok 31447
179: ok 31448
179: ok 31449
179: ok 31450
179: ok 31451
179: ok 31452
179: ok 31453
179: ok 31454
179: ok 31455
179: ok 31456
179: ok 31457
179: ok 31458
179: ok 31459
179: ok 31460
179: ok 31461
179: ok 31462
179: ok 31463
179: ok 31464
179: ok 31465
179: ok 31466
179: ok 31467
179: ok 31468
179: ok 31469
179: ok 31470
179: ok 31471
179: ok 31472
179: ok 31473
179: ok 31474
179: ok 31475
179: ok 31476
179: ok 31477
179: ok 31478
179: ok 31479
179: ok 31480
179: ok 31481
179: ok 31482
179: ok 31483
179: ok 31484
179: ok 31485
179: ok 31486
179: ok 31487
179: ok 31488
179: ok 31489
179: ok 31490
179: ok 31491
179: ok 31492
179: ok 31493
179: ok 31494
179: ok 31495
179: ok 31496
179: ok 31497
179: ok 31498
179: ok 31499
179: ok 31500
179: ok 31501
179: ok 31502
179: ok 31503
179: ok 31504
179: ok 31505
179: ok 31506
179: ok 31507
179: ok 31508
179: ok 31509
179: ok 31510
179: ok 31511
179: ok 31512
179: ok 31513
179: ok 31514
179: ok 31515
179: ok 31516
179: ok 31517
179: ok 31518
179: ok 31519
179: ok 31520
179: ok 31521
179: ok 31522
179: ok 31523
179: ok 31524
179: ok 31525
179: ok 31526
179: ok 31527
179: ok 31528
179: ok 31529
179: ok 31530
179: ok 31531
179: ok 31532
179: ok 31533
179: ok 31534
179: ok 31535
179: ok 31536
179: ok 31537
179: ok 31538
179: ok 31539
179: ok 31540
179: ok 31541
179: ok 31542
179: ok 31543
179: ok 31544
179: ok 31545
179: ok 31546
179: ok 31547
179: ok 31548
179: ok 31549
179: ok 31550
179: ok 31551
179: ok 31552
179: ok 31553
179: ok 31554
179: ok 31555
179: ok 31556
179: ok 31557
179: ok 31558
179: ok 31559
179: ok 31560
179: ok 31561
179: ok 31562
179: ok 31563
179: ok 31564
179: ok 31565
179: ok 31566
179: ok 31567
179: ok 31568
179: ok 31569
179: ok 31570
179: ok 31571
179: ok 31572
179: ok 31573
179: ok 31574
179: ok 31575
179: ok 31576
179: ok 31577
179: ok 31578
179: ok 31579
179: ok 31580
179: ok 31581
179: ok 31582
179: ok 31583
179: ok 31584
179: ok 31585
179: ok 31586
179: ok 31587
179: ok 31588
179: ok 31589
179: ok 31590
179: ok 31591
179: ok 31592
179: ok 31593
179: ok 31594
179: ok 31595
179: ok 31596
179: ok 31597
179: ok 31598
179: ok 31599
179: ok 31600
179: ok 31601
179: ok 31602
179: ok 31603
179: ok 31604
179: ok 31605
179: ok 31606
179: ok 31607
179: ok 31608
179: ok 31609
179: ok 31610
179: ok 31611
179: ok 31612
179: ok 31613
179: ok 31614
179: ok 31615
179: ok 31616
179: ok 31617
179: ok 31618
179: ok 31619
179: ok 31620
179: ok 31621
179: ok 31622
179: ok 31623
179: ok 31624
179: ok 31625
179: ok 31626
179: ok 31627
179: ok 31628
179: ok 31629
179: ok 31630
179: ok 31631
179: ok 31632
179: ok 31633
179: ok 31634
179: ok 31635
179: ok 31636
179: ok 31637
179: ok 31638
179: ok 31639
179: ok 31640
179: ok 31641
179: ok 31642
179: ok 31643
179: ok 31644
179: ok 31645
179: ok 31646
179: ok 31647
179: ok 31648
179: ok 31649
179: ok 31650
179: ok 31651
179: ok 31652
179: ok 31653
179: ok 31654
179: ok 31655
179: ok 31656
179: ok 31657
179: ok 31658
179: ok 31659
179: ok 31660
179: ok 31661
179: ok 31662
179: ok 31663
179: ok 31664
179: ok 31665
179: ok 31666
179: ok 31667
179: ok 31668
179: ok 31669
179: ok 31670
179: ok 31671
179: ok 31672
179: ok 31673
179: ok 31674
179: ok 31675
179: ok 31676
179: ok 31677
179: ok 31678
179: ok 31679
179: ok 31680
179: ok 31681
179: ok 31682
179: ok 31683
179: ok 31684
179: ok 31685
179: ok 31686
179: ok 31687
179: ok 31688
179: ok 31689
179: ok 31690
179: ok 31691
179: ok 31692
179: ok 31693
179: ok 31694
179: ok 31695
179: ok 31696
179: ok 31697
179: ok 31698
179: ok 31699
179: ok 31700
179: ok 31701
179: ok 31702
179: ok 31703
179: ok 31704
179: ok 31705
179: ok 31706
179: ok 31707
179: ok 31708
179: ok 31709
179: ok 31710
179: ok 31711
179: ok 31712
179: ok 31713
179: ok 31714
179: ok 31715
179: ok 31716
179: ok 31717
179: ok 31718
179: ok 31719
179: ok 31720
179: ok 31721
179: ok 31722
179: ok 31723
179: ok 31724
179: ok 31725
179: ok 31726
179: ok 31727
179: ok 31728
179: ok 31729
179: ok 31730
179: ok 31731
179: ok 31732
179: ok 31733
179: ok 31734
179: ok 31735
179: ok 31736
179: ok 31737
179: ok 31738
179: ok 31739
179: ok 31740
179: ok 31741
179: ok 31742
179: ok 31743
179: ok 31744
179: ok 31745
179: ok 31746
179: ok 31747
179: ok 31748
179: ok 31749
179: ok 31750
179: ok 31751
179: ok 31752
179: ok 31753
179: ok 31754
179: ok 31755
179: ok 31756
179: ok 31757
179: ok 31758
179: ok 31759
179: ok 31760
179: ok 31761
179: ok 31762
179: ok 31763
179: ok 31764
179: ok 31765
179: ok 31766
179: ok 31767
179: ok 31768
179: ok 31769
179: ok 31770
179: ok 31771
179: ok 31772
179: ok 31773
179: ok 31774
179: ok 31775
179: ok 31776
179: ok 31777
179: ok 31778
179: ok 31779
179: ok 31780
179: ok 31781
179: ok 31782
179: ok 31783
179: ok 31784
179: ok 31785
179: ok 31786
179: ok 31787
179: ok 31788
179: ok 31789
179: ok 31790
179: ok 31791
179: ok 31792
179: ok 31793
179: ok 31794
179: ok 31795
179: ok 31796
179: ok 31797
179: ok 31798
179: ok 31799
179: ok 31800
179: ok 31801
179: ok 31802
179: ok 31803
179: ok 31804
179: ok 31805
179: ok 31806
179: ok 31807
179: ok 31808
179: ok 31809
179: ok 31810
179: ok 31811
179: ok 31812
179: ok 31813
179: ok 31814
179: ok 31815
179: ok 31816
179: ok 31817
179: ok 31818
179: ok 31819
179: ok 31820
179: ok 31821
179: ok 31822
179: ok 31823
179: ok 31824
179: ok 31825
179: ok 31826
179: ok 31827
179: ok 31828
179: ok 31829
179: ok 31830
179: ok 31831
179: ok 31832
179: ok 31833
179: ok 31834
179: ok 31835
179: ok 31836
179: ok 31837
179: ok 31838
179: ok 31839
179: ok 31840
179: ok 31841
179: ok 31842
179: ok 31843
179: ok 31844
179: ok 31845
179: ok 31846
179: ok 31847
179: ok 31848
179: ok 31849
179: ok 31850
179: ok 31851
179: ok 31852
179: ok 31853
179: ok 31854
179: ok 31855
179: ok 31856
179: ok 31857
179: ok 31858
179: ok 31859
179: ok 31860
179: ok 31861
179: ok 31862
179: ok 31863
179: ok 31864
179: ok 31865
179: ok 31866
179: ok 31867
179: ok 31868
179: ok 31869
179: ok 31870
179: ok 31871
179: ok 31872
179: ok 31873
179: ok 31874
179: ok 31875
179: ok 31876
179: ok 31877
179: ok 31878
179: ok 31879
179: ok 31880
179: ok 31881
179: ok 31882
179: ok 31883
179: ok 31884
179: ok 31885
179: ok 31886
179: ok 31887
179: ok 31888
179: ok 31889
179: ok 31890
179: ok 31891
179: ok 31892
179: ok 31893
179: ok 31894
179: ok 31895
179: ok 31896
179: ok 31897
179: ok 31898
179: ok 31899
179: ok 31900
179: ok 31901
179: ok 31902
179: ok 31903
179: ok 31904
179: ok 31905
179: ok 31906
179: ok 31907
179: ok 31908
179: ok 31909
179: ok 31910
179: ok 31911
179: ok 31912
179: ok 31913
179: ok 31914
179: ok 31915
179: ok 31916
179: ok 31917
179: ok 31918
179: ok 31919
179: ok 31920
179: ok 31921
179: ok 31922
179: ok 31923
179: ok 31924
179: ok 31925
179: ok 31926
179: ok 31927
179: ok 31928
179: ok 31929
179: ok 31930
179: ok 31931
179: ok 31932
179: ok 31933
179: ok 31934
179: ok 31935
179: ok 31936
179: ok 31937
179: ok 31938
179: ok 31939
179: ok 31940
179: ok 31941
179: ok 31942
179: ok 31943
179: ok 31944
179: ok 31945
179: ok 31946
179: ok 31947
179: ok 31948
179: ok 31949
179: ok 31950
179: ok 31951
179: ok 31952
179: ok 31953
179: ok 31954
179: ok 31955
179: ok 31956
179: ok 31957
179: ok 31958
179: ok 31959
179: ok 31960
179: ok 31961
179: ok 31962
179: ok 31963
179: ok 31964
179: ok 31965
179: ok 31966
179: ok 31967
179: ok 31968
179: ok 31969
179: ok 31970
179: ok 31971
179: ok 31972
179: ok 31973
179: ok 31974
179: ok 31975
179: ok 31976
179: ok 31977
179: ok 31978
179: ok 31979
179: ok 31980
179: ok 31981
179: ok 31982
179: ok 31983
179: ok 31984
179: ok 31985
179: ok 31986
179: ok 31987
179: ok 31988
179: ok 31989
179: ok 31990
179: ok 31991
179: ok 31992
179: ok 31993
179: ok 31994
179: ok 31995
179: ok 31996
179: ok 31997
179: ok 31998
179: ok 31999
179: ok 32000
179: ok 32001
179: ok 32002
179: ok 32003
179: ok 32004
179: ok 32005
179: ok 32006
179: ok 32007
179: ok 32008
179: ok 32009
179: ok 32010
179: ok 32011
179: ok 32012
179: ok 32013
179: ok 32014
179: ok 32015
179: ok 32016
179: ok 32017
179: ok 32018
179: ok 32019
179: ok 32020
179: ok 32021
179: ok 32022
179: ok 32023
179: ok 32024
179: ok 32025
179: ok 32026
179: ok 32027
179: ok 32028
179: ok 32029
179: ok 32030
179: ok 32031
179: ok 32032
179: ok 32033
179: ok 32034
179: ok 32035
179: ok 32036
179: ok 32037
179: ok 32038
179: ok 32039
179: ok 32040
179: ok 32041
179: ok 32042
179: ok 32043
179: ok 32044
179: ok 32045
179: ok 32046
179: ok 32047
179: ok 32048
179: ok 32049
179: ok 32050
179: ok 32051
179: ok 32052
179: ok 32053
179: ok 32054
179: ok 32055
179: ok 32056
179: ok 32057
179: ok 32058
179: ok 32059
179: ok 32060
179: ok 32061
179: ok 32062
179: ok 32063
179: ok 32064
179: ok 32065
179: ok 32066
179: ok 32067
179: ok 32068
179: ok 32069
179: ok 32070
179: ok 32071
179: ok 32072
179: ok 32073
179: ok 32074
179: ok 32075
179: ok 32076
179: ok 32077
179: ok 32078
179: ok 32079
179: ok 32080
179: ok 32081
179: ok 32082
179: ok 32083
179: ok 32084
179: ok 32085
179: ok 32086
179: ok 32087
179: ok 32088
179: ok 32089
179: ok 32090
179: ok 32091
179: ok 32092
179: ok 32093
179: ok 32094
179: ok 32095
179: ok 32096
179: ok 32097
179: ok 32098
179: ok 32099
179: ok 32100
179: ok 32101
179: ok 32102
179: ok 32103
179: ok 32104
179: ok 32105
179: ok 32106
179: ok 32107
179: ok 32108
179: ok 32109
179: ok 32110
179: ok 32111
179: ok 32112
179: ok 32113
179: ok 32114
179: ok 32115
179: ok 32116
179: ok 32117
179: ok 32118
179: ok 32119
179: ok 32120
179: ok 32121
179: ok 32122
179: ok 32123
179: ok 32124
179: ok 32125
179: ok 32126
179: ok 32127
179: ok 32128
179: ok 32129
179: ok 32130
179: ok 32131
179: ok 32132
179: ok 32133
179: ok 32134
179: ok 32135
179: ok 32136
179: ok 32137
179: ok 32138
179: ok 32139
179: ok 32140
179: ok 32141
179: ok 32142
179: ok 32143
179: ok 32144
179: ok 32145
179: ok 32146
179: ok 32147
179: ok 32148
179: ok 32149
179: ok 32150
179: ok 32151
179: ok 32152
179: ok 32153
179: ok 32154
179: ok 32155
179: ok 32156
179: ok 32157
179: ok 32158
179: ok 32159
179: ok 32160
179: ok 32161
179: ok 32162
179: ok 32163
179: ok 32164
179: ok 32165
179: ok 32166
179: ok 32167
179: ok 32168
179: ok 32169
179: ok 32170
179: ok 32171
179: ok 32172
179: ok 32173
179: ok 32174
179: ok 32175
179: ok 32176
179: ok 32177
179: ok 32178
179: ok 32179
179: ok 32180
179: ok 32181
179: ok 32182
179: ok 32183
179: ok 32184
179: ok 32185
179: ok 32186
179: ok 32187
179: ok 32188
179: ok 32189
179: ok 32190
179: ok 32191
179: ok 32192
179: ok 32193
179: ok 32194
179: ok 32195
179: ok 32196
179: ok 32197
179: ok 32198
179: ok 32199
179: ok 32200
179: ok 32201
179: ok 32202
179: ok 32203
179: ok 32204
179: ok 32205
179: ok 32206
179: ok 32207
179: ok 32208
179: ok 32209
179: ok 32210
179: ok 32211
179: ok 32212
179: ok 32213
179: ok 32214
179: ok 32215
179: ok 32216
179: ok 32217
179: ok 32218
179: ok 32219
179: ok 32220
179: ok 32221
179: ok 32222
179: ok 32223
179: ok 32224
179: ok 32225
179: ok 32226
179: ok 32227
179: ok 32228
179: ok 32229
179: ok 32230
179: ok 32231
179: ok 32232
179: ok 32233
179: ok 32234
179: ok 32235
179: ok 32236
179: ok 32237
179: ok 32238
179: ok 32239
179: ok 32240
179: ok 32241
179: ok 32242
179: ok 32243
179: ok 32244
179: ok 32245
179: ok 32246
179: ok 32247
179: ok 32248
179: ok 32249
179: ok 32250
179: ok 32251
179: ok 32252
179: ok 32253
179: ok 32254
179: ok 32255
179: ok 32256
179: ok 32257
179: ok 32258
179: ok 32259
179: ok 32260
179: ok 32261
179: ok 32262
179: ok 32263
179: ok 32264
179: ok 32265
179: ok 32266
179: ok 32267
179: ok 32268
179: ok 32269
179: ok 32270
179: ok 32271
179: ok 32272
179: ok 32273
179: ok 32274
179: ok 32275
179: ok 32276
179: ok 32277
179: ok 32278
179: ok 32279
179: ok 32280
179: ok 32281
179: ok 32282
179: ok 32283
179: ok 32284
179: ok 32285
179: ok 32286
179: ok 32287
179: ok 32288
179: ok 32289
179: ok 32290
179: ok 32291
179: ok 32292
179: ok 32293
179: ok 32294
179: ok 32295
179: ok 32296
179: ok 32297
179: ok 32298
179: ok 32299
179: ok 32300
179: ok 32301
179: ok 32302
179: ok 32303
179: ok 32304
179: ok 32305
179: ok 32306
179: ok 32307
179: ok 32308
179: ok 32309
179: ok 32310
179: ok 32311
179: ok 32312
179: ok 32313
179: ok 32314
179: ok 32315
179: ok 32316
179: ok 32317
179: ok 32318
179: ok 32319
179: ok 32320
179: ok 32321
179: ok 32322
179: ok 32323
179: ok 32324
179: ok 32325
179: ok 32326
179: ok 32327
179: ok 32328
179: ok 32329
179: ok 32330
179: ok 32331
179: ok 32332
179: ok 32333
179: ok 32334
179: ok 32335
179: ok 32336
179: ok 32337
179: ok 32338
179: ok 32339
179: ok 32340
179: ok 32341
179: ok 32342
179: ok 32343
179: ok 32344
179: ok 32345
179: ok 32346
179: ok 32347
179: ok 32348
179: ok 32349
179: ok 32350
179: ok 32351
179: ok 32352
179: ok 32353
179: ok 32354
179: ok 32355
179: ok 32356
179: ok 32357
179: ok 32358
179: ok 32359
179: ok 32360
179: ok 32361
179: ok 32362
179: ok 32363
179: ok 32364
179: ok 32365
179: ok 32366
179: ok 32367
179: ok 32368
179: ok 32369
179: ok 32370
179: ok 32371
179: ok 32372
179: ok 32373
179: ok 32374
179: ok 32375
179: ok 32376
179: ok 32377
179: ok 32378
179: ok 32379
179: ok 32380
179: ok 32381
179: ok 32382
179: ok 32383
179: ok 32384
179: ok 32385
179: ok 32386
179: ok 32387
179: ok 32388
179: ok 32389
179: ok 32390
179: ok 32391
179: ok 32392
179: ok 32393
179: ok 32394
179: ok 32395
179: ok 32396
179: ok 32397
179: ok 32398
179: ok 32399
179: ok 32400
179: ok 32401
179: ok 32402
179: ok 32403
179: ok 32404
179: ok 32405
179: ok 32406
179: ok 32407
179: ok 32408
179: ok 32409
179: ok 32410
179: ok 32411
179: ok 32412
179: ok 32413
179: ok 32414
179: ok 32415
179: ok 32416
179: ok 32417
179: ok 32418
179: ok 32419
179: ok 32420
179: ok 32421
179: ok 32422
179: ok 32423
179: ok 32424
179: ok 32425
179: ok 32426
179: ok 32427
179: ok 32428
179: ok 32429
179: ok 32430
179: ok 32431
179: ok 32432
179: ok 32433
179: ok 32434
179: ok 32435
179: ok 32436
179: ok 32437
179: ok 32438
179: ok 32439
179: ok 32440
179: ok 32441
179: ok 32442
179: ok 32443
179: ok 32444
179: ok 32445
179: ok 32446
179: ok 32447
179: ok 32448
179: ok 32449
179: ok 32450
179: ok 32451
179: ok 32452
179: ok 32453
179: ok 32454
179: ok 32455
179: ok 32456
179: ok 32457
179: ok 32458
179: ok 32459
179: ok 32460
179: ok 32461
179: ok 32462
179: ok 32463
179: ok 32464
179: ok 32465
179: ok 32466
179: ok 32467
179: ok 32468
179: ok 32469
179: ok 32470
179: ok 32471
179: ok 32472
179: ok 32473
179: ok 32474
179: ok 32475
179: ok 32476
179: ok 32477
179: ok 32478
179: ok 32479
179: ok 32480
179: ok 32481
179: ok 32482
179: ok 32483
179: ok 32484
179: ok 32485
179: ok 32486
179: ok 32487
179: ok 32488
179: ok 32489
179: ok 32490
179: ok 32491
179: ok 32492
179: ok 32493
179: ok 32494
179: ok 32495
179: ok 32496
179: ok 32497
179: ok 32498
179: ok 32499
179: ok 32500
179: ok 32501
179: ok 32502
179: ok 32503
179: ok 32504
179: ok 32505
179: ok 32506
179: ok 32507
179: ok 32508
179: ok 32509
179: ok 32510
179: ok 32511
179: ok 32512
179: ok 32513
179: ok 32514
179: ok 32515
179: ok 32516
179: ok 32517
179: ok 32518
179: ok 32519
179: ok 32520
179: ok 32521
179: ok 32522
179: ok 32523
179: ok 32524
179: ok 32525
179: ok 32526
179: ok 32527
179: ok 32528
179: ok 32529
179: ok 32530
179: ok 32531
179: ok 32532
179: ok 32533
179: ok 32534
179: ok 32535
179: ok 32536
179: ok 32537
179: ok 32538
179: ok 32539
179: ok 32540
179: ok 32541
179: ok 32542
179: ok 32543
179: ok 32544
179: ok 32545
179: ok 32546
179: ok 32547
179: ok 32548
179: ok 32549
179: ok 32550
179: ok 32551
179: ok 32552
179: ok 32553
179: ok 32554
179: ok 32555
179: ok 32556
179: ok 32557
179: ok 32558
179: ok 32559
179: ok 32560
179: ok 32561
179: ok 32562
179: ok 32563
179: ok 32564
179: ok 32565
179: ok 32566
179: ok 32567
179: ok 32568
179: ok 32569
179: ok 32570
179: ok 32571
179: ok 32572
179: ok 32573
179: ok 32574
179: ok 32575
179: ok 32576
179: ok 32577
179: ok 32578
179: ok 32579
179: ok 32580
179: ok 32581
179: ok 32582
179: ok 32583
179: ok 32584
179: ok 32585
179: ok 32586
179: ok 32587
179: ok 32588
179: ok 32589
179: ok 32590
179: ok 32591
179: ok 32592
179: ok 32593
179: ok 32594
179: ok 32595
179: ok 32596
179: ok 32597
179: ok 32598
179: ok 32599
179: ok 32600
179: ok 32601
179: ok 32602
179: ok 32603
179: ok 32604
179: ok 32605
179: ok 32606
179: ok 32607
179: ok 32608
179: ok 32609
179: ok 32610
179: ok 32611
179: ok 32612
179: ok 32613
179: ok 32614
179: ok 32615
179: ok 32616
179: ok 32617
179: ok 32618
179: ok 32619
179: ok 32620
179: ok 32621
179: ok 32622
179: ok 32623
179: ok 32624
179: ok 32625
179: ok 32626
179: ok 32627
179: ok 32628
179: ok 32629
179: ok 32630
179: ok 32631
179: ok 32632
179: ok 32633
179: ok 32634
179: ok 32635
179: ok 32636
179: ok 32637
179: ok 32638
179: ok 32639
179: ok 32640
179: ok 32641
179: ok 32642
179: ok 32643
179: ok 32644
179: ok 32645
179: ok 32646
179: ok 32647
179: ok 32648
179: ok 32649
179: ok 32650
179: ok 32651
179: ok 32652
179: ok 32653
179: ok 32654
179: ok 32655
179: ok 32656
179: ok 32657
179: ok 32658
179: ok 32659
179: ok 32660
179: ok 32661
179: ok 32662
179: ok 32663
179: ok 32664
179: ok 32665
179: ok 32666
179: ok 32667
179: ok 32668
179: ok 32669
179: ok 32670
179: ok 32671
179: ok 32672
179: ok 32673
179: ok 32674
179: ok 32675
179: ok 32676
179: ok 32677
179: ok 32678
179: ok 32679
179: ok 32680
179: ok 32681
179: ok 32682
179: ok 32683
179: ok 32684
179: ok 32685
179: ok 32686
179: ok 32687
179: ok 32688
179: ok 32689
179: ok 32690
179: ok 32691
179: ok 32692
179: ok 32693
179: ok 32694
179: ok 32695
179: ok 32696
179: ok 32697
179: ok 32698
179: ok 32699
179: ok 32700
179: ok 32701
179: ok 32702
179: ok 32703
179: ok 32704
179: ok 32705
179: ok 32706
179: ok 32707
179: ok 32708
179: ok 32709
179: ok 32710
179: ok 32711
179: ok 32712
179: ok 32713
179: ok 32714
179: ok 32715
179: ok 32716
179: ok 32717
179: ok 32718
179: ok 32719
179: ok 32720
179: ok 32721
179: ok 32722
179: ok 32723
179: ok 32724
179: ok 32725
179: ok 32726
179: ok 32727
179: ok 32728
179: ok 32729
179: ok 32730
179: ok 32731
179: ok 32732
179: ok 32733
179: ok 32734
179: ok 32735
179: ok 32736
179: ok 32737
179: ok 32738
179: ok 32739
179: ok 32740
179: ok 32741
179: ok 32742
179: ok 32743
179: ok 32744
179: ok 32745
179: ok 32746
179: ok 32747
179: ok 32748
179: ok 32749
179: ok 32750
179: ok 32751
179: ok 32752
179: ok 32753
179: ok 32754
179: ok 32755
179: ok 32756
179: ok 32757
179: ok 32758
179: ok 32759
179: ok 32760
179: ok 32761
179: ok 32762
179: ok 32763
179: ok 32764
179: ok 32765
179: ok 32766
179: ok 32767
179: ok 32768
179: ok 32769
179: ok 32770
179: ok 32771
179: ok 32772
179: ok 32773
179: ok 32774
179: ok 32775
179: ok 32776
179: ok 32777
179: ok 32778
179: ok 32779
179: ok 32780
179: ok 32781
179: ok 32782
179: ok 32783
179: ok 32784
179: ok 32785
179: ok 32786
179: ok 32787
179: ok 32788
179: ok 32789
179: ok 32790
179: ok 32791
179: ok 32792
179: ok 32793
179: ok 32794
179: ok 32795
179: ok 32796
179: ok 32797
179: ok 32798
179: ok 32799
179: ok 32800
179: ok 32801
179: ok 32802
179: ok 32803
179: ok 32804
179: ok 32805
179: ok 32806
179: ok 32807
179: ok 32808
179: ok 32809
179: ok 32810
179: ok 32811
179: ok 32812
179: ok 32813
179: ok 32814
179: ok 32815
179: ok 32816
179: ok 32817
179: ok 32818
179: ok 32819
179: ok 32820
179: ok 32821
179: ok 32822
179: ok 32823
179: ok 32824
179: ok 32825
179: ok 32826
179: ok 32827
179: ok 32828
179: ok 32829
179: ok 32830
179: ok 32831
179: ok 32832
179: ok 32833
179: ok 32834
179: ok 32835
179: ok 32836
179: ok 32837
179: ok 32838
179: ok 32839
179: ok 32840
179: ok 32841
179: ok 32842
179: ok 32843
179: ok 32844
179: ok 32845
179: ok 32846
179: ok 32847
179: ok 32848
179: ok 32849
179: ok 32850
179: ok 32851
179: ok 32852
179: ok 32853
179: ok 32854
179: ok 32855
179: ok 32856
179: ok 32857
179: ok 32858
179: ok 32859
179: ok 32860
179: ok 32861
179: ok 32862
179: ok 32863
179: ok 32864
179: ok 32865
179: ok 32866
179: ok 32867
179: ok 32868
179: ok 32869
179: ok 32870
179: ok 32871
179: ok 32872
179: ok 32873
179: ok 32874
179: ok 32875
179: ok 32876
179: ok 32877
179: ok 32878
179: ok 32879
179: ok 32880
179: ok 32881
179: ok 32882
179: ok 32883
179: ok 32884
179: ok 32885
179: ok 32886
179: ok 32887
179: ok 32888
179: ok 32889
179: ok 32890
179: ok 32891
179: ok 32892
179: ok 32893
179: ok 32894
179: ok 32895
179: ok 32896
179: ok 32897
179: ok 32898
179: ok 32899
179: ok 32900
179: ok 32901
179: ok 32902
179: ok 32903
179: ok 32904
179: ok 32905
179: ok 32906
179: ok 32907
179: ok 32908
179: ok 32909
179: ok 32910
179: ok 32911
179: ok 32912
179: ok 32913
179: ok 32914
179: ok 32915
179: ok 32916
179: ok 32917
179: ok 32918
179: ok 32919
179: ok 32920
179: ok 32921
179: ok 32922
179: ok 32923
179: ok 32924
179: ok 32925
179: ok 32926
179: ok 32927
179: ok 32928
179: ok 32929
179: ok 32930
179: ok 32931
179: ok 32932
179: ok 32933
179: ok 32934
179: ok 32935
179: ok 32936
179: ok 32937
179: ok 32938
179: ok 32939
179: ok 32940
179: ok 32941
179: ok 32942
179: ok 32943
179: ok 32944
179: ok 32945
179: ok 32946
179: ok 32947
179: ok 32948
179: ok 32949
179: ok 32950
179: ok 32951
179: ok 32952
179: ok 32953
179: ok 32954
179: ok 32955
179: ok 32956
179: ok 32957
179: ok 32958
179: ok 32959
179: ok 32960
179: ok 32961
179: ok 32962
179: ok 32963
179: ok 32964
179: ok 32965
179: ok 32966
179: ok 32967
179: ok 32968
179: ok 32969
179: ok 32970
179: ok 32971
179: ok 32972
179: ok 32973
179: ok 32974
179: ok 32975
179: ok 32976
179: ok 32977
179: ok 32978
179: ok 32979
179: ok 32980
179: ok 32981
179: ok 32982
179: ok 32983
179: ok 32984
179: ok 32985
179: ok 32986
179: ok 32987
179: ok 32988
179: ok 32989
179: ok 32990
179: ok 32991
179: ok 32992
179: ok 32993
179: ok 32994
179: ok 32995
179: ok 32996
179: ok 32997
179: ok 32998
179: ok 32999
179: ok 33000
179: ok 33001
179: ok 33002
179: ok 33003
179: ok 33004
179: ok 33005
179: ok 33006
179: ok 33007
179: ok 33008
179: ok 33009
179: ok 33010
179: ok 33011
179: ok 33012
179: ok 33013
179: ok 33014
179: ok 33015
179: ok 33016
179: ok 33017
179: ok 33018
179: ok 33019
179: ok 33020
179: ok 33021
179: ok 33022
179: ok 33023
179: ok 33024
179: ok 33025
179: ok 33026
179: ok 33027
179: ok 33028
179: ok 33029
179: ok 33030
179: ok 33031
179: ok 33032
179: ok 33033
179: ok 33034
179: ok 33035
179: ok 33036
179: ok 33037
179: ok 33038
179: ok 33039
179: ok 33040
179: ok 33041
179: ok 33042
179: ok 33043
179: ok 33044
179: ok 33045
179: ok 33046
179: ok 33047
179: ok 33048
179: ok 33049
179: ok 33050
179: ok 33051
179: ok 33052
179: ok 33053
179: ok 33054
179: ok 33055
179: ok 33056
179: ok 33057
179: ok 33058
179: ok 33059
179: ok 33060
179: ok 33061
179: ok 33062
179: ok 33063
179: ok 33064
179: ok 33065
179: ok 33066
179: ok 33067
179: ok 33068
179: ok 33069
179: ok 33070
179: ok 33071
179: ok 33072
179: ok 33073
179: ok 33074
179: ok 33075
179: ok 33076
179: ok 33077
179: ok 33078
179: ok 33079
179: ok 33080
179: ok 33081
179: ok 33082
179: ok 33083
179: ok 33084
179: ok 33085
179: ok 33086
179: ok 33087
179: ok 33088
179: ok 33089
179: ok 33090
179: ok 33091
179: ok 33092
179: ok 33093
179: ok 33094
179: ok 33095
179: ok 33096
179: ok 33097
179: ok 33098
179: ok 33099
179: ok 33100
179: ok 33101
179: ok 33102
179: ok 33103
179: ok 33104
179: ok 33105
179: ok 33106
179: ok 33107
179: ok 33108
179: ok 33109
179: ok 33110
179: ok 33111
179: ok 33112
179: ok 33113
179: ok 33114
179: ok 33115
179: ok 33116
179: ok 33117
179: ok 33118
179: ok 33119
179: ok 33120
179: ok 33121
179: ok 33122
179: ok 33123
179: ok 33124
179: ok 33125
179: ok 33126
179: ok 33127
179: ok 33128
179: ok 33129
179: ok 33130
179: ok 33131
179: ok 33132
179: ok 33133
179: ok 33134
179: ok 33135
179: ok 33136
179: ok 33137
179: ok 33138
179: ok 33139
179: ok 33140
179: ok 33141
179: ok 33142
179: ok 33143
179: ok 33144
179: ok 33145
179: ok 33146
179: ok 33147
179: ok 33148
179: ok 33149
179: ok 33150
179: ok 33151
179: ok 33152
179: ok 33153
179: ok 33154
179: ok 33155
179: ok 33156
179: ok 33157
179: ok 33158
179: ok 33159
179: ok 33160
179: ok 33161
179: ok 33162
179: ok 33163
179: ok 33164
179: ok 33165
179: ok 33166
179: ok 33167
179: ok 33168
179: ok 33169
179: ok 33170
179: ok 33171
179: ok 33172
179: ok 33173
179: ok 33174
179: ok 33175
179: ok 33176
179: ok 33177
179: ok 33178
179: ok 33179
179: ok 33180
179: ok 33181
179: ok 33182
179: ok 33183
179: ok 33184
179: ok 33185
179: ok 33186
179: ok 33187
179: ok 33188
179: ok 33189
179: ok 33190
179: ok 33191
179: ok 33192
179: ok 33193
179: ok 33194
179: ok 33195
179: ok 33196
179: ok 33197
179: ok 33198
179: ok 33199
179: ok 33200
179: ok 33201
179: ok 33202
179: ok 33203
179: ok 33204
179: ok 33205
179: ok 33206
179: ok 33207
179: ok 33208
179: ok 33209
179: ok 33210
179: ok 33211
179: ok 33212
179: ok 33213
179: ok 33214
179: ok 33215
179: ok 33216
179: ok 33217
179: ok 33218
179: ok 33219
179: ok 33220
179: ok 33221
179: ok 33222
179: ok 33223
179: ok 33224
179: ok 33225
179: ok 33226
179: ok 33227
179: ok 33228
179: ok 33229
179: ok 33230
179: ok 33231
179: ok 33232
179: ok 33233
179: ok 33234
179: ok 33235
179: ok 33236
179: ok 33237
179: ok 33238
179: ok 33239
179: ok 33240
179: ok 33241
179: ok 33242
179: ok 33243
179: ok 33244
179: ok 33245
179: ok 33246
179: ok 33247
179: ok 33248
179: ok 33249
179: ok 33250
179: ok 33251
179: ok 33252
179: ok 33253
179: ok 33254
179: ok 33255
179: ok 33256
179: ok 33257
179: ok 33258
179: ok 33259
179: ok 33260
179: ok 33261
179: ok 33262
179: ok 33263
179: ok 33264
179: ok 33265
179: ok 33266
179: ok 33267
179: ok 33268
179: ok 33269
179: ok 33270
179: ok 33271
179: ok 33272
179: ok 33273
179: ok 33274
179: ok 33275
179: ok 33276
179: ok 33277
179: ok 33278
179: ok 33279
179: ok 33280
179: ok 33281
179: ok 33282
179: ok 33283
179: ok 33284
179: ok 33285
179: ok 33286
179: ok 33287
179: ok 33288
179: ok 33289
179: ok 33290
179: ok 33291
179: ok 33292
179: ok 33293
179: ok 33294
179: ok 33295
179: ok 33296
179: ok 33297
179: ok 33298
179: ok 33299
179: ok 33300
179: ok 33301
179: ok 33302
179: ok 33303
179: ok 33304
179: ok 33305
179: ok 33306
179: ok 33307
179: ok 33308
179: ok 33309
179: ok 33310
179: ok 33311
179: ok 33312
179: ok 33313
179: ok 33314
179: ok 33315
179: ok 33316
179: ok 33317
179: ok 33318
179: ok 33319
179: ok 33320
179: ok 33321
179: ok 33322
179: ok 33323
179: ok 33324
179: ok 33325
179: ok 33326
179: ok 33327
179: ok 33328
179: ok 33329
179: ok 33330
179: ok 33331
179: ok 33332
179: ok 33333
179: ok 33334
179: ok 33335
179: ok 33336
179: ok 33337
179: ok 33338
179: ok 33339
179: ok 33340
179: ok 33341
179: ok 33342
179: ok 33343
179: ok 33344
179: ok 33345
179: ok 33346
179: ok 33347
179: ok 33348
179: ok 33349
179: ok 33350
179: ok 33351
179: ok 33352
179: ok 33353
179: ok 33354
179: ok 33355
179: ok 33356
179: ok 33357
179: ok 33358
179: ok 33359
179: ok 33360
179: ok 33361
179: ok 33362
179: ok 33363
179: ok 33364
179: ok 33365
179: ok 33366
179: ok 33367
179: ok 33368
179: ok 33369
179: ok 33370
179: ok 33371
179: ok 33372
179: ok 33373
179: ok 33374
179: ok 33375
179: ok 33376
179: ok 33377
179: ok 33378
179: ok 33379
179: ok 33380
179: ok 33381
179: ok 33382
179: ok 33383
179: ok 33384
179: ok 33385
179: ok 33386
179: ok 33387
179: ok 33388
179: ok 33389
179: ok 33390
179: ok 33391
179: ok 33392
179: ok 33393
179: ok 33394
179: ok 33395
179: ok 33396
179: ok 33397
179: ok 33398
179: ok 33399
179: ok 33400
179: ok 33401
179: ok 33402
179: ok 33403
179: ok 33404
179: ok 33405
179: ok 33406
179: ok 33407
179: ok 33408
179: ok 33409
179: ok 33410
179: ok 33411
179: ok 33412
179: ok 33413
179: ok 33414
179: ok 33415
179: ok 33416
179: ok 33417
179: ok 33418
179: ok 33419
179: ok 33420
179: ok 33421
179: ok 33422
179: ok 33423
179: ok 33424
179: ok 33425
179: ok 33426
179: ok 33427
179: ok 33428
179: ok 33429
179: ok 33430
179: ok 33431
179: ok 33432
179: ok 33433
179: ok 33434
179: ok 33435
179: ok 33436
179: ok 33437
179: ok 33438
179: ok 33439
179: ok 33440
179: ok 33441
179: ok 33442
179: ok 33443
179: ok 33444
179: ok 33445
179: ok 33446
179: ok 33447
179: ok 33448
179: ok 33449
179: ok 33450
179: ok 33451
179: ok 33452
179: ok 33453
179: ok 33454
179: ok 33455
179: ok 33456
179: ok 33457
179: ok 33458
179: ok 33459
179: ok 33460
179: ok 33461
179: ok 33462
179: ok 33463
179: ok 33464
179: ok 33465
179: ok 33466
179: ok 33467
179: ok 33468
179: ok 33469
179: ok 33470
179: ok 33471
179: ok 33472
179: ok 33473
179: ok 33474
179: ok 33475
179: ok 33476
179: ok 33477
179: ok 33478
179: ok 33479
179: ok 33480
179: ok 33481
179: ok 33482
179: ok 33483
179: ok 33484
179: ok 33485
179: ok 33486
179: ok 33487
179: ok 33488
179: ok 33489
179: ok 33490
179: ok 33491
179: ok 33492
179: ok 33493
179: ok 33494
179: ok 33495
179: ok 33496
179: ok 33497
179: ok 33498
179: ok 33499
179: ok 33500
179: ok 33501
179: ok 33502
179: ok 33503
179: ok 33504
179: ok 33505
179: ok 33506
179: ok 33507
179: ok 33508
179: ok 33509
179: ok 33510
179: ok 33511
179: ok 33512
179: ok 33513
179: ok 33514
179: ok 33515
179: ok 33516
179: ok 33517
179: ok 33518
179: ok 33519
179: ok 33520
179: ok 33521
179: ok 33522
179: ok 33523
179: ok 33524
179: ok 33525
179: ok 33526
179: ok 33527
179: ok 33528
179: ok 33529
179: ok 33530
179: ok 33531
179: ok 33532
179: ok 33533
179: ok 33534
179: ok 33535
179: ok 33536
179: ok 33537
179: ok 33538
179: ok 33539
179: ok 33540
179: ok 33541
179: ok 33542
179: ok 33543
179: ok 33544
179: ok 33545
179: ok 33546
179: ok 33547
179: ok 33548
179: ok 33549
179: ok 33550
179: ok 33551
179: ok 33552
179: ok 33553
179: ok 33554
179: ok 33555
179: ok 33556
179: ok 33557
179: ok 33558
179: ok 33559
179: ok 33560
179: ok 33561
179: ok 33562
179: ok 33563
179: ok 33564
179: ok 33565
179: ok 33566
179: ok 33567
179: ok 33568
179: ok 33569
179: ok 33570
179: ok 33571
179: ok 33572
179: ok 33573
179: ok 33574
179: ok 33575
179: ok 33576
179: ok 33577
179: ok 33578
179: ok 33579
179: ok 33580
179: ok 33581
179: ok 33582
179: ok 33583
179: ok 33584
179: ok 33585
179: ok 33586
179: ok 33587
179: ok 33588
179: ok 33589
179: ok 33590
179: ok 33591
179: ok 33592
179: ok 33593
179: ok 33594
179: ok 33595
179: ok 33596
179: ok 33597
179: ok 33598
179: ok 33599
179: ok 33600
179: ok 33601
179: ok 33602
179: ok 33603
179: ok 33604
179: ok 33605
179: ok 33606
179: ok 33607
179: ok 33608
179: ok 33609
179: ok 33610
179: ok 33611
179: ok 33612
179: ok 33613
179: ok 33614
179: ok 33615
179: ok 33616
179: ok 33617
179: ok 33618
179: ok 33619
179: ok 33620
179: ok 33621
179: ok 33622
179: ok 33623
179: ok 33624
179: ok 33625
179: ok 33626
179: ok 33627
179: ok 33628
179: ok 33629
179: ok 33630
179: ok 33631
179: ok 33632
179: ok 33633
179: ok 33634
179: ok 33635
179: ok 33636
179: ok 33637
179: ok 33638
179: ok 33639
179: ok 33640
179: ok 33641
179: ok 33642
179: ok 33643
179: ok 33644
179: ok 33645
179: ok 33646
179: ok 33647
179: ok 33648
179: ok 33649
179: ok 33650
179: ok 33651
179: ok 33652
179: ok 33653
179: ok 33654
179: ok 33655
179: ok 33656
179: ok 33657
179: ok 33658
179: ok 33659
179: ok 33660
179: ok 33661
179: ok 33662
179: ok 33663
179: ok 33664
179: ok 33665
179: ok 33666
179: ok 33667
179: ok 33668
179: ok 33669
179: ok 33670
179: ok 33671
179: ok 33672
179: ok 33673
179: ok 33674
179: ok 33675
179: ok 33676
179: ok 33677
179: ok 33678
179: ok 33679
179: ok 33680
179: ok 33681
179: ok 33682
179: ok 33683
179: ok 33684
179: ok 33685
179: ok 33686
179: ok 33687
179: ok 33688
179: ok 33689
179: ok 33690
179: ok 33691
179: ok 33692
179: ok 33693
179: ok 33694
179: ok 33695
179: ok 33696
179: ok 33697
179: ok 33698
179: ok 33699
179: ok 33700
179: ok 33701
179: ok 33702
179: ok 33703
179: ok 33704
179: ok 33705
179: ok 33706
179: ok 33707
179: ok 33708
179: ok 33709
179: ok 33710
179: ok 33711
179: ok 33712
179: ok 33713
179: ok 33714
179: ok 33715
179: ok 33716
179: ok 33717
179: ok 33718
179: ok 33719
179: ok 33720
179: ok 33721
179: ok 33722
179: ok 33723
179: ok 33724
179: ok 33725
179: ok 33726
179: ok 33727
179: ok 33728
179: ok 33729
179: ok 33730
179: ok 33731
179: ok 33732
179: ok 33733
179: ok 33734
179: ok 33735
179: ok 33736
179: ok 33737
179: ok 33738
179: ok 33739
179: ok 33740
179: ok 33741
179: ok 33742
179: ok 33743
179: ok 33744
179: ok 33745
179: ok 33746
179: ok 33747
179: ok 33748
179: ok 33749
179: ok 33750
179: ok 33751
179: ok 33752
179: ok 33753
179: ok 33754
179: ok 33755
179: ok 33756
179: ok 33757
179: ok 33758
179: ok 33759
179: ok 33760
179: ok 33761
179: ok 33762
179: ok 33763
179: ok 33764
179: ok 33765
179: ok 33766
179: ok 33767
179: ok 33768
179: ok 33769
179: ok 33770
179: ok 33771
179: ok 33772
179: ok 33773
179: ok 33774
179: ok 33775
179: ok 33776
179: ok 33777
179: ok 33778
179: ok 33779
179: ok 33780
179: ok 33781
179: ok 33782
179: ok 33783
179: ok 33784
179: ok 33785
179: ok 33786
179: ok 33787
179: ok 33788
179: ok 33789
179: ok 33790
179: ok 33791
179: ok 33792
179: ok 33793
179: ok 33794
179: ok 33795
179: ok 33796
179: ok 33797
179: ok 33798
179: ok 33799
179: ok 33800
179: ok 33801
179: ok 33802
179: ok 33803
179: ok 33804
179: ok 33805
179: ok 33806
179: ok 33807
179: ok 33808
179: ok 33809
179: ok 33810
179: ok 33811
179: ok 33812
179: ok 33813
179: ok 33814
179: ok 33815
179: ok 33816
179: ok 33817
179: ok 33818
179: ok 33819
179: ok 33820
179: ok 33821
179: ok 33822
179: ok 33823
179: ok 33824
179: ok 33825
179: ok 33826
179: ok 33827
179: ok 33828
179: ok 33829
179: ok 33830
179: ok 33831
179: ok 33832
179: ok 33833
179: ok 33834
179: ok 33835
179: ok 33836
179: ok 33837
179: ok 33838
179: ok 33839
179: ok 33840
179: ok 33841
179: ok 33842
179: ok 33843
179: ok 33844
179: ok 33845
179: ok 33846
179: ok 33847
179: ok 33848
179: ok 33849
179: ok 33850
179: ok 33851
179: ok 33852
179: ok 33853
179: ok 33854
179: ok 33855
179: ok 33856
179: ok 33857
179: ok 33858
179: ok 33859
179: ok 33860
179: ok 33861
179: ok 33862
179: ok 33863
179: ok 33864
179: ok 33865
179: ok 33866
179: ok 33867
179: ok 33868
179: ok 33869
179: ok 33870
179: ok 33871
179: ok 33872
179: ok 33873
179: ok 33874
179: ok 33875
179: ok 33876
179: ok 33877
179: ok 33878
179: ok 33879
179: ok 33880
179: ok 33881
179: ok 33882
179: ok 33883
179: ok 33884
179: ok 33885
179: ok 33886
179: ok 33887
179: ok 33888
179: ok 33889
179: ok 33890
179: ok 33891
179: ok 33892
179: ok 33893
179: ok 33894
179: ok 33895
179: ok 33896
179: ok 33897
179: ok 33898
179: ok 33899
179: ok 33900
179: ok 33901
179: ok 33902
179: ok 33903
179: ok 33904
179: ok 33905
179: ok 33906
179: ok 33907
179: ok 33908
179: ok 33909
179: ok 33910
179: ok 33911
179: ok 33912
179: ok 33913
179: ok 33914
179: ok 33915
179: ok 33916
179: ok 33917
179: ok 33918
179: ok 33919
179: ok 33920
179: ok 33921
179: ok 33922
179: ok 33923
179: ok 33924
179: ok 33925
179: ok 33926
179: ok 33927
179: ok 33928
179: ok 33929
179: ok 33930
179: ok 33931
179: ok 33932
179: ok 33933
179: ok 33934
179: ok 33935
179: ok 33936
179: ok 33937
179: ok 33938
179: ok 33939
179: ok 33940
179: ok 33941
179: ok 33942
179: ok 33943
179: ok 33944
179: ok 33945
179: ok 33946
179: ok 33947
179: ok 33948
179: ok 33949
179: ok 33950
179: ok 33951
179: ok 33952
179: ok 33953
179: ok 33954
179: ok 33955
179: ok 33956
179: ok 33957
179: ok 33958
179: ok 33959
179: ok 33960
179: ok 33961
179: ok 33962
179: ok 33963
179: ok 33964
179: ok 33965
179: ok 33966
179: ok 33967
179: ok 33968
179: ok 33969
179: ok 33970
179: ok 33971
179: ok 33972
179: ok 33973
179: ok 33974
179: ok 33975
179: ok 33976
179: ok 33977
179: ok 33978
179: ok 33979
179: ok 33980
179: ok 33981
179: ok 33982
179: ok 33983
179: ok 33984
179: ok 33985
179: ok 33986
179: ok 33987
179: ok 33988
179: ok 33989
179: ok 33990
179: ok 33991
179: ok 33992
179: ok 33993
179: ok 33994
179: ok 33995
179: ok 33996
179: ok 33997
179: ok 33998
179: ok 33999
179: ok 34000
179: ok 34001
179: ok 34002
179: ok 34003
179: ok 34004
179: ok 34005
179: ok 34006
179: ok 34007
179: ok 34008
179: ok 34009
179: ok 34010
179: ok 34011
179: ok 34012
179: ok 34013
179: ok 34014
179: ok 34015
179: ok 34016
179: ok 34017
179: ok 34018
179: ok 34019
179: ok 34020
179: ok 34021
179: ok 34022
179: ok 34023
179: ok 34024
179: ok 34025
179: ok 34026
179: ok 34027
179: ok 34028
179: ok 34029
179: ok 34030
179: ok 34031
179: ok 34032
179: ok 34033
179: ok 34034
179: ok 34035
179: ok 34036
179: ok 34037
179: ok 34038
179: ok 34039
179: ok 34040
179: ok 34041
179: ok 34042
179: ok 34043
179: ok 34044
179: ok 34045
179: ok 34046
179: ok 34047
179: ok 34048
179: ok 34049
179: ok 34050
179: ok 34051
179: ok 34052
179: ok 34053
179: ok 34054
179: ok 34055
179: ok 34056
179: ok 34057
179: ok 34058
179: ok 34059
179: ok 34060
179: ok 34061
179: ok 34062
179: ok 34063
179: ok 34064
179: ok 34065
179: ok 34066
179: ok 34067
179: ok 34068
179: ok 34069
179: ok 34070
179: ok 34071
179: ok 34072
179: ok 34073
179: ok 34074
179: ok 34075
179: ok 34076
179: ok 34077
179: ok 34078
179: ok 34079
179: ok 34080
179: ok 34081
179: ok 34082
179: ok 34083
179: ok 34084
179: ok 34085
179: ok 34086
179: ok 34087
179: ok 34088
179: ok 34089
179: ok 34090
179: ok 34091
179: ok 34092
179: ok 34093
179: ok 34094
179: ok 34095
179: ok 34096
179: ok 34097
179: ok 34098
179: ok 34099
179: ok 34100
179: ok 34101
179: ok 34102
179: ok 34103
179: ok 34104
179: ok 34105
179: ok 34106
179: ok 34107
179: ok 34108
179: ok 34109
179: ok 34110
179: ok 34111
179: ok 34112
179: ok 34113
179: ok 34114
179: ok 34115
179: ok 34116
179: ok 34117
179: ok 34118
179: ok 34119
179: ok 34120
179: ok 34121
179: ok 34122
179: ok 34123
179: ok 34124
179: ok 34125
179: ok 34126
179: ok 34127
179: ok 34128
179: ok 34129
179: ok 34130
179: ok 34131
179: ok 34132
179: ok 34133
179: ok 34134
179: ok 34135
179: ok 34136
179: ok 34137
179: ok 34138
179: ok 34139
179: ok 34140
179: ok 34141
179: ok 34142
179: ok 34143
179: ok 34144
179: ok 34145
179: ok 34146
179: ok 34147
179: ok 34148
179: ok 34149
179: ok 34150
179: ok 34151
179: ok 34152
179: ok 34153
179: ok 34154
179: ok 34155
179: ok 34156
179: ok 34157
179: ok 34158
179: ok 34159
179: ok 34160
179: ok 34161
179: ok 34162
179: ok 34163
179: ok 34164
179: ok 34165
179: ok 34166
179: ok 34167
179: ok 34168
179: ok 34169
179: ok 34170
179: ok 34171
179: ok 34172
179: ok 34173
179: ok 34174
179: ok 34175
179: ok 34176
179: ok 34177
179: ok 34178
179: ok 34179
179: ok 34180
179: ok 34181
179: ok 34182
179: ok 34183
179: ok 34184
179: ok 34185
179: ok 34186
179: ok 34187
179: ok 34188
179: ok 34189
179: ok 34190
179: ok 34191
179: ok 34192
179: ok 34193
179: ok 34194
179: ok 34195
179: ok 34196
179: ok 34197
179: ok 34198
179: ok 34199
179: ok 34200
179: ok 34201
179: ok 34202
179: ok 34203
179: ok 34204
179: ok 34205
179: ok 34206
179: ok 34207
179: ok 34208
179: ok 34209
179: ok 34210
179: ok 34211
179: ok 34212
179: ok 34213
179: ok 34214
179: ok 34215
179: ok 34216
179: ok 34217
179: ok 34218
179: ok 34219
179: ok 34220
179: ok 34221
179: ok 34222
179: ok 34223
179: ok 34224
179: ok 34225
179: ok 34226
179: ok 34227
179: ok 34228
179: ok 34229
179: ok 34230
179: ok 34231
179: ok 34232
179: ok 34233
179: ok 34234
179: ok 34235
179: ok 34236
179: ok 34237
179: ok 34238
179: ok 34239
179: ok 34240
179: ok 34241
179: ok 34242
179: ok 34243
179: ok 34244
179: ok 34245
179: ok 34246
179: ok 34247
179: ok 34248
179: ok 34249
179: ok 34250
179: ok 34251
179: ok 34252
179: ok 34253
179: ok 34254
179: ok 34255
179: ok 34256
179: ok 34257
179: ok 34258
179: ok 34259
179: ok 34260
179: ok 34261
179: ok 34262
179: ok 34263
179: ok 34264
179: ok 34265
179: ok 34266
179: ok 34267
179: ok 34268
179: ok 34269
179: ok 34270
179: ok 34271
179: ok 34272
179: ok 34273
179: ok 34274
179: ok 34275
179: ok 34276
179: ok 34277
179: ok 34278
179: ok 34279
179: ok 34280
179: ok 34281
179: ok 34282
179: ok 34283
179: ok 34284
179: ok 34285
179: ok 34286
179: ok 34287
179: ok 34288
179: ok 34289
179: ok 34290
179: ok 34291
179: ok 34292
179: ok 34293
179: ok 34294
179: ok 34295
179: ok 34296
179: ok 34297
179: ok 34298
179: ok 34299
179: ok 34300
179: ok 34301
179: ok 34302
179: ok 34303
179: ok 34304
179: ok 34305
179: ok 34306
179: ok 34307
179: ok 34308
179: ok 34309
179: ok 34310
179: ok 34311
179: ok 34312
179: ok 34313
179: ok 34314
179: ok 34315
179: ok 34316
179: ok 34317
179: ok 34318
179: ok 34319
179: ok 34320
179: ok 34321
179: ok 34322
179: ok 34323
179: ok 34324
179: ok 34325
179: ok 34326
179: ok 34327
179: ok 34328
179: ok 34329
179: ok 34330
179: ok 34331
179: ok 34332
179: ok 34333
179: ok 34334
179: ok 34335
179: ok 34336
179: ok 34337
179: ok 34338
179: ok 34339
179: ok 34340
179: ok 34341
179: ok 34342
179: ok 34343
179: ok 34344
179: ok 34345
179: ok 34346
179: ok 34347
179: ok 34348
179: ok 34349
179: ok 34350
179: ok 34351
179: ok 34352
179: ok 34353
179: ok 34354
179: ok 34355
179: ok 34356
179: ok 34357
179: ok 34358
179: ok 34359
179: ok 34360
179: ok 34361
179: ok 34362
179: ok 34363
179: ok 34364
179: ok 34365
179: ok 34366
179: ok 34367
179: ok 34368
179: ok 34369
179: ok 34370
179: ok 34371
179: ok 34372
179: ok 34373
179: ok 34374
179: ok 34375
179: ok 34376
179: ok 34377
179: ok 34378
179: ok 34379
179: ok 34380
179: ok 34381
179: ok 34382
179: ok 34383
179: ok 34384
179: ok 34385
179: ok 34386
179: ok 34387
179: ok 34388
179: ok 34389
179: ok 34390
179: ok 34391
179: ok 34392
179: ok 34393
179: ok 34394
179: ok 34395
179: ok 34396
179: ok 34397
179: ok 34398
179: ok 34399
179: ok 34400
179: ok 34401
179: ok 34402
179: ok 34403
179: ok 34404
179: ok 34405
179: ok 34406
179: ok 34407
179: ok 34408
179: ok 34409
179: ok 34410
179: ok 34411
179: ok 34412
179: ok 34413
179: ok 34414
179: ok 34415
179: ok 34416
179: ok 34417
179: ok 34418
179: ok 34419
179: ok 34420
179: ok 34421
179: ok 34422
179: ok 34423
179: ok 34424
179: ok 34425
179: ok 34426
179: ok 34427
179: ok 34428
179: ok 34429
179: ok 34430
179: ok 34431
179: ok 34432
179: ok 34433
179: ok 34434
179: ok 34435
179: ok 34436
179: ok 34437
179: ok 34438
179: ok 34439
179: ok 34440
179: ok 34441
179: ok 34442
179: ok 34443
179: ok 34444
179: ok 34445
179: ok 34446
179: ok 34447
179: ok 34448
179: ok 34449
179: ok 34450
179: ok 34451
179: ok 34452
179: ok 34453
179: ok 34454
179: ok 34455
179: ok 34456
179: ok 34457
179: ok 34458
179: ok 34459
179: ok 34460
179: ok 34461
179: ok 34462
179: ok 34463
179: ok 34464
179: ok 34465
179: ok 34466
179: ok 34467
179: ok 34468
179: ok 34469
179: ok 34470
179: ok 34471
179: ok 34472
179: ok 34473
179: ok 34474
179: ok 34475
179: ok 34476
179: ok 34477
179: ok 34478
179: ok 34479
179: ok 34480
179: ok 34481
179: ok 34482
179: ok 34483
179: ok 34484
179: ok 34485
179: ok 34486
179: ok 34487
179: ok 34488
179: ok 34489
179: ok 34490
179: ok 34491
179: ok 34492
179: ok 34493
179: ok 34494
179: ok 34495
179: ok 34496
179: ok 34497
179: ok 34498
179: ok 34499
179: ok 34500
179: ok 34501
179: ok 34502
179: ok 34503
179: ok 34504
179: ok 34505
179: ok 34506
179: ok 34507
179: ok 34508
179: ok 34509
179: ok 34510
179: ok 34511
179: ok 34512
179: ok 34513
179: ok 34514
179: ok 34515
179: ok 34516
179: ok 34517
179: ok 34518
179: ok 34519
179: ok 34520
179: ok 34521
179: ok 34522
179: ok 34523
179: ok 34524
179: ok 34525
179: ok 34526
179: ok 34527
179: ok 34528
179: ok 34529
179: ok 34530
179: ok 34531
179: ok 34532
179: ok 34533
179: ok 34534
179: ok 34535
179: ok 34536
179: ok 34537
179: ok 34538
179: ok 34539
179: ok 34540
179: ok 34541
179: ok 34542
179: ok 34543
179: ok 34544
179: ok 34545
179: ok 34546
179: ok 34547
179: ok 34548
179: ok 34549
179: ok 34550
179: ok 34551
179: ok 34552
179: ok 34553
179: ok 34554
179: ok 34555
179: ok 34556
179: ok 34557
179: ok 34558
179: ok 34559
179: ok 34560
179: ok 34561
179: ok 34562
179: ok 34563
179: ok 34564
179: ok 34565
179: ok 34566
179: ok 34567
179: ok 34568
179: ok 34569
179: ok 34570
179: ok 34571
179: ok 34572
179: ok 34573
179: ok 34574
179: ok 34575
179: ok 34576
179: ok 34577
179: ok 34578
179: ok 34579
179: ok 34580
179: ok 34581
179: ok 34582
179: ok 34583
179: ok 34584
179: ok 34585
179: ok 34586
179: ok 34587
179: ok 34588
179: ok 34589
179: ok 34590
179: ok 34591
179: ok 34592
179: ok 34593
179: ok 34594
179: ok 34595
179: ok 34596
179: ok 34597
179: ok 34598
179: ok 34599
179: ok 34600
179: ok 34601
179: ok 34602
179: ok 34603
179: ok 34604
179: ok 34605
179: ok 34606
179: ok 34607
179: ok 34608
179: ok 34609
179: ok 34610
179: ok 34611
179: ok 34612
179: ok 34613
179: ok 34614
179: ok 34615
179: ok 34616
179: ok 34617
179: ok 34618
179: ok 34619
179: ok 34620
179: ok 34621
179: ok 34622
179: ok 34623
179: ok 34624
179: ok 34625
179: ok 34626
179: ok 34627
179: ok 34628
179: ok 34629
179: ok 34630
179: ok 34631
179: ok 34632
179: ok 34633
179: ok 34634
179: ok 34635
179: ok 34636
179: ok 34637
179: ok 34638
179: ok 34639
179: ok 34640
179: ok 34641
179: ok 34642
179: ok 34643
179: ok 34644
179: ok 34645
179: ok 34646
179: ok 34647
179: ok 34648
179: ok 34649
179: ok 34650
179: ok 34651
179: ok 34652
179: ok 34653
179: ok 34654
179: ok 34655
179: ok 34656
179: ok 34657
179: ok 34658
179: ok 34659
179: ok 34660
179: ok 34661
179: ok 34662
179: ok 34663
179: ok 34664
179: ok 34665
179: ok 34666
179: ok 34667
179: ok 34668
179: ok 34669
179: ok 34670
179: ok 34671
179: ok 34672
179: ok 34673
179: ok 34674
179: ok 34675
179: ok 34676
179: ok 34677
179: ok 34678
179: ok 34679
179: ok 34680
179: ok 34681
179: ok 34682
179: ok 34683
179: ok 34684
179: ok 34685
179: ok 34686
179: ok 34687
179: ok 34688
179: ok 34689
179: ok 34690
179: ok 34691
179: ok 34692
179: ok 34693
179: ok 34694
179: ok 34695
179: ok 34696
179: ok 34697
179: ok 34698
179: ok 34699
179: ok 34700
179: ok 34701
179: ok 34702
179: ok 34703
179: ok 34704
179: ok 34705
179: ok 34706
179: ok 34707
179: ok 34708
179: ok 34709
179: ok 34710
179: ok 34711
179: ok 34712
179: ok 34713
179: ok 34714
179: ok 34715
179: ok 34716
179: ok 34717
179: ok 34718
179: ok 34719
179: ok 34720
179: ok 34721
179: ok 34722
179: ok 34723
179: ok 34724
179: ok 34725
179: ok 34726
179: ok 34727
179: ok 34728
179: ok 34729
179: ok 34730
179: ok 34731
179: ok 34732
179: ok 34733
179: ok 34734
179: ok 34735
179: ok 34736
179: ok 34737
179: ok 34738
179: ok 34739
179: ok 34740
179: ok 34741
179: ok 34742
179: ok 34743
179: ok 34744
179: ok 34745
179: ok 34746
179: ok 34747
179: ok 34748
179: ok 34749
179: ok 34750
179: ok 34751
179: ok 34752
179: ok 34753
179: ok 34754
179: ok 34755
179: ok 34756
179: ok 34757
179: ok 34758
179: ok 34759
179: ok 34760
179: ok 34761
179: ok 34762
179: ok 34763
179: ok 34764
179: ok 34765
179: ok 34766
179: ok 34767
179: ok 34768
179: ok 34769
179: ok 34770
179: ok 34771
179: ok 34772
179: ok 34773
179: ok 34774
179: ok 34775
179: ok 34776
179: ok 34777
179: ok 34778
179: ok 34779
179: ok 34780
179: ok 34781
179: ok 34782
179: ok 34783
179: ok 34784
179: ok 34785
179: ok 34786
179: ok 34787
179: ok 34788
179: ok 34789
179: ok 34790
179: ok 34791
179: ok 34792
179: ok 34793
179: ok 34794
179: ok 34795
179: ok 34796
179: ok 34797
179: ok 34798
179: ok 34799
179: ok 34800
179: ok 34801
179: ok 34802
179: ok 34803
179: ok 34804
179: ok 34805
179: ok 34806
179: ok 34807
179: ok 34808
179: ok 34809
179: ok 34810
179: ok 34811
179: ok 34812
179: ok 34813
179: ok 34814
179: ok 34815
179: ok 34816
179: ok 34817
179: ok 34818
179: ok 34819
179: ok 34820
179: ok 34821
179: ok 34822
179: ok 34823
179: ok 34824
179: ok 34825
179: ok 34826
179: ok 34827
179: ok 34828
179: ok 34829
179: ok 34830
179: ok 34831
179: ok 34832
179: ok 34833
179: ok 34834
179: ok 34835
179: ok 34836
179: ok 34837
179: ok 34838
179: ok 34839
179: ok 34840
179: ok 34841
179: ok 34842
179: ok 34843
179: ok 34844
179: ok 34845
179: ok 34846
179: ok 34847
179: ok 34848
179: ok 34849
179: ok 34850
179: ok 34851
179: ok 34852
179: ok 34853
179: ok 34854
179: ok 34855
179: ok 34856
179: ok 34857
179: ok 34858
179: ok 34859
179: ok 34860
179: ok 34861
179: ok 34862
179: ok 34863
179: ok 34864
179: ok 34865
179: ok 34866
179: ok 34867
179: ok 34868
179: ok 34869
179: ok 34870
179: ok 34871
179: ok 34872
179: ok 34873
179: ok 34874
179: ok 34875
179: ok 34876
179: ok 34877
179: ok 34878
179: ok 34879
179: ok 34880
179: ok 34881
179: ok 34882
179: ok 34883
179: ok 34884
179: ok 34885
179: ok 34886
179: ok 34887
179: ok 34888
179: ok 34889
179: ok 34890
179: ok 34891
179: ok 34892
179: ok 34893
179: ok 34894
179: ok 34895
179: ok 34896
179: ok 34897
179: ok 34898
179: ok 34899
179: ok 34900
179: ok 34901
179: ok 34902
179: ok 34903
179: ok 34904
179: ok 34905
179: ok 34906
179: ok 34907
179: ok 34908
179: ok 34909
179: ok 34910
179: ok 34911
179: ok 34912
179: ok 34913
179: ok 34914
179: ok 34915
179: ok 34916
179: ok 34917
179: ok 34918
179: ok 34919
179: ok 34920
179: ok 34921
179: ok 34922
179: ok 34923
179: ok 34924
179: ok 34925
179: ok 34926
179: ok 34927
179: ok 34928
179: ok 34929
179: ok 34930
179: ok 34931
179: ok 34932
179: ok 34933
179: ok 34934
179: ok 34935
179: ok 34936
179: ok 34937
179: ok 34938
179: ok 34939
179: ok 34940
179: ok 34941
179: ok 34942
179: ok 34943
179: ok 34944
179: ok 34945
179: ok 34946
179: ok 34947
179: ok 34948
179: ok 34949
179: ok 34950
179: ok 34951
179: ok 34952
179: ok 34953
179: ok 34954
179: ok 34955
179: ok 34956
179: ok 34957
179: ok 34958
179: ok 34959
179: ok 34960
179: ok 34961
179: ok 34962
179: ok 34963
179: ok 34964
179: ok 34965
179: ok 34966
179: ok 34967
179: ok 34968
179: ok 34969
179: ok 34970
179: ok 34971
179: ok 34972
179: ok 34973
179: ok 34974
179: ok 34975
179: ok 34976
179: ok 34977
179: ok 34978
179: ok 34979
179: ok 34980
179: ok 34981
179: ok 34982
179: ok 34983
179: ok 34984
179: ok 34985
179: ok 34986
179: ok 34987
179: ok 34988
179: ok 34989
179: ok 34990
179: ok 34991
179: ok 34992
179: ok 34993
179: ok 34994
179: ok 34995
179: ok 34996
179: ok 34997
179: ok 34998
179: ok 34999
179: ok 35000
179: ok 35001
179: ok 35002
179: ok 35003
179: ok 35004
179: ok 35005
179: ok 35006
179: ok 35007
179: ok 35008
179: ok 35009
179: ok 35010
179: ok 35011
179: ok 35012
179: ok 35013
179: ok 35014
179: ok 35015
179: ok 35016
179: ok 35017
179: ok 35018
179: ok 35019
179: ok 35020
179: ok 35021
179: ok 35022
179: ok 35023
179: ok 35024
179: ok 35025
179: ok 35026
179: ok 35027
179: ok 35028
179: ok 35029
179: ok 35030
179: ok 35031
179: ok 35032
179: ok 35033
179: ok 35034
179: ok 35035
179: ok 35036
179: ok 35037
179: ok 35038
179: ok 35039
179: ok 35040
179: ok 35041
179: ok 35042
179: ok 35043
179: ok 35044
179: ok 35045
179: ok 35046
179: ok 35047
179: ok 35048
179: ok 35049
179: ok 35050
179: ok 35051
179: ok 35052
179: ok 35053
179: ok 35054
179: ok 35055
179: ok 35056
179: ok 35057
179: ok 35058
179: ok 35059
179: ok 35060
179: ok 35061
179: ok 35062
179: ok 35063
179: ok 35064
179: ok 35065
179: ok 35066
179: ok 35067
179: ok 35068
179: ok 35069
179: ok 35070
179: ok 35071
179: ok 35072
179: ok 35073
179: ok 35074
179: ok 35075
179: ok 35076
179: ok 35077
179: ok 35078
179: ok 35079
179: ok 35080
179: ok 35081
179: ok 35082
179: ok 35083
179: ok 35084
179: ok 35085
179: ok 35086
179: ok 35087
179: ok 35088
179: ok 35089
179: ok 35090
179: ok 35091
179: ok 35092
179: ok 35093
179: ok 35094
179: ok 35095
179: ok 35096
179: ok 35097
179: ok 35098
179: ok 35099
179: ok 35100
179: ok 35101
179: ok 35102
179: ok 35103
179: ok 35104
179: ok 35105
179: ok 35106
179: ok 35107
179: ok 35108
179: ok 35109
179: ok 35110
179: ok 35111
179: ok 35112
179: ok 35113
179: ok 35114
179: ok 35115
179: ok 35116
179: ok 35117
179: ok 35118
179: ok 35119
179: ok 35120
179: ok 35121
179: ok 35122
179: ok 35123
179: ok 35124
179: ok 35125
179: ok 35126
179: ok 35127
179: ok 35128
179: ok 35129
179: ok 35130
179: ok 35131
179: ok 35132
179: ok 35133
179: ok 35134
179: ok 35135
179: ok 35136
179: ok 35137
179: ok 35138
179: ok 35139
179: ok 35140
179: ok 35141
179: ok 35142
179: ok 35143
179: ok 35144
179: ok 35145
179: ok 35146
179: ok 35147
179: ok 35148
179: ok 35149
179: ok 35150
179: ok 35151
179: ok 35152
179: ok 35153
179: ok 35154
179: ok 35155
179: ok 35156
179: ok 35157
179: ok 35158
179: ok 35159
179: ok 35160
179: ok 35161
179: ok 35162
179: ok 35163
179: ok 35164
179: ok 35165
179: ok 35166
179: ok 35167
179: ok 35168
179: ok 35169
179: ok 35170
179: ok 35171
179: ok 35172
179: ok 35173
179: ok 35174
179: ok 35175
179: ok 35176
179: ok 35177
179: ok 35178
179: ok 35179
179: ok 35180
179: ok 35181
179: ok 35182
179: ok 35183
179: ok 35184
179: ok 35185
179: ok 35186
179: ok 35187
179: ok 35188
179: ok 35189
179: ok 35190
179: ok 35191
179: ok 35192
179: ok 35193
179: ok 35194
179: ok 35195
179: ok 35196
179: ok 35197
179: ok 35198
179: ok 35199
179: ok 35200
179: ok 35201
179: ok 35202
179: ok 35203
179: ok 35204
179: ok 35205
179: ok 35206
179: ok 35207
179: ok 35208
179: ok 35209
179: ok 35210
179: ok 35211
179: ok 35212
179: ok 35213
179: ok 35214
179: ok 35215
179: ok 35216
179: ok 35217
179: ok 35218
179: ok 35219
179: ok 35220
179: ok 35221
179: ok 35222
179: ok 35223
179: ok 35224
179: ok 35225
179: ok 35226
179: ok 35227
179: ok 35228
179: ok 35229
179: ok 35230
179: ok 35231
179: ok 35232
179: ok 35233
179: ok 35234
179: ok 35235
179: ok 35236
179: ok 35237
179: ok 35238
179: ok 35239
179: ok 35240
179: ok 35241
179: ok 35242
179: ok 35243
179: ok 35244
179: ok 35245
179: ok 35246
179: ok 35247
179: ok 35248
179: ok 35249
179: ok 35250
179: ok 35251
179: ok 35252
179: ok 35253
179: ok 35254
179: ok 35255
179: ok 35256
179: ok 35257
179: ok 35258
179: ok 35259
179: ok 35260
179: ok 35261
179: ok 35262
179: ok 35263
179: ok 35264
179: ok 35265
179: ok 35266
179: ok 35267
179: ok 35268
179: ok 35269
179: ok 35270
179: ok 35271
179: ok 35272
179: ok 35273
179: ok 35274
179: ok 35275
179: ok 35276
179: ok 35277
179: ok 35278
179: ok 35279
179: ok 35280
179: ok 35281
179: ok 35282
179: ok 35283
179: ok 35284
179: ok 35285
179: ok 35286
179: ok 35287
179: ok 35288
179: ok 35289
179: ok 35290
179: ok 35291
179: ok 35292
179: ok 35293
179: ok 35294
179: ok 35295
179: ok 35296
179: ok 35297
179: ok 35298
179: ok 35299
179: ok 35300
179: ok 35301
179: ok 35302
179: ok 35303
179: ok 35304
179: ok 35305
179: ok 35306
179: ok 35307
179: ok 35308
179: ok 35309
179: ok 35310
179: ok 35311
179: ok 35312
179: ok 35313
179: ok 35314
179: ok 35315
179: ok 35316
179: ok 35317
179: ok 35318
179: ok 35319
179: ok 35320
179: ok 35321
179: ok 35322
179: ok 35323
179: ok 35324
179: ok 35325
179: ok 35326
179: ok 35327
179: ok 35328
179: ok 35329
179: ok 35330
179: ok 35331
179: ok 35332
179: ok 35333
179: ok 35334
179: ok 35335
179: ok 35336
179: ok 35337
179: ok 35338
179: ok 35339
179: ok 35340
179: ok 35341
179: ok 35342
179: ok 35343
179: ok 35344
179: ok 35345
179: ok 35346
179: ok 35347
179: ok 35348
179: ok 35349
179: ok 35350
179: ok 35351
179: ok 35352
179: ok 35353
179: ok 35354
179: ok 35355
179: ok 35356
179: ok 35357
179: ok 35358
179: ok 35359
179: ok 35360
179: ok 35361
179: ok 35362
179: ok 35363
179: ok 35364
179: ok 35365
179: ok 35366
179: ok 35367
179: ok 35368
179: ok 35369
179: ok 35370
179: ok 35371
179: ok 35372
179: ok 35373
179: ok 35374
179: ok 35375
179: ok 35376
179: ok 35377
179: ok 35378
179: ok 35379
179: ok 35380
179: ok 35381
179: ok 35382
179: ok 35383
179: ok 35384
179: ok 35385
179: ok 35386
179: ok 35387
179: ok 35388
179: ok 35389
179: ok 35390
179: ok 35391
179: ok 35392
179: ok 35393
179: ok 35394
179: ok 35395
179: ok 35396
179: ok 35397
179: ok 35398
179: ok 35399
179: ok 35400
179: ok 35401
179: ok 35402
179: ok 35403
179: ok 35404
179: ok 35405
179: ok 35406
179: ok 35407
179: ok 35408
179: ok 35409
179: ok 35410
179: ok 35411
179: ok 35412
179: ok 35413
179: ok 35414
179: ok 35415
179: ok 35416
179: ok 35417
179: ok 35418
179: ok 35419
179: ok 35420
179: ok 35421
179: ok 35422
179: ok 35423
179: ok 35424
179: ok 35425
179: ok 35426
179: ok 35427
179: ok 35428
179: ok 35429
179: ok 35430
179: ok 35431
179: ok 35432
179: ok 35433
179: ok 35434
179: ok 35435
179: ok 35436
179: ok 35437
179: ok 35438
179: ok 35439
179: ok 35440
179: ok 35441
179: ok 35442
179: ok 35443
179: ok 35444
179: ok 35445
179: ok 35446
179: ok 35447
179: ok 35448
179: ok 35449
179: ok 35450
179: ok 35451
179: ok 35452
179: ok 35453
179: ok 35454
179: ok 35455
179: ok 35456
179: ok 35457
179: ok 35458
179: ok 35459
179: ok 35460
179: ok 35461
179: ok 35462
179: ok 35463
179: ok 35464
179: ok 35465
179: ok 35466
179: ok 35467
179: ok 35468
179: ok 35469
179: ok 35470
179: ok 35471
179: ok 35472
179: ok 35473
179: ok 35474
179: ok 35475
179: ok 35476
179: ok 35477
179: ok 35478
179: ok 35479
179: ok 35480
179: ok 35481
179: ok 35482
179: ok 35483
179: ok 35484
179: ok 35485
179: ok 35486
179: ok 35487
179: ok 35488
179: ok 35489
179: ok 35490
179: ok 35491
179: ok 35492
179: ok 35493
179: ok 35494
179: ok 35495
179: ok 35496
179: ok 35497
179: ok 35498
179: ok 35499
179: ok 35500
179: ok 35501
179: ok 35502
179: ok 35503
179: ok 35504
179: ok 35505
179: ok 35506
179: ok 35507
179: ok 35508
179: ok 35509
179: ok 35510
179: ok 35511
179: ok 35512
179: ok 35513
179: ok 35514
179: ok 35515
179: ok 35516
179: ok 35517
179: ok 35518
179: ok 35519
179: ok 35520
179: ok 35521
179: ok 35522
179: ok 35523
179: ok 35524
179: ok 35525
179: ok 35526
179: ok 35527
179: ok 35528
179: ok 35529
179: ok 35530
179: ok 35531
179: ok 35532
179: ok 35533
179: ok 35534
179: ok 35535
179: ok 35536
179: ok 35537
179: ok 35538
179: ok 35539
179: ok 35540
179: ok 35541
179: ok 35542
179: ok 35543
179: ok 35544
179: ok 35545
179: ok 35546
179: ok 35547
179: ok 35548
179: ok 35549
179: ok 35550
179: ok 35551
179: ok 35552
179: ok 35553
179: ok 35554
179: ok 35555
179: ok 35556
179: ok 35557
179: ok 35558
179: ok 35559
179: ok 35560
179: ok 35561
179: ok 35562
179: ok 35563
179: ok 35564
179: ok 35565
179: ok 35566
179: ok 35567
179: ok 35568
179: ok 35569
179: ok 35570
179: ok 35571
179: ok 35572
179: ok 35573
179: ok 35574
179: ok 35575
179: ok 35576
179: ok 35577
179: ok 35578
179: ok 35579
179: ok 35580
179: ok 35581
179: ok 35582
179: ok 35583
179: ok 35584
179: ok 35585
179: ok 35586
179: ok 35587
179: ok 35588
179: ok 35589
179: ok 35590
179: ok 35591
179: ok 35592
179: ok 35593
179: ok 35594
179: ok 35595
179: ok 35596
179: ok 35597
179: ok 35598
179: ok 35599
179: ok 35600
179: ok 35601
179: ok 35602
179: ok 35603
179: ok 35604
179: ok 35605
179: ok 35606
179: ok 35607
179: ok 35608
179: ok 35609
179: ok 35610
179: ok 35611
179: ok 35612
179: ok 35613
179: ok 35614
179: ok 35615
179: ok 35616
179: ok 35617
179: ok 35618
179: ok 35619
179: ok 35620
179: ok 35621
179: ok 35622
179: ok 35623
179: ok 35624
179: ok 35625
179: ok 35626
179: ok 35627
179: ok 35628
179: ok 35629
179: ok 35630
179: ok 35631
179: ok 35632
179: ok 35633
179: ok 35634
179: ok 35635
179: ok 35636
179: ok 35637
179: ok 35638
179: ok 35639
179: ok 35640
179: ok 35641
179: ok 35642
179: ok 35643
179: ok 35644
179: ok 35645
179: ok 35646
179: ok 35647
179: ok 35648
179: ok 35649
179: ok 35650
179: ok 35651
179: ok 35652
179: ok 35653
179: ok 35654
179: ok 35655
179: ok 35656
179: ok 35657
179: ok 35658
179: ok 35659
179: ok 35660
179: ok 35661
179: ok 35662
179: ok 35663
179: ok 35664
179: ok 35665
179: ok 35666
179: ok 35667
179: ok 35668
179: ok 35669
179: ok 35670
179: ok 35671
179: ok 35672
179: ok 35673
179: ok 35674
179: ok 35675
179: ok 35676
179: ok 35677
179: ok 35678
179: ok 35679
179: ok 35680
179: ok 35681
179: ok 35682
179: ok 35683
179: ok 35684
179: ok 35685
179: ok 35686
179: ok 35687
179: ok 35688
179: ok 35689
179: ok 35690
179: ok 35691
179: ok 35692
179: ok 35693
179: ok 35694
179: ok 35695
179: ok 35696
179: ok 35697
179: ok 35698
179: ok 35699
179: ok 35700
179: ok 35701
179: ok 35702
179: ok 35703
179: ok 35704
179: ok 35705
179: ok 35706
179: ok 35707
179: ok 35708
179: ok 35709
179: ok 35710
179: ok 35711
179: ok 35712
179: ok 35713
179: ok 35714
179: ok 35715
179: ok 35716
179: ok 35717
179: ok 35718
179: ok 35719
179: ok 35720
179: ok 35721
179: ok 35722
179: ok 35723
179: ok 35724
179: ok 35725
179: ok 35726
179: ok 35727
179: ok 35728
179: ok 35729
179: ok 35730
179: ok 35731
179: ok 35732
179: ok 35733
179: ok 35734
179: ok 35735
179: ok 35736
179: ok 35737
179: ok 35738
179: ok 35739
179: ok 35740
179: ok 35741
179: ok 35742
179: ok 35743
179: ok 35744
179: ok 35745
179: ok 35746
179: ok 35747
179: ok 35748
179: ok 35749
179: ok 35750
179: ok 35751
179: ok 35752
179: ok 35753
179: ok 35754
179: ok 35755
179: ok 35756
179: ok 35757
179: ok 35758
179: ok 35759
179: ok 35760
179: ok 35761
179: ok 35762
179: ok 35763
179: ok 35764
179: ok 35765
179: ok 35766
179: ok 35767
179: ok 35768
179: ok 35769
179: ok 35770
179: ok 35771
179: ok 35772
179: ok 35773
179: ok 35774
179: ok 35775
179: ok 35776
179: ok 35777
179: ok 35778
179: ok 35779
179: ok 35780
179: ok 35781
179: ok 35782
179: ok 35783
179: ok 35784
179: ok 35785
179: ok 35786
179: ok 35787
179: ok 35788
179: ok 35789
179: ok 35790
179: ok 35791
179: ok 35792
179: ok 35793
179: ok 35794
179: ok 35795
179: ok 35796
179: ok 35797
179: ok 35798
179: ok 35799
179: ok 35800
179: ok 35801
179: ok 35802
179: ok 35803
179: ok 35804
179: ok 35805
179: ok 35806
179: ok 35807
179: ok 35808
179: ok 35809
179: ok 35810
179: ok 35811
179: ok 35812
179: ok 35813
179: ok 35814
179: ok 35815
179: ok 35816
179: ok 35817
179: ok 35818
179: ok 35819
179: ok 35820
179: ok 35821
179: ok 35822
179: ok 35823
179: ok 35824
179: ok 35825
179: ok 35826
179: ok 35827
179: ok 35828
179: ok 35829
179: ok 35830
179: ok 35831
179: ok 35832
179: ok 35833
179: ok 35834
179: ok 35835
179: ok 35836
179: ok 35837
179: ok 35838
179: ok 35839
179: ok 35840
179: ok 35841
179: ok 35842
179: ok 35843
179: ok 35844
179: ok 35845
179: ok 35846
179: ok 35847
179: ok 35848
179: ok 35849
179: ok 35850
179: ok 35851
179: ok 35852
179: ok 35853
179: ok 35854
179: ok 35855
179: ok 35856
179: ok 35857
179: ok 35858
179: ok 35859
179: ok 35860
179: ok 35861
179: ok 35862
179: ok 35863
179: ok 35864
179: ok 35865
179: ok 35866
179: ok 35867
179: ok 35868
179: ok 35869
179: ok 35870
179: ok 35871
179: ok 35872
179: ok 35873
179: ok 35874
179: ok 35875
179: ok 35876
179: ok 35877
179: ok 35878
179: ok 35879
179: ok 35880
179: ok 35881
179: ok 35882
179: ok 35883
179: ok 35884
179: ok 35885
179: ok 35886
179: ok 35887
179: ok 35888
179: ok 35889
179: ok 35890
179: ok 35891
179: ok 35892
179: ok 35893
179: ok 35894
179: ok 35895
179: ok 35896
179: ok 35897
179: ok 35898
179: ok 35899
179: ok 35900
179: ok 35901
179: ok 35902
179: ok 35903
179: ok 35904
179: ok 35905
179: ok 35906
179: ok 35907
179: ok 35908
179: ok 35909
179: ok 35910
179: ok 35911
179: ok 35912
179: ok 35913
179: ok 35914
179: ok 35915
179: ok 35916
179: ok 35917
179: ok 35918
179: ok 35919
179: ok 35920
179: ok 35921
179: ok 35922
179: ok 35923
179: ok 35924
179: ok 35925
179: ok 35926
179: ok 35927
179: ok 35928
179: ok 35929
179: ok 35930
179: ok 35931
179: ok 35932
179: ok 35933
179: ok 35934
179: ok 35935
179: ok 35936
179: ok 35937
179: ok 35938
179: ok 35939
179: ok 35940
179: ok 35941
179: ok 35942
179: ok 35943
179: ok 35944
179: ok 35945
179: ok 35946
179: ok 35947
179: ok 35948
179: ok 35949
179: ok 35950
179: ok 35951
179: ok 35952
179: ok 35953
179: ok 35954
179: ok 35955
179: ok 35956
179: ok 35957
179: ok 35958
179: ok 35959
179: ok 35960
179: ok 35961
179: ok 35962
179: ok 35963
179: ok 35964
179: ok 35965
179: ok 35966
179: ok 35967
179: ok 35968
179: ok 35969
179: ok 35970
179: ok 35971
179: ok 35972
179: ok 35973
179: ok 35974
179: ok 35975
179: ok 35976
179: ok 35977
179: ok 35978
179: ok 35979
179: ok 35980
179: ok 35981
179: ok 35982
179: ok 35983
179: ok 35984
179: ok 35985
179: ok 35986
179: ok 35987
179: ok 35988
179: ok 35989
179: ok 35990
179: ok 35991
179: ok 35992
179: ok 35993
179: ok 35994
179: ok 35995
179: ok 35996
179: ok 35997
179: ok 35998
179: ok 35999
179: ok 36000
179: ok 36001
179: ok 36002
179: ok 36003
179: ok 36004
179: ok 36005
179: ok 36006
179: ok 36007
179: ok 36008
179: ok 36009
179: ok 36010
179: ok 36011
179: ok 36012
179: ok 36013
179: ok 36014
179: ok 36015
179: ok 36016
179: ok 36017
179: ok 36018
179: ok 36019
179: ok 36020
179: ok 36021
179: ok 36022
179: ok 36023
179: ok 36024
179: ok 36025
179: ok 36026
179: ok 36027
179: ok 36028
179: ok 36029
179: ok 36030
179: ok 36031
179: ok 36032
179: ok 36033
179: ok 36034
179: ok 36035
179: ok 36036
179: ok 36037
179: ok 36038
179: ok 36039
179: ok 36040
179: ok 36041
179: ok 36042
179: ok 36043
179: ok 36044
179: ok 36045
179: ok 36046
179: ok 36047
179: ok 36048
179: ok 36049
179: ok 36050
179: ok 36051
179: ok 36052
179: ok 36053
179: ok 36054
179: ok 36055
179: ok 36056
179: ok 36057
179: ok 36058
179: ok 36059
179: ok 36060
179: ok 36061
179: ok 36062
179: ok 36063
179: ok 36064
179: ok 36065
179: ok 36066
179: ok 36067
179: ok 36068
179: ok 36069
179: ok 36070
179: ok 36071
179: ok 36072
179: ok 36073
179: ok 36074
179: ok 36075
179: ok 36076
179: ok 36077
179: ok 36078
179: ok 36079
179: ok 36080
179: ok 36081
179: ok 36082
179: ok 36083
179: ok 36084
179: ok 36085
179: ok 36086
179: ok 36087
179: ok 36088
179: ok 36089
179: ok 36090
179: ok 36091
179: ok 36092
179: ok 36093
179: ok 36094
179: ok 36095
179: ok 36096
179: ok 36097
179: ok 36098
179: ok 36099
179: ok 36100
179: ok 36101
179: ok 36102
179: ok 36103
179: ok 36104
179: ok 36105
179: ok 36106
179: ok 36107
179: ok 36108
179: ok 36109
179: ok 36110
179: ok 36111
179: ok 36112
179: ok 36113
179: ok 36114
179: ok 36115
179: ok 36116
179: ok 36117
179: ok 36118
179: ok 36119
179: ok 36120
179: ok 36121
179: ok 36122
179: ok 36123
179: ok 36124
179: ok 36125
179: ok 36126
179: ok 36127
179: ok 36128
179: ok 36129
179: ok 36130
179: ok 36131
179: ok 36132
179: ok 36133
179: ok 36134
179: ok 36135
179: ok 36136
179: ok 36137
179: ok 36138
179: ok 36139
179: ok 36140
179: ok 36141
179: ok 36142
179: ok 36143
179: ok 36144
179: ok 36145
179: ok 36146
179: ok 36147
179: ok 36148
179: ok 36149
179: ok 36150
179: ok 36151
179: ok 36152
179: ok 36153
179: ok 36154
179: ok 36155
179: ok 36156
179: ok 36157
179: ok 36158
179: ok 36159
179: ok 36160
179: ok 36161
179: ok 36162
179: ok 36163
179: ok 36164
179: ok 36165
179: ok 36166
179: ok 36167
179: ok 36168
179: ok 36169
179: ok 36170
179: ok 36171
179: ok 36172
179: ok 36173
179: ok 36174
179: ok 36175
179: ok 36176
179: ok 36177
179: ok 36178
179: ok 36179
179: ok 36180
179: ok 36181
179: ok 36182
179: ok 36183
179: ok 36184
179: ok 36185
179: ok 36186
179: ok 36187
179: ok 36188
179: ok 36189
179: ok 36190
179: ok 36191
179: ok 36192
179: ok 36193
179: ok 36194
179: ok 36195
179: ok 36196
179: ok 36197
179: ok 36198
179: ok 36199
179: ok 36200
179: ok 36201
179: ok 36202
179: ok 36203
179: ok 36204
179: ok 36205
179: ok 36206
179: ok 36207
179: ok 36208
179: ok 36209
179: ok 36210
179: ok 36211
179: ok 36212
179: ok 36213
179: ok 36214
179: ok 36215
179: ok 36216
179: ok 36217
179: ok 36218
179: ok 36219
179: ok 36220
179: ok 36221
179: ok 36222
179: ok 36223
179: ok 36224
179: ok 36225
179: ok 36226
179: ok 36227
179: ok 36228
179: ok 36229
179: ok 36230
179: ok 36231
179: ok 36232
179: ok 36233
179: ok 36234
179: ok 36235
179: ok 36236
179: ok 36237
179: ok 36238
179: ok 36239
179: ok 36240
179: ok 36241
179: ok 36242
179: ok 36243
179: ok 36244
179: ok 36245
179: ok 36246
179: ok 36247
179: ok 36248
179: ok 36249
179: ok 36250
179: ok 36251
179: ok 36252
179: ok 36253
179: ok 36254
179: ok 36255
179: ok 36256
179: ok 36257
179: ok 36258
179: ok 36259
179: ok 36260
179: ok 36261
179: ok 36262
179: ok 36263
179: ok 36264
179: ok 36265
179: ok 36266
179: ok 36267
179: ok 36268
179: ok 36269
179: ok 36270
179: ok 36271
179: ok 36272
179: ok 36273
179: ok 36274
179: ok 36275
179: ok 36276
179: ok 36277
179: ok 36278
179: ok 36279
179: ok 36280
179: ok 36281
179: ok 36282
179: ok 36283
179: ok 36284
179: ok 36285
179: ok 36286
179: ok 36287
179: ok 36288
179: ok 36289
179: ok 36290
179: ok 36291
179: ok 36292
179: ok 36293
179: ok 36294
179: ok 36295
179: ok 36296
179: ok 36297
179: ok 36298
179: ok 36299
179: ok 36300
179: ok 36301
179: ok 36302
179: ok 36303
179: ok 36304
179: ok 36305
179: ok 36306
179: ok 36307
179: ok 36308
179: ok 36309
179: ok 36310
179: ok 36311
179: ok 36312
179: ok 36313
179: ok 36314
179: ok 36315
179: ok 36316
179: ok 36317
179: ok 36318
179: ok 36319
179: ok 36320
179: ok 36321
179: ok 36322
179: ok 36323
179: ok 36324
179: ok 36325
179: ok 36326
179: ok 36327
179: ok 36328
179: ok 36329
179: ok 36330
179: ok 36331
179: ok 36332
179: ok 36333
179: ok 36334
179: ok 36335
179: ok 36336
179: ok 36337
179: ok 36338
179: ok 36339
179: ok 36340
179: ok 36341
179: ok 36342
179: ok 36343
179: ok 36344
179: ok 36345
179: ok 36346
179: ok 36347
179: ok 36348
179: ok 36349
179: ok 36350
179: ok 36351
179: ok 36352
179: ok 36353
179: ok 36354
179: ok 36355
179: ok 36356
179: ok 36357
179: ok 36358
179: ok 36359
179: ok 36360
179: ok 36361
179: ok 36362
179: ok 36363
179: ok 36364
179: ok 36365
179: ok 36366
179: ok 36367
179: ok 36368
179: ok 36369
179: ok 36370
179: ok 36371
179: ok 36372
179: ok 36373
179: ok 36374
179: ok 36375
179: ok 36376
179: ok 36377
179: ok 36378
179: ok 36379
179: ok 36380
179: ok 36381
179: ok 36382
179: ok 36383
179: ok 36384
179: ok 36385
179: ok 36386
179: ok 36387
179: ok 36388
179: ok 36389
179: ok 36390
179: ok 36391
179: ok 36392
179: ok 36393
179: ok 36394
179: ok 36395
179: ok 36396
179: ok 36397
179: ok 36398
179: ok 36399
179: ok 36400
179: ok 36401
179: ok 36402
179: ok 36403
179: ok 36404
179: ok 36405
179: ok 36406
179: ok 36407
179: ok 36408
179: ok 36409
179: ok 36410
179: ok 36411
179: ok 36412
179: ok 36413
179: ok 36414
179: ok 36415
179: ok 36416
179: ok 36417
179: ok 36418
179: ok 36419
179: ok 36420
179: ok 36421
179: ok 36422
179: ok 36423
179: ok 36424
179: ok 36425
179: ok 36426
179: ok 36427
179: ok 36428
179: ok 36429
179: ok 36430
179: ok 36431
179: ok 36432
179: ok 36433
179: ok 36434
179: ok 36435
179: ok 36436
179: ok 36437
179: ok 36438
179: ok 36439
179: ok 36440
179: ok 36441
179: ok 36442
179: ok 36443
179: ok 36444
179: ok 36445
179: ok 36446
179: ok 36447
179: ok 36448
179: ok 36449
179: ok 36450
179: ok 36451
179: ok 36452
179: ok 36453
179: ok 36454
179: ok 36455
179: ok 36456
179: ok 36457
179: ok 36458
179: ok 36459
179: ok 36460
179: ok 36461
179: ok 36462
179: ok 36463
179: ok 36464
179: ok 36465
179: ok 36466
179: ok 36467
179: ok 36468
179: ok 36469
179: ok 36470
179: ok 36471
179: ok 36472
179: ok 36473
179: ok 36474
179: ok 36475
179: ok 36476
179: ok 36477
179: ok 36478
179: ok 36479
179: ok 36480
179: ok 36481
179: ok 36482
179: ok 36483
179: ok 36484
179: ok 36485
179: ok 36486
179: ok 36487
179: ok 36488
179: ok 36489
179: ok 36490
179: ok 36491
179: ok 36492
179: ok 36493
179: ok 36494
179: ok 36495
179: ok 36496
179: ok 36497
179: ok 36498
179: ok 36499
179: ok 36500
179: ok 36501
179: ok 36502
179: ok 36503
179: ok 36504
179: ok 36505
179: ok 36506
179: ok 36507
179: ok 36508
179: ok 36509
179: ok 36510
179: ok 36511
179: ok 36512
179: ok 36513
179: ok 36514
179: ok 36515
179: ok 36516
179: ok 36517
179: ok 36518
179: ok 36519
179: ok 36520
179: ok 36521
179: ok 36522
179: ok 36523
179: ok 36524
179: ok 36525
179: ok 36526
179: ok 36527
179: ok 36528
179: ok 36529
179: ok 36530
179: ok 36531
179: ok 36532
179: ok 36533
179: ok 36534
179: ok 36535
179: ok 36536
179: ok 36537
179: ok 36538
179: ok 36539
179: ok 36540
179: ok 36541
179: ok 36542
179: ok 36543
179: ok 36544
179: ok 36545
179: ok 36546
179: ok 36547
179: ok 36548
179: ok 36549
179: ok 36550
179: ok 36551
179: ok 36552
179: ok 36553
179: ok 36554
179: ok 36555
179: ok 36556
179: ok 36557
179: ok 36558
179: ok 36559
179: ok 36560
179: ok 36561
179: ok 36562
179: ok 36563
179: ok 36564
179: ok 36565
179: ok 36566
179: ok 36567
179: ok 36568
179: ok 36569
179: ok 36570
179: ok 36571
179: ok 36572
179: ok 36573
179: ok 36574
179: ok 36575
179: ok 36576
179: ok 36577
179: ok 36578
179: ok 36579
179: ok 36580
179: ok 36581
179: ok 36582
179: ok 36583
179: ok 36584
179: ok 36585
179: ok 36586
179: ok 36587
179: ok 36588
179: ok 36589
179: ok 36590
179: ok 36591
179: ok 36592
179: ok 36593
179: ok 36594
179: ok 36595
179: ok 36596
179: ok 36597
179: ok 36598
179: ok 36599
179: ok 36600
179: ok 36601
179: ok 36602
179: ok 36603
179: ok 36604
179: ok 36605
179: ok 36606
179: ok 36607
179: ok 36608
179: ok 36609
179: ok 36610
179: ok 36611
179: ok 36612
179: ok 36613
179: ok 36614
179: ok 36615
179: ok 36616
179: ok 36617
179: ok 36618
179: ok 36619
179: ok 36620
179: ok 36621
179: ok 36622
179: ok 36623
179: ok 36624
179: ok 36625
179: ok 36626
179: ok 36627
179: ok 36628
179: ok 36629
179: ok 36630
179: ok 36631
179: ok 36632
179: ok 36633
179: ok 36634
179: ok 36635
179: ok 36636
179: ok 36637
179: ok 36638
179: ok 36639
179: ok 36640
179: ok 36641
179: ok 36642
179: ok 36643
179: ok 36644
179: ok 36645
179: ok 36646
179: ok 36647
179: ok 36648
179: ok 36649
179: ok 36650
179: ok 36651
179: ok 36652
179: ok 36653
179: ok 36654
179: ok 36655
179: ok 36656
179: ok 36657
179: ok 36658
179: ok 36659
179: ok 36660
179: ok 36661
179: ok 36662
179: ok 36663
179: ok 36664
179: ok 36665
179: ok 36666
179: ok 36667
179: ok 36668
179: ok 36669
179: ok 36670
179: ok 36671
179: ok 36672
179: ok 36673
179: ok 36674
179: ok 36675
179: ok 36676
179: ok 36677
179: ok 36678
179: ok 36679
179: ok 36680
179: ok 36681
179: ok 36682
179: ok 36683
179: ok 36684
179: ok 36685
179: ok 36686
179: ok 36687
179: ok 36688
179: ok 36689
179: ok 36690
179: ok 36691
179: ok 36692
179: ok 36693
179: ok 36694
179: ok 36695
179: ok 36696
179: ok 36697
179: ok 36698
179: ok 36699
179: ok 36700
179: ok 36701
179: ok 36702
179: ok 36703
179: ok 36704
179: ok 36705
179: ok 36706
179: ok 36707
179: ok 36708
179: ok 36709
179: ok 36710
179: ok 36711
179: ok 36712
179: ok 36713
179: ok 36714
179: ok 36715
179: ok 36716
179: ok 36717
179: ok 36718
179: ok 36719
179: ok 36720
179: ok 36721
179: ok 36722
179: ok 36723
179: ok 36724
179: ok 36725
179: ok 36726
179: ok 36727
179: ok 36728
179: ok 36729
179: ok 36730
179: ok 36731
179: ok 36732
179: ok 36733
179: ok 36734
179: ok 36735
179: ok 36736
179: ok 36737
179: ok 36738
179: ok 36739
179: ok 36740
179: ok 36741
179: ok 36742
179: ok 36743
179: ok 36744
179: ok 36745
179: ok 36746
179: ok 36747
179: ok 36748
179: ok 36749
179: ok 36750
179: ok 36751
179: ok 36752
179: ok 36753
179: ok 36754
179: ok 36755
179: ok 36756
179: ok 36757
179: ok 36758
179: ok 36759
179: ok 36760
179: ok 36761
179: ok 36762
179: ok 36763
179: ok 36764
179: ok 36765
179: ok 36766
179: ok 36767
179: ok 36768
179: ok 36769
179: ok 36770
179: ok 36771
179: ok 36772
179: ok 36773
179: ok 36774
179: ok 36775
179: ok 36776
179: ok 36777
179: ok 36778
179: ok 36779
179: ok 36780
179: ok 36781
179: ok 36782
179: ok 36783
179: ok 36784
179: ok 36785
179: ok 36786
179: ok 36787
179: ok 36788
179: ok 36789
179: ok 36790
179: ok 36791
179: ok 36792
179: ok 36793
179: ok 36794
179: ok 36795
179: ok 36796
179: ok 36797
179: ok 36798
179: ok 36799
179: ok 36800
179: ok 36801
179: ok 36802
179: ok 36803
179: ok 36804
179: ok 36805
179: ok 36806
179: ok 36807
179: ok 36808
179: ok 36809
179: ok 36810
179: ok 36811
179: ok 36812
179: ok 36813
179: ok 36814
179: ok 36815
179: ok 36816
179: ok 36817
179: ok 36818
179: ok 36819
179: ok 36820
179: ok 36821
179: ok 36822
179: ok 36823
179: ok 36824
179: ok 36825
179: ok 36826
179: ok 36827
179: ok 36828
179: ok 36829
179: ok 36830
179: ok 36831
179: ok 36832
179: ok 36833
179: ok 36834
179: ok 36835
179: ok 36836
179: ok 36837
179: ok 36838
179: ok 36839
179: ok 36840
179: ok 36841
179: ok 36842
179: ok 36843
179: ok 36844
179: ok 36845
179: ok 36846
179: ok 36847
179: ok 36848
179: ok 36849
179: ok 36850
179: ok 36851
179: ok 36852
179: ok 36853
179: ok 36854
179: ok 36855
179: ok 36856
179: ok 36857
179: ok 36858
179: ok 36859
179: ok 36860
179: ok 36861
179: ok 36862
179: ok 36863
179: ok 36864
179: ok 36865
179: ok 36866
179: ok 36867
179: ok 36868
179: ok 36869
179: ok 36870
179: ok 36871
179: ok 36872
179: ok 36873
179: ok 36874
179: ok 36875
179: ok 36876
179: ok 36877
179: ok 36878
179: ok 36879
179: ok 36880
179: ok 36881
179: ok 36882
179: ok 36883
179: ok 36884
179: ok 36885
179: ok 36886
179: ok 36887
179: ok 36888
179: ok 36889
179: ok 36890
179: ok 36891
179: ok 36892
179: ok 36893
179: ok 36894
179: ok 36895
179: ok 36896
179: ok 36897
179: ok 36898
179: ok 36899
179: ok 36900
179: ok 36901
179: ok 36902
179: ok 36903
179: ok 36904
179: ok 36905
179: ok 36906
179: ok 36907
179: ok 36908
179: ok 36909
179: ok 36910
179: ok 36911
179: ok 36912
179: ok 36913
179: ok 36914
179: ok 36915
179: ok 36916
179: ok 36917
179: ok 36918
179: ok 36919
179: ok 36920
179: ok 36921
179: ok 36922
179: ok 36923
179: ok 36924
179: ok 36925
179: ok 36926
179: ok 36927
179: ok 36928
179: ok 36929
179: ok 36930
179: ok 36931
179: ok 36932
179: ok 36933
179: ok 36934
179: ok 36935
179: ok 36936
179: ok 36937
179: ok 36938
179: ok 36939
179: ok 36940
179: ok 36941
179: ok 36942
179: ok 36943
179: ok 36944
179: ok 36945
179: ok 36946
179: ok 36947
179: ok 36948
179: ok 36949
179: ok 36950
179: ok 36951
179: ok 36952
179: ok 36953
179: ok 36954
179: ok 36955
179: ok 36956
179: ok 36957
179: ok 36958
179: ok 36959
179: ok 36960
179: ok 36961
179: ok 36962
179: ok 36963
179: ok 36964
179: ok 36965
179: ok 36966
179: ok 36967
179: ok 36968
179: ok 36969
179: ok 36970
179: ok 36971
179: ok 36972
179: ok 36973
179: ok 36974
179: ok 36975
179: ok 36976
179: ok 36977
179: ok 36978
179: ok 36979
179: ok 36980
179: ok 36981
179: ok 36982
179: ok 36983
179: ok 36984
179: ok 36985
179: ok 36986
179: ok 36987
179: ok 36988
179: ok 36989
179: ok 36990
179: ok 36991
179: ok 36992
179: ok 36993
179: ok 36994
179: ok 36995
179: ok 36996
179: ok 36997
179: ok 36998
179: ok 36999
179: ok 37000
179: ok 37001
179: ok 37002
179: ok 37003
179: ok 37004
179: ok 37005
179: ok 37006
179: ok 37007
179: ok 37008
179: ok 37009
179: ok 37010
179: ok 37011
179: ok 37012
179: ok 37013
179: ok 37014
179: ok 37015
179: ok 37016
179: ok 37017
179: ok 37018
179: ok 37019
179: ok 37020
179: ok 37021
179: ok 37022
179: ok 37023
179: ok 37024
179: ok 37025
179: ok 37026
179: ok 37027
179: ok 37028
179: ok 37029
179: ok 37030
179: ok 37031
179: ok 37032
179: ok 37033
179: ok 37034
179: ok 37035
179: ok 37036
179: ok 37037
179: ok 37038
179: ok 37039
179: ok 37040
179: ok 37041
179: ok 37042
179: ok 37043
179: ok 37044
179: ok 37045
179: ok 37046
179: ok 37047
179: ok 37048
179: ok 37049
179: ok 37050
179: ok 37051
179: ok 37052
179: ok 37053
179: ok 37054
179: ok 37055
179: ok 37056
179: ok 37057
179: ok 37058
179: ok 37059
179: ok 37060
179: ok 37061
179: ok 37062
179: ok 37063
179: ok 37064
179: ok 37065
179: ok 37066
179: ok 37067
179: ok 37068
179: ok 37069
179: ok 37070
179: ok 37071
179: ok 37072
179: ok 37073
179: ok 37074
179: ok 37075
179: ok 37076
179: ok 37077
179: ok 37078
179: ok 37079
179: ok 37080
179: ok 37081
179: ok 37082
179: ok 37083
179: ok 37084
179: ok 37085
179: ok 37086
179: ok 37087
179: ok 37088
179: ok 37089
179: ok 37090
179: ok 37091
179: ok 37092
179: ok 37093
179: ok 37094
179: ok 37095
179: ok 37096
179: ok 37097
179: ok 37098
179: ok 37099
179: ok 37100
179: ok 37101
179: ok 37102
179: ok 37103
179: ok 37104
179: ok 37105
179: ok 37106
179: ok 37107
179: ok 37108
179: ok 37109
179: ok 37110
179: ok 37111
179: ok 37112
179: ok 37113
179: ok 37114
179: ok 37115
179: ok 37116
179: ok 37117
179: ok 37118
179: ok 37119
179: ok 37120
179: ok 37121
179: ok 37122
179: ok 37123
179: ok 37124
179: ok 37125
179: ok 37126
179: ok 37127
179: ok 37128
179: ok 37129
179: ok 37130
179: ok 37131
179: ok 37132
179: ok 37133
179: ok 37134
179: ok 37135
179: ok 37136
179: ok 37137
179: ok 37138
179: ok 37139
179: ok 37140
179: ok 37141
179: ok 37142
179: ok 37143
179: ok 37144
179: ok 37145
179: ok 37146
179: ok 37147
179: ok 37148
179: ok 37149
179: ok 37150
179: ok 37151
179: ok 37152
179: ok 37153
179: ok 37154
179: ok 37155
179: ok 37156
179: ok 37157
179: ok 37158
179: ok 37159
179: ok 37160
179: ok 37161
179: ok 37162
179: ok 37163
179: ok 37164
179: ok 37165
179: ok 37166
179: ok 37167
179: ok 37168
179: ok 37169
179: ok 37170
179: ok 37171
179: ok 37172
179: ok 37173
179: ok 37174
179: ok 37175
179: ok 37176
179: ok 37177
179: ok 37178
179: ok 37179
179: ok 37180
179: ok 37181
179: ok 37182
179: ok 37183
179: ok 37184
179: ok 37185
179: ok 37186
179: ok 37187
179: ok 37188
179: ok 37189
179: ok 37190
179: ok 37191
179: ok 37192
179: ok 37193
179: ok 37194
179: ok 37195
179: ok 37196
179: ok 37197
179: ok 37198
179: ok 37199
179: ok 37200
179: ok 37201
179: ok 37202
179: ok 37203
179: ok 37204
179: ok 37205
179: ok 37206
179: ok 37207
179: ok 37208
179: ok 37209
179: ok 37210
179: ok 37211
179: ok 37212
179: ok 37213
179: ok 37214
179: ok 37215
179: ok 37216
179: ok 37217
179: ok 37218
179: ok 37219
179: ok 37220
179: ok 37221
179: ok 37222
179: ok 37223
179: ok 37224
179: ok 37225
179: ok 37226
179: ok 37227
179: ok 37228
179: ok 37229
179: ok 37230
179: ok 37231
179: ok 37232
179: ok 37233
179: ok 37234
179: ok 37235
179: ok 37236
179: ok 37237
179: ok 37238
179: ok 37239
179: ok 37240
179: ok 37241
179: ok 37242
179: ok 37243
179: ok 37244
179: ok 37245
179: ok 37246
179: ok 37247
179: ok 37248
179: ok 37249
179: ok 37250
179: ok 37251
179: ok 37252
179: ok 37253
179: ok 37254
179: ok 37255
179: ok 37256
179: ok 37257
179: ok 37258
179: ok 37259
179: ok 37260
179: ok 37261
179: ok 37262
179: ok 37263
179: ok 37264
179: ok 37265
179: ok 37266
179: ok 37267
179: ok 37268
179: ok 37269
179: ok 37270
179: ok 37271
179: ok 37272
179: ok 37273
179: ok 37274
179: ok 37275
179: ok 37276
179: ok 37277
179: ok 37278
179: ok 37279
179: ok 37280
179: ok 37281
179: ok 37282
179: ok 37283
179: ok 37284
179: ok 37285
179: ok 37286
179: ok 37287
179: ok 37288
179: ok 37289
179: ok 37290
179: ok 37291
179: ok 37292
179: ok 37293
179: ok 37294
179: ok 37295
179: ok 37296
179: ok 37297
179: ok 37298
179: ok 37299
179: ok 37300
179: ok 37301
179: ok 37302
179: ok 37303
179: ok 37304
179: ok 37305
179: ok 37306
179: ok 37307
179: ok 37308
179: ok 37309
179: ok 37310
179: ok 37311
179: ok 37312
179: ok 37313
179: ok 37314
179: ok 37315
179: ok 37316
179: ok 37317
179: ok 37318
179: ok 37319
179: ok 37320
179: ok 37321
179: ok 37322
179: ok 37323
179: ok 37324
179: ok 37325
179: ok 37326
179: ok 37327
179: ok 37328
179: ok 37329
179: ok 37330
179: ok 37331
179: ok 37332
179: ok 37333
179: ok 37334
179: ok 37335
179: ok 37336
179: ok 37337
179: ok 37338
179: ok 37339
179: ok 37340
179: ok 37341
179: ok 37342
179: ok 37343
179: ok 37344
179: ok 37345
179: ok 37346
179: ok 37347
179: ok 37348
179: ok 37349
179: ok 37350
179: ok 37351
179: ok 37352
179: ok 37353
179: ok 37354
179: ok 37355
179: ok 37356
179: ok 37357
179: ok 37358
179: ok 37359
179: ok 37360
179: ok 37361
179: ok 37362
179: ok 37363
179: ok 37364
179: ok 37365
179: ok 37366
179: ok 37367
179: ok 37368
179: ok 37369
179: ok 37370
179: ok 37371
179: ok 37372
179: ok 37373
179: ok 37374
179: ok 37375
179: ok 37376
179: ok 37377
179: ok 37378
179: ok 37379
179: ok 37380
179: ok 37381
179: ok 37382
179: ok 37383
179: ok 37384
179: ok 37385
179: ok 37386
179: ok 37387
179: ok 37388
179: ok 37389
179: ok 37390
179: ok 37391
179: ok 37392
179: ok 37393
179: ok 37394
179: ok 37395
179: ok 37396
179: ok 37397
179: ok 37398
179: ok 37399
179: ok 37400
179: ok 37401
179: ok 37402
179: ok 37403
179: ok 37404
179: ok 37405
179: ok 37406
179: ok 37407
179: ok 37408
179: ok 37409
179: ok 37410
179: ok 37411
179: ok 37412
179: ok 37413
179: ok 37414
179: ok 37415
179: ok 37416
179: ok 37417
179: ok 37418
179: ok 37419
179: ok 37420
179: ok 37421
179: ok 37422
179: ok 37423
179: ok 37424
179: ok 37425
179: ok 37426
179: ok 37427
179: ok 37428
179: ok 37429
179: ok 37430
179: ok 37431
179: ok 37432
179: ok 37433
179: ok 37434
179: ok 37435
179: ok 37436
179: ok 37437
179: ok 37438
179: ok 37439
179: ok 37440
179: ok 37441
179: ok 37442
179: ok 37443
179: ok 37444
179: ok 37445
179: ok 37446
179: ok 37447
179: ok 37448
179: ok 37449
179: ok 37450
179: ok 37451
179: ok 37452
179: ok 37453
179: ok 37454
179: ok 37455
179: ok 37456
179: ok 37457
179: ok 37458
179: ok 37459
179: ok 37460
179: ok 37461
179: ok 37462
179: ok 37463
179: ok 37464
179: ok 37465
179: ok 37466
179: ok 37467
179: ok 37468
179: ok 37469
179: ok 37470
179: ok 37471
179: ok 37472
179: ok 37473
179: ok 37474
179: ok 37475
179: ok 37476
179: ok 37477
179: ok 37478
179: ok 37479
179: ok 37480
179: ok 37481
179: ok 37482
179: ok 37483
179: ok 37484
179: ok 37485
179: ok 37486
179: ok 37487
179: ok 37488
179: ok 37489
179: ok 37490
179: ok 37491
179: ok 37492
179: ok 37493
179: ok 37494
179: ok 37495
179: ok 37496
179: ok 37497
179: ok 37498
179: ok 37499
179: ok 37500
179: ok 37501
179: ok 37502
179: ok 37503
179: ok 37504
179: ok 37505
179: ok 37506
179: ok 37507
179: ok 37508
179: ok 37509
179: ok 37510
179: ok 37511
179: ok 37512
179: ok 37513
179: ok 37514
179: ok 37515
179: ok 37516
179: ok 37517
179: ok 37518
179: ok 37519
179: ok 37520
179: ok 37521
179: ok 37522
179: ok 37523
179: ok 37524
179: ok 37525
179: ok 37526
179: ok 37527
179: ok 37528
179: ok 37529
179: ok 37530
179: ok 37531
179: ok 37532
179: ok 37533
179: ok 37534
179: ok 37535
179: ok 37536
179: ok 37537
179: ok 37538
179: ok 37539
179: ok 37540
179: ok 37541
179: ok 37542
179: ok 37543
179: ok 37544
179: ok 37545
179: ok 37546
179: ok 37547
179: ok 37548
179: ok 37549
179: ok 37550
179: ok 37551
179: ok 37552
179: ok 37553
179: ok 37554
179: ok 37555
179: ok 37556
179: ok 37557
179: ok 37558
179: ok 37559
179: ok 37560
179: ok 37561
179: ok 37562
179: ok 37563
179: ok 37564
179: ok 37565
179: ok 37566
179: ok 37567
179: ok 37568
179: ok 37569
179: ok 37570
179: ok 37571
179: ok 37572
179: ok 37573
179: ok 37574
179: ok 37575
179: ok 37576
179: ok 37577
179: ok 37578
179: ok 37579
179: ok 37580
179: ok 37581
179: ok 37582
179: ok 37583
179: ok 37584
179: ok 37585
179: ok 37586
179: ok 37587
179: ok 37588
179: ok 37589
179: ok 37590
179: ok 37591
179: ok 37592
179: ok 37593
179: ok 37594
179: ok 37595
179: ok 37596
179: ok 37597
179: ok 37598
179: ok 37599
179: ok 37600
179: ok 37601
179: ok 37602
179: ok 37603
179: ok 37604
179: ok 37605
179: ok 37606
179: ok 37607
179: ok 37608
179: ok 37609
179: ok 37610
179: ok 37611
179: ok 37612
179: ok 37613
179: ok 37614
179: ok 37615
179: ok 37616
179: ok 37617
179: ok 37618
179: ok 37619
179: ok 37620
179: ok 37621
179: ok 37622
179: ok 37623
179: ok 37624
179: ok 37625
179: ok 37626
179: ok 37627
179: ok 37628
179: ok 37629
179: ok 37630
179: ok 37631
179: ok 37632
179: ok 37633
179: ok 37634
179: ok 37635
179: ok 37636
179: ok 37637
179: ok 37638
179: ok 37639
179: ok 37640
179: ok 37641
179: ok 37642
179: ok 37643
179: ok 37644
179: ok 37645
179: ok 37646
179: ok 37647
179: ok 37648
179: ok 37649
179: ok 37650
179: ok 37651
179: ok 37652
179: ok 37653
179: ok 37654
179: ok 37655
179: ok 37656
179: ok 37657
179: ok 37658
179: ok 37659
179: ok 37660
179: ok 37661
179: ok 37662
179: ok 37663
179: ok 37664
179: ok 37665
179: ok 37666
179: ok 37667
179: ok 37668
179: ok 37669
179: ok 37670
179: ok 37671
179: ok 37672
179: ok 37673
179: ok 37674
179: ok 37675
179: ok 37676
179: ok 37677
179: ok 37678
179: ok 37679
179: ok 37680
179: ok 37681
179: ok 37682
179: ok 37683
179: ok 37684
179: ok 37685
179: ok 37686
179: ok 37687
179: ok 37688
179: ok 37689
179: ok 37690
179: ok 37691
179: ok 37692
179: ok 37693
179: ok 37694
179: ok 37695
179: ok 37696
179: ok 37697
179: ok 37698
179: ok 37699
179: ok 37700
179: ok 37701
179: ok 37702
179: ok 37703
179: ok 37704
179: ok 37705
179: ok 37706
179: ok 37707
179: ok 37708
179: ok 37709
179: ok 37710
179: ok 37711
179: ok 37712
179: ok 37713
179: ok 37714
179: ok 37715
179: ok 37716
179: ok 37717
179: ok 37718
179: ok 37719
179: ok 37720
179: ok 37721
179: ok 37722
179: ok 37723
179: ok 37724
179: ok 37725
179: ok 37726
179: ok 37727
179: ok 37728
179: ok 37729
179: ok 37730
179: ok 37731
179: ok 37732
179: ok 37733
179: ok 37734
179: ok 37735
179: ok 37736
179: ok 37737
179: ok 37738
179: ok 37739
179: ok 37740
179: ok 37741
179: ok 37742
179: ok 37743
179: ok 37744
179: ok 37745
179: ok 37746
179: ok 37747
179: ok 37748
179: ok 37749
179: ok 37750
179: ok 37751
179: ok 37752
179: ok 37753
179: ok 37754
179: ok 37755
179: ok 37756
179: ok 37757
179: ok 37758
179: ok 37759
179: ok 37760
179: ok 37761
179: ok 37762
179: ok 37763
179: ok 37764
179: ok 37765
179: ok 37766
179: ok 37767
179: ok 37768
179: ok 37769
179: ok 37770
179: ok 37771
179: ok 37772
179: ok 37773
179: ok 37774
179: ok 37775
179: ok 37776
179: ok 37777
179: ok 37778
179: ok 37779
179: ok 37780
179: ok 37781
179: ok 37782
179: ok 37783
179: ok 37784
179: ok 37785
179: ok 37786
179: ok 37787
179: ok 37788
179: ok 37789
179: ok 37790
179: ok 37791
179: ok 37792
179: ok 37793
179: ok 37794
179: ok 37795
179: ok 37796
179: ok 37797
179: ok 37798
179: ok 37799
179: ok 37800
179: ok 37801
179: ok 37802
179: ok 37803
179: ok 37804
179: ok 37805
179: ok 37806
179: ok 37807
179: ok 37808
179: ok 37809
179: ok 37810
179: ok 37811
179: ok 37812
179: ok 37813
179: ok 37814
179: ok 37815
179: ok 37816
179: ok 37817
179: ok 37818
179: ok 37819
179: ok 37820
179: ok 37821
179: ok 37822
179: ok 37823
179: ok 37824
179: ok 37825
179: ok 37826
179: ok 37827
179: ok 37828
179: ok 37829
179: ok 37830
179: ok 37831
179: ok 37832
179: ok 37833
179: ok 37834
179: ok 37835
179: ok 37836
179: ok 37837
179: ok 37838
179: ok 37839
179: ok 37840
179: ok 37841
179: ok 37842
179: ok 37843
179: ok 37844
179: ok 37845
179: ok 37846
179: ok 37847
179: ok 37848
179: ok 37849
179: ok 37850
179: ok 37851
179: ok 37852
179: ok 37853
179: ok 37854
179: ok 37855
179: ok 37856
179: ok 37857
179: ok 37858
179: ok 37859
179: ok 37860
179: ok 37861
179: ok 37862
179: ok 37863
179: ok 37864
179: ok 37865
179: ok 37866
179: ok 37867
179: ok 37868
179: ok 37869
179: ok 37870
179: ok 37871
179: ok 37872
179: ok 37873
179: ok 37874
179: ok 37875
179: ok 37876
179: ok 37877
179: ok 37878
179: ok 37879
179: ok 37880
179: ok 37881
179: ok 37882
179: ok 37883
179: ok 37884
179: ok 37885
179: ok 37886
179: ok 37887
179: ok 37888
179: ok 37889
179: ok 37890
179: ok 37891
179: ok 37892
179: ok 37893
179: ok 37894
179: ok 37895
179: ok 37896
179: ok 37897
179: ok 37898
179: ok 37899
179: ok 37900
179: ok 37901
179: ok 37902
179: ok 37903
179: ok 37904
179: ok 37905
179: ok 37906
179: ok 37907
179: ok 37908
179: ok 37909
179: ok 37910
179: ok 37911
179: ok 37912
179: ok 37913
179: ok 37914
179: ok 37915
179: ok 37916
179: ok 37917
179: ok 37918
179: ok 37919
179: ok 37920
179: ok 37921
179: ok 37922
179: ok 37923
179: ok 37924
179: ok 37925
179: ok 37926
179: ok 37927
179: ok 37928
179: ok 37929
179: ok 37930
179: ok 37931
179: ok 37932
179: ok 37933
179: ok 37934
179: ok 37935
179: ok 37936
179: ok 37937
179: ok 37938
179: ok 37939
179: ok 37940
179: ok 37941
179: ok 37942
179: ok 37943
179: ok 37944
179: ok 37945
179: ok 37946
179: ok 37947
179: ok 37948
179: ok 37949
179: ok 37950
179: ok 37951
179: ok 37952
179: ok 37953
179: ok 37954
179: ok 37955
179: ok 37956
179: ok 37957
179: ok 37958
179: ok 37959
179: ok 37960
179: ok 37961
179: ok 37962
179: ok 37963
179: ok 37964
179: ok 37965
179: ok 37966
179: ok 37967
179: ok 37968
179: ok 37969
179: ok 37970
179: ok 37971
179: ok 37972
179: ok 37973
179: ok 37974
179: ok 37975
179: ok 37976
179: ok 37977
179: ok 37978
179: ok 37979
179: ok 37980
179: ok 37981
179: ok 37982
179: ok 37983
179: ok 37984
179: ok 37985
179: ok 37986
179: ok 37987
179: ok 37988
179: ok 37989
179: ok 37990
179: ok 37991
179: ok 37992
179: ok 37993
179: ok 37994
179: ok 37995
179: ok 37996
179: ok 37997
179: ok 37998
179: ok 37999
179: ok 38000
179: ok 38001
179: ok 38002
179: ok 38003
179: ok 38004
179: ok 38005
179: ok 38006
179: ok 38007
179: ok 38008
179: ok 38009
179: ok 38010
179: ok 38011
179: ok 38012
179: ok 38013
179: ok 38014
179: ok 38015
179: ok 38016
179: ok 38017
179: ok 38018
179: ok 38019
179: ok 38020
179: ok 38021
179: ok 38022
179: ok 38023
179: ok 38024
179: ok 38025
179: ok 38026
179: ok 38027
179: ok 38028
179: ok 38029
179: ok 38030
179: ok 38031
179: ok 38032
179: ok 38033
179: ok 38034
179: ok 38035
179: ok 38036
179: ok 38037
179: ok 38038
179: ok 38039
179: ok 38040
179: ok 38041
179: ok 38042
179: ok 38043
179: ok 38044
179: ok 38045
179: ok 38046
179: ok 38047
179: ok 38048
179: ok 38049
179: ok 38050
179: ok 38051
179: ok 38052
179: ok 38053
179: ok 38054
179: ok 38055
179: ok 38056
179: ok 38057
179: ok 38058
179: ok 38059
179: ok 38060
179: ok 38061
179: ok 38062
179: ok 38063
179: ok 38064
179: ok 38065
179: ok 38066
179: ok 38067
179: ok 38068
179: ok 38069
179: ok 38070
179: ok 38071
179: ok 38072
179: ok 38073
179: ok 38074
179: ok 38075
179: ok 38076
179: ok 38077
179: ok 38078
179: ok 38079
179: ok 38080
179: ok 38081
179: ok 38082
179: ok 38083
179: ok 38084
179: ok 38085
179: ok 38086
179: ok 38087
179: ok 38088
179: ok 38089
179: ok 38090
179: ok 38091
179: ok 38092
179: ok 38093
179: ok 38094
179: ok 38095
179: ok 38096
179: ok 38097
179: ok 38098
179: ok 38099
179: ok 38100
179: ok 38101
179: ok 38102
179: ok 38103
179: ok 38104
179: ok 38105
179: ok 38106
179: ok 38107
179: ok 38108
179: ok 38109
179: ok 38110
179: ok 38111
179: ok 38112
179: ok 38113
179: ok 38114
179: ok 38115
179: ok 38116
179: ok 38117
179: ok 38118
179: ok 38119
179: ok 38120
179: ok 38121
179: ok 38122
179: ok 38123
179: ok 38124
179: ok 38125
179: ok 38126
179: ok 38127
179: ok 38128
179: ok 38129
179: ok 38130
179: ok 38131
179: ok 38132
179: ok 38133
179: ok 38134
179: ok 38135
179: ok 38136
179: ok 38137
179: ok 38138
179: ok 38139
179: ok 38140
179: ok 38141
179: ok 38142
179: ok 38143
179: ok 38144
179: ok 38145
179: ok 38146
179: ok 38147
179: ok 38148
179: ok 38149
179: ok 38150
179: ok 38151
179: ok 38152
179: ok 38153
179: ok 38154
179: ok 38155
179: ok 38156
179: ok 38157
179: ok 38158
179: ok 38159
179: ok 38160
179: ok 38161
179: ok 38162
179: ok 38163
179: ok 38164
179: ok 38165
179: ok 38166
179: ok 38167
179: ok 38168
179: ok 38169
179: ok 38170
179: ok 38171
179: ok 38172
179: ok 38173
179: ok 38174
179: ok 38175
179: ok 38176
179: ok 38177
179: ok 38178
179: ok 38179
179: ok 38180
179: ok 38181
179: ok 38182
179: ok 38183
179: ok 38184
179: ok 38185
179: ok 38186
179: ok 38187
179: ok 38188
179: ok 38189
179: ok 38190
179: ok 38191
179: ok 38192
179: ok 38193
179: ok 38194
179: ok 38195
179: ok 38196
179: ok 38197
179: ok 38198
179: ok 38199
179: ok 38200
179: ok 38201
179: ok 38202
179: ok 38203
179: ok 38204
179: ok 38205
179: ok 38206
179: ok 38207
179: ok 38208
179: ok 38209
179: ok 38210
179: ok 38211
179: ok 38212
179: ok 38213
179: ok 38214
179: ok 38215
179: ok 38216
179: ok 38217
179: ok 38218
179: ok 38219
179: ok 38220
179: ok 38221
179: ok 38222
179: ok 38223
179: ok 38224
179: ok 38225
179: ok 38226
179: ok 38227
179: ok 38228
179: ok 38229
179: ok 38230
179: ok 38231
179: ok 38232
179: ok 38233
179: ok 38234
179: ok 38235
179: ok 38236
179: ok 38237
179: ok 38238
179: ok 38239
179: ok 38240
179: ok 38241
179: ok 38242
179: ok 38243
179: ok 38244
179: ok 38245
179: ok 38246
179: ok 38247
179: ok 38248
179: ok 38249
179: ok 38250
179: ok 38251
179: ok 38252
179: ok 38253
179: ok 38254
179: ok 38255
179: ok 38256
179: ok 38257
179: ok 38258
179: ok 38259
179: ok 38260
179: ok 38261
179: ok 38262
179: ok 38263
179: ok 38264
179: ok 38265
179: ok 38266
179: ok 38267
179: ok 38268
179: ok 38269
179: ok 38270
179: ok 38271
179: ok 38272
179: ok 38273
179: ok 38274
179: ok 38275
179: ok 38276
179: ok 38277
179: ok 38278
179: ok 38279
179: ok 38280
179: ok 38281
179: ok 38282
179: ok 38283
179: ok 38284
179: ok 38285
179: ok 38286
179: ok 38287
179: ok 38288
179: ok 38289
179: ok 38290
179: ok 38291
179: ok 38292
179: ok 38293
179: ok 38294
179: ok 38295
179: ok 38296
179: ok 38297
179: ok 38298
179: ok 38299
179: ok 38300
179: ok 38301
179: ok 38302
179: ok 38303
179: ok 38304
179: ok 38305
179: ok 38306
179: ok 38307
179: ok 38308
179: ok 38309
179: ok 38310
179: ok 38311
179: ok 38312
179: ok 38313
179: ok 38314
179: ok 38315
179: ok 38316
179: ok 38317
179: ok 38318
179: ok 38319
179: ok 38320
179: ok 38321
179: ok 38322
179: ok 38323
179: ok 38324
179: ok 38325
179: ok 38326
179: ok 38327
179: ok 38328
179: ok 38329
179: ok 38330
179: ok 38331
179: ok 38332
179: ok 38333
179: ok 38334
179: ok 38335
179: ok 38336
179: ok 38337
179: ok 38338
179: ok 38339
179: ok 38340
179: ok 38341
179: ok 38342
179: ok 38343
179: ok 38344
179: ok 38345
179: ok 38346
179: ok 38347
179: ok 38348
179: ok 38349
179: ok 38350
179: ok 38351
179: ok 38352
179: ok 38353
179: ok 38354
179: ok 38355
179: ok 38356
179: ok 38357
179: ok 38358
179: ok 38359
179: ok 38360
179: ok 38361
179: ok 38362
179: ok 38363
179: ok 38364
179: ok 38365
179: ok 38366
179: ok 38367
179: ok 38368
179: ok 38369
179: ok 38370
179: ok 38371
179: ok 38372
179: ok 38373
179: ok 38374
179: ok 38375
179: ok 38376
179: ok 38377
179: ok 38378
179: ok 38379
179: ok 38380
179: ok 38381
179: ok 38382
179: ok 38383
179: ok 38384
179: ok 38385
179: ok 38386
179: ok 38387
179: ok 38388
179: ok 38389
179: ok 38390
179: ok 38391
179: ok 38392
179: ok 38393
179: ok 38394
179: ok 38395
179: ok 38396
179: ok 38397
179: ok 38398
179: ok 38399
179: ok 38400
179: ok 38401
179: ok 38402
179: ok 38403
179: ok 38404
179: ok 38405
179: ok 38406
179: ok 38407
179: ok 38408
179: ok 38409
179: ok 38410
179: ok 38411
179: ok 38412
179: ok 38413
179: ok 38414
179: ok 38415
179: ok 38416
179: ok 38417
179: ok 38418
179: ok 38419
179: ok 38420
179: ok 38421
179: ok 38422
179: ok 38423
179: ok 38424
179: ok 38425
179: ok 38426
179: ok 38427
179: ok 38428
179: ok 38429
179: ok 38430
179: ok 38431
179: ok 38432
179: ok 38433
179: ok 38434
179: ok 38435
179: ok 38436
179: ok 38437
179: ok 38438
179: ok 38439
179: ok 38440
179: ok 38441
179: ok 38442
179: ok 38443
179: ok 38444
179: ok 38445
179: ok 38446
179: ok 38447
179: ok 38448
179: ok 38449
179: ok 38450
179: ok 38451
179: ok 38452
179: ok 38453
179: ok 38454
179: ok 38455
179: ok 38456
179: ok 38457
179: ok 38458
179: ok 38459
179: ok 38460
179: ok 38461
179: ok 38462
179: ok 38463
179: ok 38464
179: ok 38465
179: ok 38466
179: ok 38467
179: ok 38468
179: ok 38469
179: ok 38470
179: ok 38471
179: ok 38472
179: ok 38473
179: ok 38474
179: ok 38475
179: ok 38476
179: ok 38477
179: ok 38478
179: ok 38479
179: ok 38480
179: ok 38481
179: ok 38482
179: ok 38483
179: ok 38484
179: ok 38485
179: ok 38486
179: ok 38487
179: ok 38488
179: ok 38489
179: ok 38490
179: ok 38491
179: ok 38492
179: ok 38493
179: ok 38494
179: ok 38495
179: ok 38496
179: ok 38497
179: ok 38498
179: ok 38499
179: ok 38500
179: ok 38501
179: ok 38502
179: ok 38503
179: ok 38504
179: ok 38505
179: ok 38506
179: ok 38507
179: ok 38508
179: ok 38509
179: ok 38510
179: ok 38511
179: ok 38512
179: ok 38513
179: ok 38514
179: ok 38515
179: ok 38516
179: ok 38517
179: ok 38518
179: ok 38519
179: ok 38520
179: ok 38521
179: ok 38522
179: ok 38523
179: ok 38524
179: ok 38525
179: ok 38526
179: ok 38527
179: ok 38528
179: ok 38529
179: ok 38530
179: ok 38531
179: ok 38532
179: ok 38533
179: ok 38534
179: ok 38535
179: ok 38536
179: ok 38537
179: ok 38538
179: ok 38539
179: ok 38540
179: ok 38541
179: ok 38542
179: ok 38543
179: ok 38544
179: ok 38545
179: ok 38546
179: ok 38547
179: ok 38548
179: ok 38549
179: ok 38550
179: ok 38551
179: ok 38552
179: ok 38553
179: ok 38554
179: ok 38555
179: ok 38556
179: ok 38557
179: ok 38558
179: ok 38559
179: ok 38560
179: ok 38561
179: ok 38562
179: ok 38563
179: ok 38564
179: ok 38565
179: ok 38566
179: ok 38567
179: ok 38568
179: ok 38569
179: ok 38570
179: ok 38571
179: ok 38572
179: ok 38573
179: ok 38574
179: ok 38575
179: ok 38576
179: ok 38577
179: ok 38578
179: ok 38579
179: ok 38580
179: ok 38581
179: ok 38582
179: ok 38583
179: ok 38584
179: ok 38585
179: ok 38586
179: ok 38587
179: ok 38588
179: ok 38589
179: ok 38590
179: ok 38591
179: ok 38592
179: ok 38593
179: ok 38594
179: ok 38595
179: ok 38596
179: ok 38597
179: ok 38598
179: ok 38599
179: ok 38600
179: ok 38601
179: ok 38602
179: ok 38603
179: ok 38604
179: ok 38605
179: ok 38606
179: ok 38607
179: ok 38608
179: ok 38609
179: ok 38610
179: ok 38611
179: ok 38612
179: ok 38613
179: ok 38614
179: ok 38615
179: ok 38616
179: ok 38617
179: ok 38618
179: ok 38619
179: ok 38620
179: ok 38621
179: ok 38622
179: ok 38623
179: ok 38624
179: ok 38625
179: ok 38626
179: ok 38627
179: ok 38628
179: ok 38629
179: ok 38630
179: ok 38631
179: ok 38632
179: ok 38633
179: ok 38634
179: ok 38635
179: ok 38636
179: ok 38637
179: ok 38638
179: ok 38639
179: ok 38640
179: ok 38641
179: ok 38642
179: ok 38643
179: ok 38644
179: ok 38645
179: ok 38646
179: ok 38647
179: ok 38648
179: ok 38649
179: ok 38650
179: ok 38651
179: ok 38652
179: ok 38653
179: ok 38654
179: ok 38655
179: ok 38656
179: ok 38657
179: ok 38658
179: ok 38659
179: ok 38660
179: ok 38661
179: ok 38662
179: ok 38663
179: ok 38664
179: ok 38665
179: ok 38666
179: ok 38667
179: ok 38668
179: ok 38669
179: ok 38670
179: ok 38671
179: ok 38672
179: ok 38673
179: ok 38674
179: ok 38675
179: ok 38676
179: ok 38677
179: ok 38678
179: ok 38679
179: ok 38680
179: ok 38681
179: ok 38682
179: ok 38683
179: ok 38684
179: ok 38685
179: ok 38686
179: ok 38687
179: ok 38688
179: ok 38689
179: ok 38690
179: ok 38691
179: ok 38692
179: ok 38693
179: ok 38694
179: ok 38695
179: ok 38696
179: ok 38697
179: ok 38698
179: ok 38699
179: ok 38700
179: ok 38701
179: ok 38702
179: ok 38703
179: ok 38704
179: ok 38705
179: ok 38706
179: ok 38707
179: ok 38708
179: ok 38709
179: ok 38710
179: ok 38711
179: ok 38712
179: ok 38713
179: ok 38714
179: ok 38715
179: ok 38716
179: ok 38717
179: ok 38718
179: ok 38719
179: ok 38720
179: ok 38721
179: ok 38722
179: ok 38723
179: ok 38724
179: ok 38725
179: ok 38726
179: ok 38727
179: ok 38728
179: ok 38729
179: ok 38730
179: ok 38731
179: ok 38732
179: ok 38733
179: ok 38734
179: ok 38735
179: ok 38736
179: ok 38737
179: ok 38738
179: ok 38739
179: ok 38740
179: ok 38741
179: ok 38742
179: ok 38743
179: ok 38744
179: ok 38745
179: ok 38746
179: ok 38747
179: ok 38748
179: ok 38749
179: ok 38750
179: ok 38751
179: ok 38752
179: ok 38753
179: ok 38754
179: ok 38755
179: ok 38756
179: ok 38757
179: ok 38758
179: ok 38759
179: ok 38760
179: ok 38761
179: ok 38762
179: ok 38763
179: ok 38764
179: ok 38765
179: ok 38766
179: ok 38767
179: ok 38768
179: ok 38769
179: ok 38770
179: ok 38771
179: ok 38772
179: ok 38773
179: ok 38774
179: ok 38775
179: ok 38776
179: ok 38777
179: ok 38778
179: ok 38779
179: ok 38780
179: ok 38781
179: ok 38782
179: ok 38783
179: ok 38784
179: ok 38785
179: ok 38786
179: ok 38787
179: ok 38788
179: ok 38789
179: ok 38790
179: ok 38791
179: ok 38792
179: ok 38793
179: ok 38794
179: ok 38795
179: ok 38796
179: ok 38797
179: ok 38798
179: ok 38799
179: ok 38800
179: ok 38801
179: ok 38802
179: ok 38803
179: ok 38804
179: ok 38805
179: ok 38806
179: ok 38807
179: ok 38808
179: ok 38809
179: ok 38810
179: ok 38811
179: ok 38812
179: ok 38813
179: ok 38814
179: ok 38815
179: ok 38816
179: ok 38817
179: ok 38818
179: ok 38819
179: ok 38820
179: ok 38821
179: ok 38822
179: ok 38823
179: ok 38824
179: ok 38825
179: ok 38826
179: ok 38827
179: ok 38828
179: ok 38829
179: ok 38830
179: ok 38831
179: ok 38832
179: ok 38833
179: ok 38834
179: ok 38835
179: ok 38836
179: ok 38837
179: ok 38838
179: ok 38839
179: ok 38840
179: ok 38841
179: ok 38842
179: ok 38843
179: ok 38844
179: ok 38845
179: ok 38846
179: ok 38847
179: ok 38848
179: ok 38849
179: ok 38850
179: ok 38851
179: ok 38852
179: ok 38853
179: ok 38854
179: ok 38855
179: ok 38856
179: ok 38857
179: ok 38858
179: ok 38859
179: ok 38860
179: ok 38861
179: ok 38862
179: ok 38863
179: ok 38864
179: ok 38865
179: ok 38866
179: ok 38867
179: ok 38868
179: ok 38869
179: ok 38870
179: ok 38871
179: ok 38872
179: ok 38873
179: ok 38874
179: ok 38875
179: ok 38876
179: ok 38877
179: ok 38878
179: ok 38879
179: ok 38880
179: ok 38881
179: ok 38882
179: ok 38883
179: ok 38884
179: ok 38885
179: ok 38886
179: ok 38887
179: ok 38888
179: ok 38889
179: ok 38890
179: ok 38891
179: ok 38892
179: ok 38893
179: ok 38894
179: ok 38895
179: ok 38896
179: ok 38897
179: ok 38898
179: ok 38899
179: ok 38900
179: ok 38901
179: ok 38902
179: ok 38903
179: ok 38904
179: ok 38905
179: ok 38906
179: ok 38907
179: ok 38908
179: ok 38909
179: ok 38910
179: ok 38911
179: ok 38912
179: ok 38913
179: ok 38914
179: ok 38915
179: ok 38916
179: ok 38917
179: ok 38918
179: ok 38919
179: ok 38920
179: ok 38921
179: ok 38922
179: ok 38923
179: ok 38924
179: ok 38925
179: ok 38926
179: ok 38927
179: ok 38928
179: ok 38929
179: ok 38930
179: ok 38931
179: ok 38932
179: ok 38933
179: ok 38934
179: ok 38935
179: ok 38936
179: ok 38937
179: ok 38938
179: ok 38939
179: ok 38940
179: ok 38941
179: ok 38942
179: ok 38943
179: ok 38944
179: ok 38945
179: ok 38946
179: ok 38947
179: ok 38948
179: ok 38949
179: ok 38950
179: ok 38951
179: ok 38952
179: ok 38953
179: ok 38954
179: ok 38955
179: ok 38956
179: ok 38957
179: ok 38958
179: ok 38959
179: ok 38960
179: ok 38961
179: ok 38962
179: ok 38963
179: ok 38964
179: ok 38965
179: ok 38966
179: ok 38967
179: ok 38968
179: ok 38969
179: ok 38970
179: ok 38971
179: ok 38972
179: ok 38973
179: ok 38974
179: ok 38975
179: ok 38976
179: ok 38977
179: ok 38978
179: ok 38979
179: ok 38980
179: ok 38981
179: ok 38982
179: ok 38983
179: ok 38984
179: ok 38985
179: ok 38986
179: ok 38987
179: ok 38988
179: ok 38989
179: ok 38990
179: ok 38991
179: ok 38992
179: ok 38993
179: ok 38994
179: ok 38995
179: ok 38996
179: ok 38997
179: ok 38998
179: ok 38999
179: ok 39000
179: ok 39001
179: ok 39002
179: ok 39003
179: ok 39004
179: ok 39005
179: ok 39006
179: ok 39007
179: ok 39008
179: ok 39009
179: ok 39010
179: ok 39011
179: ok 39012
179: ok 39013
179: ok 39014
179: ok 39015
179: ok 39016
179: ok 39017
179: ok 39018
179: ok 39019
179: ok 39020
179: ok 39021
179: ok 39022
179: ok 39023
179: ok 39024
179: ok 39025
179: ok 39026
179: ok 39027
179: ok 39028
179: ok 39029
179: ok 39030
179: ok 39031
179: ok 39032
179: ok 39033
179: ok 39034
179: ok 39035
179: ok 39036
179: ok 39037
179: ok 39038
179: ok 39039
179: ok 39040
179: ok 39041
179: ok 39042
179: ok 39043
179: ok 39044
179: ok 39045
179: ok 39046
179: ok 39047
179: ok 39048
179: ok 39049
179: ok 39050
179: ok 39051
179: ok 39052
179: ok 39053
179: ok 39054
179: ok 39055
179: ok 39056
179: ok 39057
179: ok 39058
179: ok 39059
179: ok 39060
179: ok 39061
179: ok 39062
179: ok 39063
179: ok 39064
179: ok 39065
179: ok 39066
179: ok 39067
179: ok 39068
179: ok 39069
179: ok 39070
179: ok 39071
179: ok 39072
179: ok 39073
179: ok 39074
179: ok 39075
179: ok 39076
179: ok 39077
179: ok 39078
179: ok 39079
179: ok 39080
179: ok 39081
179: ok 39082
179: ok 39083
179: ok 39084
179: ok 39085
179: ok 39086
179: ok 39087
179: ok 39088
179: ok 39089
179: ok 39090
179: ok 39091
179: ok 39092
179: ok 39093
179: ok 39094
179: ok 39095
179: ok 39096
179: ok 39097
179: ok 39098
179: ok 39099
179: ok 39100
179: ok 39101
179: ok 39102
179: ok 39103
179: ok 39104
179: ok 39105
179: ok 39106
179: ok 39107
179: ok 39108
179: ok 39109
179: ok 39110
179: ok 39111
179: ok 39112
179: ok 39113
179: ok 39114
179: ok 39115
179: ok 39116
179: ok 39117
179: ok 39118
179: ok 39119
179: ok 39120
179: ok 39121
179: ok 39122
179: ok 39123
179: ok 39124
179: ok 39125
179: ok 39126
179: ok 39127
179: ok 39128
179: ok 39129
179: ok 39130
179: ok 39131
179: ok 39132
179: ok 39133
179: ok 39134
179: ok 39135
179: ok 39136
179: ok 39137
179: ok 39138
179: ok 39139
179: ok 39140
179: ok 39141
179: ok 39142
179: ok 39143
179: ok 39144
179: ok 39145
179: ok 39146
179: ok 39147
179: ok 39148
179: ok 39149
179: ok 39150
179: ok 39151
179: ok 39152
179: ok 39153
179: ok 39154
179: ok 39155
179: ok 39156
179: ok 39157
179: ok 39158
179: ok 39159
179: ok 39160
179: ok 39161
179: ok 39162
179: ok 39163
179: ok 39164
179: ok 39165
179: ok 39166
179: ok 39167
179: ok 39168
179: ok 39169
179: ok 39170
179: ok 39171
179: ok 39172
179: ok 39173
179: ok 39174
179: ok 39175
179: ok 39176
179: ok 39177
179: ok 39178
179: ok 39179
179: ok 39180
179: ok 39181
179: ok 39182
179: ok 39183
179: ok 39184
179: ok 39185
179: ok 39186
179: ok 39187
179: ok 39188
179: ok 39189
179: ok 39190
179: ok 39191
179: ok 39192
179: ok 39193
179: ok 39194
179: ok 39195
179: ok 39196
179: ok 39197
179: ok 39198
179: ok 39199
179: ok 39200
179: ok 39201
179: ok 39202
179: ok 39203
179: ok 39204
179: ok 39205
179: ok 39206
179: ok 39207
179: ok 39208
179: ok 39209
179: ok 39210
179: ok 39211
179: ok 39212
179: ok 39213
179: ok 39214
179: ok 39215
179: ok 39216
179: ok 39217
179: ok 39218
179: ok 39219
179: ok 39220
179: ok 39221
179: ok 39222
179: ok 39223
179: ok 39224
179: ok 39225
179: ok 39226
179: ok 39227
179: ok 39228
179: ok 39229
179: ok 39230
179: ok 39231
179: ok 39232
179: ok 39233
179: ok 39234
179: ok 39235
179: ok 39236
179: ok 39237
179: ok 39238
179: ok 39239
179: ok 39240
179: ok 39241
179: ok 39242
179: ok 39243
179: ok 39244
179: ok 39245
179: ok 39246
179: ok 39247
179: ok 39248
179: ok 39249
179: ok 39250
179: ok 39251
179: ok 39252
179: ok 39253
179: ok 39254
179: ok 39255
179: ok 39256
179: ok 39257
179: ok 39258
179: ok 39259
179: ok 39260
179: ok 39261
179: ok 39262
179: ok 39263
179: ok 39264
179: ok 39265
179: ok 39266
179: ok 39267
179: ok 39268
179: ok 39269
179: ok 39270
179: ok 39271
179: ok 39272
179: ok 39273
179: ok 39274
179: ok 39275
179: ok 39276
179: ok 39277
179: ok 39278
179: ok 39279
179: ok 39280
179: ok 39281
179: ok 39282
179: ok 39283
179: ok 39284
179: ok 39285
179: ok 39286
179: ok 39287
179: ok 39288
179: ok 39289
179: ok 39290
179: ok 39291
179: ok 39292
179: ok 39293
179: ok 39294
179: ok 39295
179: ok 39296
179: ok 39297
179: ok 39298
179: ok 39299
179: ok 39300
179: ok 39301
179: ok 39302
179: ok 39303
179: ok 39304
179: ok 39305
179: ok 39306
179: ok 39307
179: ok 39308
179: ok 39309
179: ok 39310
179: ok 39311
179: ok 39312
179: ok 39313
179: ok 39314
179: ok 39315
179: ok 39316
179: ok 39317
179: ok 39318
179: ok 39319
179: ok 39320
179: ok 39321
179: ok 39322
179: ok 39323
179: ok 39324
179: ok 39325
179: ok 39326
179: ok 39327
179: ok 39328
179: ok 39329
179: ok 39330
179: ok 39331
179: ok 39332
179: ok 39333
179: ok 39334
179: ok 39335
179: ok 39336
179: ok 39337
179: ok 39338
179: ok 39339
179: ok 39340
179: ok 39341
179: ok 39342
179: ok 39343
179: ok 39344
179: ok 39345
179: ok 39346
179: ok 39347
179: ok 39348
179: ok 39349
179: ok 39350
179: ok 39351
179: ok 39352
179: ok 39353
179: ok 39354
179: ok 39355
179: ok 39356
179: ok 39357
179: ok 39358
179: ok 39359
179: ok 39360
179: ok 39361
179: ok 39362
179: ok 39363
179: ok 39364
179: ok 39365
179: ok 39366
179: ok 39367
179: ok 39368
179: ok 39369
179: ok 39370
179: ok 39371
179: ok 39372
179: ok 39373
179: ok 39374
179: ok 39375
179: ok 39376
179: ok 39377
179: ok 39378
179: ok 39379
179: ok 39380
179: ok 39381
179: ok 39382
179: ok 39383
179: ok 39384
179: ok 39385
179: ok 39386
179: ok 39387
179: ok 39388
179: ok 39389
179: ok 39390
179: ok 39391
179: ok 39392
179: ok 39393
179: ok 39394
179: ok 39395
179: ok 39396
179: ok 39397
179: ok 39398
179: ok 39399
179: ok 39400
179: ok 39401
179: ok 39402
179: ok 39403
179: ok 39404
179: ok 39405
179: ok 39406
179: ok 39407
179: ok 39408
179: ok 39409
179: ok 39410
179: ok 39411
179: ok 39412
179: ok 39413
179: ok 39414
179: ok 39415
179: ok 39416
179: ok 39417
179: ok 39418
179: ok 39419
179: ok 39420
179: ok 39421
179: ok 39422
179: ok 39423
179: ok 39424
179: ok 39425
179: ok 39426
179: ok 39427
179: ok 39428
179: ok 39429
179: ok 39430
179: ok 39431
179: ok 39432
179: ok 39433
179: ok 39434
179: ok 39435
179: ok 39436
179: ok 39437
179: ok 39438
179: ok 39439
179: ok 39440
179: ok 39441
179: ok 39442
179: ok 39443
179: ok 39444
179: ok 39445
179: ok 39446
179: ok 39447
179: ok 39448
179: ok 39449
179: ok 39450
179: ok 39451
179: ok 39452
179: ok 39453
179: ok 39454
179: ok 39455
179: ok 39456
179: ok 39457
179: ok 39458
179: ok 39459
179: ok 39460
179: ok 39461
179: ok 39462
179: ok 39463
179: ok 39464
179: ok 39465
179: ok 39466
179: ok 39467
179: ok 39468
179: ok 39469
179: ok 39470
179: ok 39471
179: ok 39472
179: ok 39473
179: ok 39474
179: ok 39475
179: ok 39476
179: ok 39477
179: ok 39478
179: ok 39479
179: ok 39480
179: ok 39481
179: ok 39482
179: ok 39483
179: ok 39484
179: ok 39485
179: ok 39486
179: ok 39487
179: ok 39488
179: ok 39489
179: ok 39490
179: ok 39491
179: ok 39492
179: ok 39493
179: ok 39494
179: ok 39495
179: ok 39496
179: ok 39497
179: ok 39498
179: ok 39499
179: ok 39500
179: ok 39501
179: ok 39502
179: ok 39503
179: ok 39504
179: ok 39505
179: ok 39506
179: ok 39507
179: ok 39508
179: ok 39509
179: ok 39510
179: ok 39511
179: ok 39512
179: ok 39513
179: ok 39514
179: ok 39515
179: ok 39516
179: ok 39517
179: ok 39518
179: ok 39519
179: ok 39520
179: ok 39521
179: ok 39522
179: ok 39523
179: ok 39524
179: ok 39525
179: ok 39526
179: ok 39527
179: ok 39528
179: ok 39529
179: ok 39530
179: ok 39531
179: ok 39532
179: ok 39533
179: ok 39534
179: ok 39535
179: ok 39536
179: ok 39537
179: ok 39538
179: ok 39539
179: ok 39540
179: ok 39541
179: ok 39542
179: ok 39543
179: ok 39544
179: ok 39545
179: ok 39546
179: ok 39547
179: ok 39548
179: ok 39549
179: ok 39550
179: ok 39551
179: ok 39552
179: ok 39553
179: ok 39554
179: ok 39555
179: ok 39556
179: ok 39557
179: ok 39558
179: ok 39559
179: ok 39560
179: ok 39561
179: ok 39562
179: ok 39563
179: ok 39564
179: ok 39565
179: ok 39566
179: ok 39567
179: ok 39568
179: ok 39569
179: ok 39570
179: ok 39571
179: ok 39572
179: ok 39573
179: ok 39574
179: ok 39575
179: ok 39576
179: ok 39577
179: ok 39578
179: ok 39579
179: ok 39580
179: ok 39581
179: ok 39582
179: ok 39583
179: ok 39584
179: ok 39585
179: ok 39586
179: ok 39587
179: ok 39588
179: ok 39589
179: ok 39590
179: ok 39591
179: ok 39592
179: ok 39593
179: ok 39594
179: ok 39595
179: ok 39596
179: ok 39597
179: ok 39598
179: ok 39599
179: ok 39600
179: ok 39601
179: ok 39602
179: ok 39603
179: ok 39604
179: ok 39605
179: ok 39606
179: ok 39607
179: ok 39608
179: ok 39609
179: ok 39610
179: ok 39611
179: ok 39612
179: ok 39613
179: ok 39614
179: ok 39615
179: ok 39616
179: ok 39617
179: ok 39618
179: ok 39619
179: ok 39620
179: ok 39621
179: ok 39622
179: ok 39623
179: ok 39624
179: ok 39625
179: ok 39626
179: ok 39627
179: ok 39628
179: ok 39629
179: ok 39630
179: ok 39631
179: ok 39632
179: ok 39633
179: ok 39634
179: ok 39635
179: ok 39636
179: ok 39637
179: ok 39638
179: ok 39639
179: ok 39640
179: ok 39641
179: ok 39642
179: ok 39643
179: ok 39644
179: ok 39645
179: ok 39646
179: ok 39647
179: ok 39648
179: ok 39649
179: ok 39650
179: ok 39651
179: ok 39652
179: ok 39653
179: ok 39654
179: ok 39655
179: ok 39656
179: ok 39657
179: ok 39658
179: ok 39659
179: ok 39660
179: ok 39661
179: ok 39662
179: ok 39663
179: ok 39664
179: ok 39665
179: ok 39666
179: ok 39667
179: ok 39668
179: ok 39669
179: ok 39670
179: ok 39671
179: ok 39672
179: ok 39673
179: ok 39674
179: ok 39675
179: ok 39676
179: ok 39677
179: ok 39678
179: ok 39679
179: ok 39680
179: ok 39681
179: ok 39682
179: ok 39683
179: ok 39684
179: ok 39685
179: ok 39686
179: ok 39687
179: ok 39688
179: ok 39689
179: ok 39690
179: ok 39691
179: ok 39692
179: ok 39693
179: ok 39694
179: ok 39695
179: ok 39696
179: ok 39697
179: ok 39698
179: ok 39699
179: ok 39700
179: ok 39701
179: ok 39702
179: ok 39703
179: ok 39704
179: ok 39705
179: ok 39706
179: ok 39707
179: ok 39708
179: ok 39709
179: ok 39710
179: ok 39711
179: ok 39712
179: ok 39713
179: ok 39714
179: ok 39715
179: ok 39716
179: ok 39717
179: ok 39718
179: ok 39719
179: ok 39720
179: ok 39721
179: ok 39722
179: ok 39723
179: ok 39724
179: ok 39725
179: ok 39726
179: ok 39727
179: ok 39728
179: ok 39729
179: ok 39730
179: ok 39731
179: ok 39732
179: ok 39733
179: ok 39734
179: ok 39735
179: ok 39736
179: ok 39737
179: ok 39738
179: ok 39739
179: ok 39740
179: ok 39741
179: ok 39742
179: ok 39743
179: ok 39744
179: ok 39745
179: ok 39746
179: ok 39747
179: ok 39748
179: ok 39749
179: ok 39750
179: ok 39751
179: ok 39752
179: ok 39753
179: ok 39754
179: ok 39755
179: ok 39756
179: ok 39757
179: ok 39758
179: ok 39759
179: ok 39760
179: ok 39761
179: ok 39762
179: ok 39763
179: ok 39764
179: ok 39765
179: ok 39766
179: ok 39767
179: ok 39768
179: ok 39769
179: ok 39770
179: ok 39771
179: ok 39772
179: ok 39773
179: ok 39774
179: ok 39775
179: ok 39776
179: ok 39777
179: ok 39778
179: ok 39779
179: ok 39780
179: ok 39781
179: ok 39782
179: ok 39783
179: ok 39784
179: ok 39785
179: ok 39786
179: ok 39787
179: ok 39788
179: ok 39789
179: ok 39790
179: ok 39791
179: ok 39792
179: ok 39793
179: ok 39794
179: ok 39795
179: ok 39796
179: ok 39797
179: ok 39798
179: ok 39799
179: ok 39800
179: ok 39801
179: ok 39802
179: ok 39803
179: ok 39804
179: ok 39805
179: ok 39806
179: ok 39807
179: ok 39808
179: ok 39809
179: ok 39810
179: ok 39811
179: ok 39812
179: ok 39813
179: ok 39814
179: ok 39815
179: ok 39816
179: ok 39817
179: ok 39818
179: ok 39819
179: ok 39820
179: ok 39821
179: ok 39822
179: ok 39823
179: ok 39824
179: ok 39825
179: ok 39826
179: ok 39827
179: ok 39828
179: ok 39829
179: ok 39830
179: ok 39831
179: ok 39832
179: ok 39833
179: ok 39834
179: ok 39835
179: ok 39836
179: ok 39837
179: ok 39838
179: ok 39839
179: ok 39840
179: ok 39841
179: ok 39842
179: ok 39843
179: ok 39844
179: ok 39845
179: ok 39846
179: ok 39847
179: ok 39848
179: ok 39849
179: ok 39850
179: ok 39851
179: ok 39852
179: ok 39853
179: ok 39854
179: ok 39855
179: ok 39856
179: ok 39857
179: ok 39858
179: ok 39859
179: ok 39860
179: ok 39861
179: ok 39862
179: ok 39863
179: ok 39864
179: ok 39865
179: ok 39866
179: ok 39867
179: ok 39868
179: ok 39869
179: ok 39870
179: ok 39871
179: ok 39872
179: ok 39873
179: ok 39874
179: ok 39875
179: ok 39876
179: ok 39877
179: ok 39878
179: ok 39879
179: ok 39880
179: ok 39881
179: ok 39882
179: ok 39883
179: ok 39884
179: ok 39885
179: ok 39886
179: ok 39887
179: ok 39888
179: ok 39889
179: ok 39890
179: ok 39891
179: ok 39892
179: ok 39893
179: ok 39894
179: ok 39895
179: ok 39896
179: ok 39897
179: ok 39898
179: ok 39899
179: ok 39900
179: ok 39901
179: ok 39902
179: ok 39903
179: ok 39904
179: ok 39905
179: ok 39906
179: ok 39907
179: ok 39908
179: ok 39909
179: ok 39910
179: ok 39911
179: ok 39912
179: ok 39913
179: ok 39914
179: ok 39915
179: ok 39916
179: ok 39917
179: ok 39918
179: ok 39919
179: ok 39920
179: ok 39921
179: ok 39922
179: ok 39923
179: ok 39924
179: ok 39925
179: ok 39926
179: ok 39927
179: ok 39928
179: ok 39929
179: ok 39930
179: ok 39931
179: ok 39932
179: ok 39933
179: ok 39934
179: ok 39935
179: ok 39936
179: ok 39937
179: ok 39938
179: ok 39939
179: ok 39940
179: ok 39941
179: ok 39942
179: ok 39943
179: ok 39944
179: ok 39945
179: ok 39946
179: ok 39947
179: ok 39948
179: ok 39949
179: ok 39950
179: ok 39951
179: ok 39952
179: ok 39953
179: ok 39954
179: ok 39955
179: ok 39956
179: ok 39957
179: ok 39958
179: ok 39959
179: ok 39960
179: ok 39961
179: ok 39962
179: ok 39963
179: ok 39964
179: ok 39965
179: ok 39966
179: ok 39967
179: ok 39968
179: ok 39969
179: ok 39970
179: ok 39971
179: ok 39972
179: ok 39973
179: ok 39974
179: ok 39975
179: ok 39976
179: ok 39977
179: ok 39978
179: ok 39979
179: ok 39980
179: ok 39981
179: ok 39982
179: ok 39983
179: ok 39984
179: ok 39985
179: ok 39986
179: ok 39987
179: ok 39988
179: ok 39989
179: ok 39990
179: ok 39991
179: ok 39992
179: ok 39993
179: ok 39994
179: ok 39995
179: ok 39996
179: ok 39997
179: ok 39998
179: ok 39999
179: ok 40000
179: ok 40001
179: ok 40002
179: ok 40003
179: ok 40004
179: ok 40005
179: ok 40006
179: ok 40007
179: ok 40008
179: ok 40009
179: ok 40010
179: ok 40011
179: ok 40012
179: ok 40013
179: ok 40014
179: ok 40015
179: ok 40016
179: ok 40017
179: ok 40018
179: ok 40019
179: ok 40020
179: ok 40021
179: ok 40022
179: ok 40023
179: ok 40024
179: ok 40025
179: ok 40026
179: ok 40027
179: ok 40028
179: ok 40029
179: ok 40030
179: ok 40031
179: ok 40032
179: ok 40033
179: ok 40034
179: ok 40035
179: ok 40036
179: ok 40037
179: ok 40038
179: ok 40039
179: ok 40040
179: ok 40041
179: ok 40042
179: ok 40043
179: ok 40044
179: ok 40045
179: ok 40046
179: ok 40047
179: ok 40048
179: ok 40049
179: ok 40050
179: ok 40051
179: ok 40052
179: ok 40053
179: ok 40054
179: ok 40055
179: ok 40056
179: ok 40057
179: ok 40058
179: ok 40059
179: ok 40060
179: ok 40061
179: ok 40062
179: ok 40063
179: ok 40064
179: ok 40065
179: ok 40066
179: ok 40067
179: ok 40068
179: ok 40069
179: ok 40070
179: ok 40071
179: ok 40072
179: ok 40073
179: ok 40074
179: ok 40075
179: ok 40076
179: ok 40077
179: ok 40078
179: ok 40079
179: ok 40080
179: ok 40081
179: ok 40082
179: ok 40083
179: ok 40084
179: ok 40085
179: ok 40086
179: ok 40087
179: ok 40088
179: ok 40089
179: ok 40090
179: ok 40091
179: ok 40092
179: ok 40093
179: ok 40094
179: ok 40095
179: ok 40096
179: ok 40097
179: ok 40098
179: ok 40099
179: ok 40100
179: ok 40101
179: ok 40102
179: ok 40103
179: ok 40104
179: ok 40105
179: ok 40106
179: ok 40107
179: ok 40108
179: ok 40109
179: ok 40110
179: ok 40111
179: ok 40112
179: ok 40113
179: ok 40114
179: ok 40115
179: ok 40116
179: ok 40117
179: ok 40118
179: ok 40119
179: ok 40120
179: ok 40121
179: ok 40122
179: ok 40123
179: ok 40124
179: ok 40125
179: ok 40126
179: ok 40127
179: ok 40128
179: ok 40129
179: ok 40130
179: ok 40131
179: ok 40132
179: ok 40133
179: ok 40134
179: ok 40135
179: ok 40136
179: ok 40137
179: ok 40138
179: ok 40139
179: ok 40140
179: ok 40141
179: ok 40142
179: ok 40143
179: ok 40144
179: ok 40145
179: ok 40146
179: ok 40147
179: ok 40148
179: ok 40149
179: ok 40150
179: ok 40151
179: ok 40152
179: ok 40153
179: ok 40154
179: ok 40155
179: ok 40156
179: ok 40157
179: ok 40158
179: ok 40159
179: ok 40160
179: ok 40161
179: ok 40162
179: ok 40163
179: ok 40164
179: ok 40165
179: ok 40166
179: ok 40167
179: ok 40168
179: ok 40169
179: ok 40170
179: ok 40171
179: ok 40172
179: ok 40173
179: ok 40174
179: ok 40175
179: ok 40176
179: ok 40177
179: ok 40178
179: ok 40179
179: ok 40180
179: ok 40181
179: ok 40182
179: ok 40183
179: ok 40184
179: ok 40185
179: ok 40186
179: ok 40187
179: ok 40188
179: ok 40189
179: ok 40190
179: ok 40191
179: ok 40192
179: ok 40193
179: ok 40194
179: ok 40195
179: ok 40196
179: ok 40197
179: ok 40198
179: ok 40199
179: ok 40200
179: ok 40201
179: ok 40202
179: ok 40203
179: ok 40204
179: ok 40205
179: ok 40206
179: ok 40207
179: ok 40208
179: ok 40209
179: ok 40210
179: ok 40211
179: ok 40212
179: ok 40213
179: ok 40214
179: ok 40215
179: ok 40216
179: ok 40217
179: ok 40218
179: ok 40219
179: ok 40220
179: ok 40221
179: ok 40222
179: ok 40223
179: ok 40224
179: ok 40225
179: ok 40226
179: ok 40227
179: ok 40228
179: ok 40229
179: ok 40230
179: ok 40231
179: ok 40232
179: ok 40233
179: ok 40234
179: ok 40235
179: ok 40236
179: ok 40237
179: ok 40238
179: ok 40239
179: ok 40240
179: ok 40241
179: ok 40242
179: ok 40243
179: ok 40244
179: ok 40245
179: ok 40246
179: ok 40247
179: ok 40248
179: ok 40249
179: ok 40250
179: ok 40251
179: ok 40252
179: ok 40253
179: ok 40254
179: ok 40255
179: ok 40256
179: ok 40257
179: ok 40258
179: ok 40259
179: ok 40260
179: ok 40261
179: ok 40262
179: ok 40263
179: ok 40264
179: ok 40265
179: ok 40266
179: ok 40267
179: ok 40268
179: ok 40269
179: ok 40270
179: ok 40271
179: ok 40272
179: ok 40273
179: ok 40274
179: ok 40275
179: ok 40276
179: ok 40277
179: ok 40278
179: ok 40279
179: ok 40280
179: ok 40281
179: ok 40282
179: ok 40283
179: ok 40284
179: ok 40285
179: ok 40286
179: ok 40287
179: ok 40288
179: ok 40289
179: ok 40290
179: ok 40291
179: ok 40292
179: ok 40293
179: ok 40294
179: ok 40295
179: ok 40296
179: ok 40297
179: ok 40298
179: ok 40299
179: ok 40300
179: ok 40301
179: ok 40302
179: ok 40303
179: ok 40304
179: ok 40305
179: ok 40306
179: ok 40307
179: ok 40308
179: ok 40309
179: ok 40310
179: ok 40311
179: ok 40312
179: ok 40313
179: ok 40314
179: ok 40315
179: ok 40316
179: ok 40317
179: ok 40318
179: ok 40319
179: ok 40320
179: ok 40321
179: ok 40322
179: ok 40323
179: ok 40324
179: ok 40325
179: ok 40326
179: ok 40327
179: ok 40328
179: ok 40329
179: ok 40330
179: ok 40331
179: ok 40332
179: ok 40333
179: ok 40334
179: ok 40335
179: ok 40336
179: ok 40337
179: ok 40338
179: ok 40339
179: ok 40340
179: ok 40341
179: ok 40342
179: ok 40343
179: ok 40344
179: ok 40345
179: ok 40346
179: ok 40347
179: ok 40348
179: ok 40349
179: ok 40350
179: ok 40351
179: ok 40352
179: ok 40353
179: ok 40354
179: ok 40355
179: ok 40356
179: ok 40357
179: ok 40358
179: ok 40359
179: ok 40360
179: ok 40361
179: ok 40362
179: ok 40363
179: ok 40364
179: ok 40365
179: ok 40366
179: ok 40367
179: ok 40368
179: ok 40369
179: ok 40370
179: ok 40371
179: ok 40372
179: ok 40373
179: ok 40374
179: ok 40375
179: ok 40376
179: ok 40377
179: ok 40378
179: ok 40379
179: ok 40380
179: ok 40381
179: ok 40382
179: ok 40383
179: ok 40384
179: ok 40385
179: ok 40386
179: ok 40387
179: ok 40388
179: ok 40389
179: ok 40390
179: ok 40391
179: ok 40392
179: ok 40393
179: ok 40394
179: ok 40395
179: ok 40396
179: ok 40397
179: ok 40398
179: ok 40399
179: ok 40400
179: ok 40401
179: ok 40402
179: ok 40403
179: ok 40404
179: ok 40405
179: ok 40406
179: ok 40407
179: ok 40408
179: ok 40409
179: ok 40410
179: ok 40411
179: ok 40412
179: ok 40413
179: ok 40414
179: ok 40415
179: ok 40416
179: ok 40417
179: ok 40418
179: ok 40419
179: ok 40420
179: ok 40421
179: ok 40422
179: ok 40423
179: ok 40424
179: ok 40425
179: ok 40426
179: ok 40427
179: ok 40428
179: ok 40429
179: ok 40430
179: ok 40431
179: ok 40432
179: ok 40433
179: ok 40434
179: ok 40435
179: ok 40436
179: ok 40437
179: ok 40438
179: ok 40439
179: ok 40440
179: ok 40441
179: ok 40442
179: ok 40443
179: ok 40444
179: ok 40445
179: ok 40446
179: ok 40447
179: ok 40448
179: ok 40449
179: ok 40450
179: ok 40451
179: ok 40452
179: ok 40453
179: ok 40454
179: ok 40455
179: ok 40456
179: ok 40457
179: ok 40458
179: ok 40459
179: ok 40460
179: ok 40461
179: ok 40462
179: ok 40463
179: ok 40464
179: ok 40465
179: ok 40466
179: ok 40467
179: ok 40468
179: ok 40469
179: ok 40470
179: ok 40471
179: ok 40472
179: ok 40473
179: ok 40474
179: ok 40475
179: ok 40476
179: ok 40477
179: ok 40478
179: ok 40479
179: ok 40480
179: ok 40481
179: ok 40482
179: ok 40483
179: ok 40484
179: ok 40485
179: ok 40486
179: ok 40487
179: ok 40488
179: ok 40489
179: ok 40490
179: ok 40491
179: ok 40492
179: ok 40493
179: ok 40494
179: ok 40495
179: ok 40496
179: ok 40497
179: ok 40498
179: ok 40499
179: ok 40500
179: ok 40501
179: ok 40502
179: ok 40503
179: ok 40504
179: ok 40505
179: ok 40506
179: ok 40507
179: ok 40508
179: ok 40509
179: ok 40510
179: ok 40511
179: ok 40512
179: ok 40513
179: ok 40514
179: ok 40515
179: ok 40516
179: ok 40517
179: ok 40518
179: ok 40519
179: ok 40520
179: ok 40521
179: ok 40522
179: ok 40523
179: ok 40524
179: ok 40525
179: ok 40526
179: ok 40527
179: ok 40528
179: ok 40529
179: ok 40530
179: ok 40531
179: ok 40532
179: ok 40533
179: ok 40534
179: ok 40535
179: ok 40536
179: ok 40537
179: ok 40538
179: ok 40539
179: ok 40540
179: ok 40541
179: ok 40542
179: ok 40543
179: ok 40544
179: ok 40545
179: ok 40546
179: ok 40547
179: ok 40548
179: ok 40549
179: ok 40550
179: ok 40551
179: ok 40552
179: ok 40553
179: ok 40554
179: ok 40555
179: ok 40556
179: ok 40557
179: ok 40558
179: ok 40559
179: ok 40560
179: ok 40561
179: ok 40562
179: ok 40563
179: ok 40564
179: ok 40565
179: ok 40566
179: ok 40567
179: ok 40568
179: ok 40569
179: ok 40570
179: ok 40571
179: ok 40572
179: ok 40573
179: ok 40574
179: ok 40575
179: ok 40576
179: ok 40577
179: ok 40578
179: ok 40579
179: ok 40580
179: ok 40581
179: ok 40582
179: ok 40583
179: ok 40584
179: ok 40585
179: ok 40586
179: ok 40587
179: ok 40588
179: ok 40589
179: ok 40590
179: ok 40591
179: ok 40592
179: ok 40593
179: ok 40594
179: ok 40595
179: ok 40596
179: ok 40597
179: ok 40598
179: ok 40599
179: ok 40600
179: ok 40601
179: ok 40602
179: ok 40603
179: ok 40604
179: ok 40605
179: ok 40606
179: ok 40607
179: ok 40608
179: ok 40609
179: ok 40610
179: ok 40611
179: ok 40612
179: ok 40613
179: ok 40614
179: ok 40615
179: ok 40616
179: ok 40617
179: ok 40618
179: ok 40619
179: ok 40620
179: ok 40621
179: ok 40622
179: ok 40623
179: ok 40624
179: ok 40625
179: ok 40626
179: ok 40627
179: ok 40628
179: ok 40629
179: ok 40630
179: ok 40631
179: ok 40632
179: ok 40633
179: ok 40634
179: ok 40635
179: ok 40636
179: ok 40637
179: ok 40638
179: ok 40639
179: ok 40640
179: ok 40641
179: ok 40642
179: ok 40643
179: ok 40644
179: ok 40645
179: ok 40646
179: ok 40647
179: ok 40648
179: ok 40649
179: ok 40650
179: ok 40651
179: ok 40652
179: ok 40653
179: ok 40654
179: ok 40655
179: ok 40656
179: ok 40657
179: ok 40658
179: ok 40659
179: ok 40660
179: ok 40661
179: ok 40662
179: ok 40663
179: ok 40664
179: ok 40665
179: ok 40666
179: ok 40667
179: ok 40668
179: ok 40669
179: ok 40670
179: ok 40671
179: ok 40672
179: ok 40673
179: ok 40674
179: ok 40675
179: ok 40676
179: ok 40677
179: ok 40678
179: ok 40679
179: ok 40680
179: ok 40681
179: ok 40682
179: ok 40683
179: ok 40684
179: ok 40685
179: ok 40686
179: ok 40687
179: ok 40688
179: ok 40689
179: ok 40690
179: ok 40691
179: ok 40692
179: ok 40693
179: ok 40694
179: ok 40695
179: ok 40696
179: ok 40697
179: ok 40698
179: ok 40699
179: ok 40700
179: ok 40701
179: ok 40702
179: ok 40703
179: ok 40704
179: ok 40705
179: ok 40706
179: ok 40707
179: ok 40708
179: ok 40709
179: ok 40710
179: ok 40711
179: ok 40712
179: ok 40713
179: ok 40714
179: ok 40715
179: ok 40716
179: ok 40717
179: ok 40718
179: ok 40719
179: ok 40720
179: ok 40721
179: ok 40722
179: ok 40723
179: ok 40724
179: ok 40725
179: ok 40726
179: ok 40727
179: ok 40728
179: ok 40729
179: ok 40730
179: ok 40731
179: ok 40732
179: ok 40733
179: ok 40734
179: ok 40735
179: ok 40736
179: ok 40737
179: ok 40738
179: ok 40739
179: ok 40740
179: ok 40741
179: ok 40742
179: ok 40743
179: ok 40744
179: ok 40745
179: ok 40746
179: ok 40747
179: ok 40748
179: ok 40749
179: ok 40750
179: ok 40751
179: ok 40752
179: ok 40753
179: ok 40754
179: ok 40755
179: ok 40756
179: ok 40757
179: ok 40758
179: ok 40759
179: ok 40760
179: ok 40761
179: ok 40762
179: ok 40763
179: ok 40764
179: ok 40765
179: ok 40766
179: ok 40767
179: ok 40768
179: ok 40769
179: ok 40770
179: ok 40771
179: ok 40772
179: ok 40773
179: ok 40774
179: ok 40775
179: ok 40776
179: ok 40777
179: ok 40778
179: ok 40779
179: ok 40780
179: ok 40781
179: ok 40782
179: ok 40783
179: ok 40784
179: ok 40785
179: ok 40786
179: ok 40787
179: ok 40788
179: ok 40789
179: ok 40790
179: ok 40791
179: ok 40792
179: ok 40793
179: ok 40794
179: ok 40795
179: ok 40796
179: ok 40797
179: ok 40798
179: ok 40799
179: ok 40800
179: ok 40801
179: ok 40802
179: ok 40803
179: ok 40804
179: ok 40805
179: ok 40806
179: ok 40807
179: ok 40808
179: ok 40809
179: ok 40810
179: ok 40811
179: ok 40812
179: ok 40813
179: ok 40814
179: ok 40815
179: ok 40816
179: ok 40817
179: ok 40818
179: ok 40819
179: ok 40820
179: ok 40821
179: ok 40822
179: ok 40823
179: ok 40824
179: ok 40825
179: ok 40826
179: ok 40827
179: ok 40828
179: ok 40829
179: ok 40830
179: ok 40831
179: ok 40832
179: ok 40833
179: ok 40834
179: ok 40835
179: ok 40836
179: ok 40837
179: ok 40838
179: ok 40839
179: ok 40840
179: ok 40841
179: ok 40842
179: ok 40843
179: ok 40844
179: ok 40845
179: ok 40846
179: ok 40847
179: ok 40848
179: ok 40849
179: ok 40850
179: ok 40851
179: ok 40852
179: ok 40853
179: ok 40854
179: ok 40855
179: ok 40856
179: ok 40857
179: ok 40858
179: ok 40859
179: ok 40860
179: ok 40861
179: ok 40862
179: ok 40863
179: ok 40864
179: ok 40865
179: ok 40866
179: ok 40867
179: ok 40868
179: ok 40869
179: ok 40870
179: ok 40871
179: ok 40872
179: ok 40873
179: ok 40874
179: ok 40875
179: ok 40876
179: ok 40877
179: ok 40878
179: ok 40879
179: ok 40880
179: ok 40881
179: ok 40882
179: ok 40883
179: ok 40884
179: ok 40885
179: ok 40886
179: ok 40887
179: ok 40888
179: ok 40889
179: ok 40890
179: ok 40891
179: ok 40892
179: ok 40893
179: ok 40894
179: ok 40895
179: ok 40896
179: ok 40897
179: ok 40898
179: ok 40899
179: ok 40900
179: ok 40901
179: ok 40902
179: ok 40903
179: ok 40904
179: ok 40905
179: ok 40906
179: ok 40907
179: ok 40908
179: ok 40909
179: ok 40910
179: ok 40911
179: ok 40912
179: ok 40913
179: ok 40914
179: ok 40915
179: ok 40916
179: ok 40917
179: ok 40918
179: ok 40919
179: ok 40920
179: ok 40921
179: ok 40922
179: ok 40923
179: ok 40924
179: ok 40925
179: ok 40926
179: ok 40927
179: ok 40928
179: ok 40929
179: ok 40930
179: ok 40931
179: ok 40932
179: ok 40933
179: ok 40934
179: ok 40935
179: ok 40936
179: ok 40937
179: ok 40938
179: ok 40939
179: ok 40940
179: ok 40941
179: ok 40942
179: ok 40943
179: ok 40944
179: ok 40945
179: ok 40946
179: ok 40947
179: ok 40948
179: ok 40949
179: ok 40950
179: ok 40951
179: ok 40952
179: ok 40953
179: ok 40954
179: ok 40955
179: ok 40956
179: ok 40957
179: ok 40958
179: ok 40959
179: ok 40960
179: ok 40961
179: ok 40962
179: ok 40963
179: ok 40964
179: ok 40965
179: ok 40966
179: ok 40967
179: ok 40968
179: ok 40969
179: ok 40970
179: ok 40971
179: ok 40972
179: ok 40973
179: ok 40974
179: ok 40975
179: ok 40976
179: ok 40977
179: ok 40978
179: ok 40979
179: ok 40980
179: ok 40981
179: ok 40982
179: ok 40983
179: ok 40984
179: ok 40985
179: ok 40986
179: ok 40987
179: ok 40988
179: ok 40989
179: ok 40990
179: ok 40991
179: ok 40992
179: ok 40993
179: ok 40994
179: ok 40995
179: ok 40996
179: ok 40997
179: ok 40998
179: ok 40999
179: ok 41000
179: ok 41001
179: ok 41002
179: ok 41003
179: ok 41004
179: ok 41005
179: ok 41006
179: ok 41007
179: ok 41008
179: ok 41009
179: ok 41010
179: ok 41011
179: ok 41012
179: ok 41013
179: ok 41014
179: ok 41015
179: ok 41016
179: ok 41017
179: ok 41018
179: ok 41019
179: ok 41020
179: ok 41021
179: ok 41022
179: ok 41023
179: ok 41024
179: ok 41025
179: ok 41026
179: ok 41027
179: ok 41028
179: ok 41029
179: ok 41030
179: ok 41031
179: ok 41032
179: ok 41033
179: ok 41034
179: ok 41035
179: ok 41036
179: ok 41037
179: ok 41038
179: ok 41039
179: ok 41040
179: ok 41041
179: ok 41042
179: ok 41043
179: ok 41044
179: ok 41045
179: ok 41046
179: ok 41047
179: ok 41048
179: ok 41049
179: ok 41050
179: ok 41051
179: ok 41052
179: ok 41053
179: ok 41054
179: ok 41055
179: ok 41056
179: ok 41057
179: ok 41058
179: ok 41059
179: ok 41060
179: ok 41061
179: ok 41062
179: ok 41063
179: ok 41064
179: ok 41065
179: ok 41066
179: ok 41067
179: ok 41068
179: ok 41069
179: ok 41070
179: ok 41071
179: ok 41072
179: ok 41073
179: ok 41074
179: ok 41075
179: ok 41076
179: ok 41077
179: ok 41078
179: ok 41079
179: ok 41080
179: ok 41081
179: ok 41082
179: ok 41083
179: ok 41084
179: ok 41085
179: ok 41086
179: ok 41087
179: ok 41088
179: ok 41089
179: ok 41090
179: ok 41091
179: ok 41092
179: ok 41093
179: ok 41094
179: ok 41095
179: ok 41096
179: ok 41097
179: ok 41098
179: ok 41099
179: ok 41100
179: ok 41101
179: ok 41102
179: ok 41103
179: ok 41104
179: ok 41105
179: ok 41106
179: ok 41107
179: ok 41108
179: ok 41109
179: ok 41110
179: ok 41111
179: ok 41112
179: ok 41113
179: ok 41114
179: ok 41115
179: ok 41116
179: ok 41117
179: ok 41118
179: ok 41119
179: ok 41120
179: ok 41121
179: ok 41122
179: ok 41123
179: ok 41124
179: ok 41125
179: ok 41126
179: ok 41127
179: ok 41128
179: ok 41129
179: ok 41130
179: ok 41131
179: ok 41132
179: ok 41133
179: ok 41134
179: ok 41135
179: ok 41136
179: ok 41137
179: ok 41138
179: ok 41139
179: ok 41140
179: ok 41141
179: ok 41142
179: ok 41143
179: ok 41144
179: ok 41145
179: ok 41146
179: ok 41147
179: ok 41148
179: ok 41149
179: ok 41150
179: ok 41151
179: ok 41152
179: ok 41153
179: ok 41154
179: ok 41155
179: ok 41156
179: ok 41157
179: ok 41158
179: ok 41159
179: ok 41160
179: ok 41161
179: ok 41162
179: ok 41163
179: ok 41164
179: ok 41165
179: ok 41166
179: ok 41167
179: ok 41168
179: ok 41169
179: ok 41170
179: ok 41171
179: ok 41172
179: ok 41173
179: ok 41174
179: ok 41175
179: ok 41176
179: ok 41177
179: ok 41178
179: ok 41179
179: ok 41180
179: ok 41181
179: ok 41182
179: ok 41183
179: ok 41184
179: ok 41185
179: ok 41186
179: ok 41187
179: ok 41188
179: ok 41189
179: ok 41190
179: ok 41191
179: ok 41192
179: ok 41193
179: ok 41194
179: ok 41195
179: ok 41196
179: ok 41197
179: ok 41198
179: ok 41199
179: ok 41200
179: ok 41201
179: ok 41202
179: ok 41203
179: ok 41204
179: ok 41205
179: ok 41206
179: ok 41207
179: ok 41208
179: ok 41209
179: ok 41210
179: ok 41211
179: ok 41212
179: ok 41213
179: ok 41214
179: ok 41215
179: ok 41216
179: ok 41217
179: ok 41218
179: ok 41219
179: ok 41220
179: ok 41221
179: ok 41222
179: ok 41223
179: ok 41224
179: ok 41225
179: ok 41226
179: ok 41227
179: ok 41228
179: ok 41229
179: ok 41230
179: ok 41231
179: ok 41232
179: ok 41233
179: ok 41234
179: ok 41235
179: ok 41236
179: ok 41237
179: ok 41238
179: ok 41239
179: ok 41240
179: ok 41241
179: ok 41242
179: ok 41243
179: ok 41244
179: ok 41245
179: ok 41246
179: ok 41247
179: ok 41248
179: ok 41249
179: ok 41250
179: ok 41251
179: ok 41252
179: ok 41253
179: ok 41254
179: ok 41255
179: ok 41256
179: ok 41257
179: ok 41258
179: ok 41259
179: ok 41260
179: ok 41261
179: ok 41262
179: ok 41263
179: ok 41264
179: ok 41265
179: ok 41266
179: ok 41267
179: ok 41268
179: ok 41269
179: ok 41270
179: ok 41271
179: ok 41272
179: ok 41273
179: ok 41274
179: ok 41275
179: ok 41276
179: ok 41277
179: ok 41278
179: ok 41279
179: ok 41280
179: ok 41281
179: ok 41282
179: ok 41283
179: ok 41284
179: ok 41285
179: ok 41286
179: ok 41287
179: ok 41288
179: ok 41289
179: ok 41290
179: ok 41291
179: ok 41292
179: ok 41293
179: ok 41294
179: ok 41295
179: ok 41296
179: ok 41297
179: ok 41298
179: ok 41299
179: ok 41300
179: ok 41301
179: ok 41302
179: ok 41303
179: ok 41304
179: ok 41305
179: ok 41306
179: ok 41307
179: ok 41308
179: ok 41309
179: ok 41310
179: ok 41311
179: ok 41312
179: ok 41313
179: ok 41314
179: ok 41315
179: ok 41316
179: ok 41317
179: ok 41318
179: ok 41319
179: ok 41320
179: ok 41321
179: ok 41322
179: ok 41323
179: ok 41324
179: ok 41325
179: ok 41326
179: ok 41327
179: ok 41328
179: ok 41329
179: ok 41330
179: ok 41331
179: ok 41332
179: ok 41333
179: ok 41334
179: ok 41335
179: ok 41336
179: ok 41337
179: ok 41338
179: ok 41339
179: ok 41340
179: ok 41341
179: ok 41342
179: ok 41343
179: ok 41344
179: ok 41345
179: ok 41346
179: ok 41347
179: ok 41348
179: ok 41349
179: ok 41350
179: ok 41351
179: ok 41352
179: ok 41353
179: ok 41354
179: ok 41355
179: ok 41356
179: ok 41357
179: ok 41358
179: ok 41359
179: ok 41360
179: ok 41361
179: ok 41362
179: ok 41363
179: ok 41364
179: ok 41365
179: ok 41366
179: ok 41367
179: ok 41368
179: ok 41369
179: ok 41370
179: ok 41371
179: ok 41372
179: ok 41373
179: ok 41374
179: ok 41375
179: ok 41376
179: ok 41377
179: ok 41378
179: ok 41379
179: ok 41380
179: ok 41381
179: ok 41382
179: ok 41383
179: ok 41384
179: ok 41385
179: ok 41386
179: ok 41387
179: ok 41388
179: ok 41389
179: ok 41390
179: ok 41391
179: ok 41392
179: ok 41393
179: ok 41394
179: ok 41395
179: ok 41396
179: ok 41397
179: ok 41398
179: ok 41399
179: ok 41400
179: ok 41401
179: ok 41402
179: ok 41403
179: ok 41404
179: ok 41405
179: ok 41406
179: ok 41407
179: ok 41408
179: ok 41409
179: ok 41410
179: ok 41411
179: ok 41412
179: ok 41413
179: ok 41414
179: ok 41415
179: ok 41416
179: ok 41417
179: ok 41418
179: ok 41419
179: ok 41420
179: ok 41421
179: ok 41422
179: ok 41423
179: ok 41424
179: ok 41425
179: ok 41426
179: ok 41427
179: ok 41428
179: ok 41429
179: ok 41430
179: ok 41431
179: ok 41432
179: ok 41433
179: ok 41434
179: ok 41435
179: ok 41436
179: ok 41437
179: ok 41438
179: ok 41439
179: ok 41440
179: ok 41441
179: ok 41442
179: ok 41443
179: ok 41444
179: ok 41445
179: ok 41446
179: ok 41447
179: ok 41448
179: ok 41449
179: ok 41450
179: ok 41451
179: ok 41452
179: ok 41453
179: ok 41454
179: ok 41455
179: ok 41456
179: ok 41457
179: ok 41458
179: ok 41459
179: ok 41460
179: ok 41461
179: ok 41462
179: ok 41463
179: ok 41464
179: ok 41465
179: ok 41466
179: ok 41467
179: ok 41468
179: ok 41469
179: ok 41470
179: ok 41471
179: ok 41472
179: ok 41473
179: ok 41474
179: ok 41475
179: ok 41476
179: ok 41477
179: ok 41478
179: ok 41479
179: ok 41480
179: ok 41481
179: ok 41482
179: ok 41483
179: ok 41484
179: ok 41485
179: ok 41486
179: ok 41487
179: ok 41488
179: ok 41489
179: ok 41490
179: ok 41491
179: ok 41492
179: ok 41493
179: ok 41494
179: ok 41495
179: ok 41496
179: ok 41497
179: ok 41498
179: ok 41499
179: ok 41500
179: ok 41501
179: ok 41502
179: ok 41503
179: ok 41504
179: ok 41505
179: ok 41506
179: ok 41507
179: ok 41508
179: ok 41509
179: ok 41510
179: ok 41511
179: ok 41512
179: ok 41513
179: ok 41514
179: ok 41515
179: ok 41516
179: ok 41517
179: ok 41518
179: ok 41519
179: ok 41520
179: ok 41521
179: ok 41522
179: ok 41523
179: ok 41524
179: ok 41525
179: ok 41526
179: ok 41527
179: ok 41528
179: ok 41529
179: ok 41530
179: ok 41531
179: ok 41532
179: ok 41533
179: ok 41534
179: ok 41535
179: ok 41536
179: ok 41537
179: ok 41538
179: ok 41539
179: ok 41540
179: ok 41541
179: ok 41542
179: ok 41543
179: ok 41544
179: ok 41545
179: ok 41546
179: ok 41547
179: ok 41548
179: ok 41549
179: ok 41550
179: ok 41551
179: ok 41552
179: ok 41553
179: ok 41554
179: ok 41555
179: ok 41556
179: ok 41557
179: ok 41558
179: ok 41559
179: ok 41560
179: ok 41561
179: ok 41562
179: ok 41563
179: ok 41564
179: ok 41565
179: ok 41566
179: ok 41567
179: ok 41568
179: ok 41569
179: ok 41570
179: ok 41571
179: ok 41572
179: ok 41573
179: ok 41574
179: ok 41575
179: ok 41576
179: ok 41577
179: ok 41578
179: ok 41579
179: ok 41580
179: ok 41581
179: ok 41582
179: ok 41583
179: ok 41584
179: ok 41585
179: ok 41586
179: ok 41587
179: ok 41588
179: ok 41589
179: ok 41590
179: ok 41591
179: ok 41592
179: ok 41593
179: ok 41594
179: ok 41595
179: ok 41596
179: ok 41597
179: ok 41598
179: ok 41599
179: ok 41600
179: ok 41601
179: ok 41602
179: ok 41603
179: ok 41604
179: ok 41605
179: ok 41606
179: ok 41607
179: ok 41608
179: ok 41609
179: ok 41610
179: ok 41611
179: ok 41612
179: ok 41613
179: ok 41614
179: ok 41615
179: ok 41616
179: ok 41617
179: ok 41618
179: ok 41619
179: ok 41620
179: ok 41621
179: ok 41622
179: ok 41623
179: ok 41624
179: ok 41625
179: ok 41626
179: ok 41627
179: ok 41628
179: ok 41629
179: ok 41630
179: ok 41631
179: ok 41632
179: ok 41633
179: ok 41634
179: ok 41635
179: ok 41636
179: ok 41637
179: ok 41638
179: ok 41639
179: ok 41640
179: ok 41641
179: ok 41642
179: ok 41643
179: ok 41644
179: ok 41645
179: ok 41646
179: ok 41647
179: ok 41648
179: ok 41649
179: ok 41650
179: ok 41651
179: ok 41652
179: ok 41653
179: ok 41654
179: ok 41655
179: ok 41656
179: ok 41657
179: ok 41658
179: ok 41659
179: ok 41660
179: ok 41661
179: ok 41662
179: ok 41663
179: ok 41664
179: ok 41665
179: ok 41666
179: ok 41667
179: ok 41668
179: ok 41669
179: ok 41670
179: ok 41671
179: ok 41672
179: ok 41673
179: ok 41674
179: ok 41675
179: ok 41676
179: ok 41677
179: ok 41678
179: ok 41679
179: ok 41680
179: ok 41681
179: ok 41682
179: ok 41683
179: ok 41684
179: ok 41685
179: ok 41686
179: ok 41687
179: ok 41688
179: ok 41689
179: ok 41690
179: ok 41691
179: ok 41692
179: ok 41693
179: ok 41694
179: ok 41695
179: ok 41696
179: ok 41697
179: ok 41698
179: ok 41699
179: ok 41700
179: ok 41701
179: ok 41702
179: ok 41703
179: ok 41704
179: ok 41705
179: ok 41706
179: ok 41707
179: ok 41708
179: ok 41709
179: ok 41710
179: ok 41711
179: ok 41712
179: ok 41713
179: ok 41714
179: ok 41715
179: ok 41716
179: ok 41717
179: ok 41718
179: ok 41719
179: ok 41720
179: ok 41721
179: ok 41722
179: ok 41723
179: ok 41724
179: ok 41725
179: ok 41726
179: ok 41727
179: ok 41728
179: ok 41729
179: ok 41730
179: ok 41731
179: ok 41732
179: ok 41733
179: ok 41734
179: ok 41735
179: ok 41736
179: ok 41737
179: ok 41738
179: ok 41739
179: ok 41740
179: ok 41741
179: ok 41742
179: ok 41743
179: ok 41744
179: ok 41745
179: ok 41746
179: ok 41747
179: ok 41748
179: ok 41749
179: ok 41750
179: ok 41751
179: ok 41752
179: ok 41753
179: ok 41754
179: ok 41755
179: ok 41756
179: ok 41757
179: ok 41758
179: ok 41759
179: ok 41760
179: ok 41761
179: ok 41762
179: ok 41763
179: ok 41764
179: ok 41765
179: ok 41766
179: ok 41767
179: ok 41768
179: ok 41769
179: ok 41770
179: ok 41771
179: ok 41772
179: ok 41773
179: ok 41774
179: ok 41775
179: ok 41776
179: ok 41777
179: ok 41778
179: ok 41779
179: ok 41780
179: ok 41781
179: ok 41782
179: ok 41783
179: ok 41784
179: ok 41785
179: ok 41786
179: ok 41787
179: ok 41788
179: ok 41789
179: ok 41790
179: ok 41791
179: ok 41792
179: ok 41793
179: ok 41794
179: ok 41795
179: ok 41796
179: ok 41797
179: ok 41798
179: ok 41799
179: ok 41800
179: ok 41801
179: ok 41802
179: ok 41803
179: ok 41804
179: ok 41805
179: ok 41806
179: ok 41807
179: ok 41808
179: ok 41809
179: ok 41810
179: ok 41811
179: ok 41812
179: ok 41813
179: ok 41814
179: ok 41815
179: ok 41816
179: ok 41817
179: ok 41818
179: ok 41819
179: ok 41820
179: ok 41821
179: ok 41822
179: ok 41823
179: ok 41824
179: ok 41825
179: ok 41826
179: ok 41827
179: ok 41828
179: ok 41829
179: ok 41830
179: ok 41831
179: ok 41832
179: ok 41833
179: ok 41834
179: ok 41835
179: ok 41836
179: ok 41837
179: ok 41838
179: ok 41839
179: ok 41840
179: ok 41841
179: ok 41842
179: ok 41843
179: ok 41844
179: ok 41845
179: ok 41846
179: ok 41847
179: ok 41848
179: ok 41849
179: ok 41850
179: ok 41851
179: ok 41852
179: ok 41853
179: ok 41854
179: ok 41855
179: ok 41856
179: ok 41857
179: ok 41858
179: ok 41859
179: ok 41860
179: ok 41861
179: ok 41862
179: ok 41863
179: ok 41864
179: ok 41865
179: ok 41866
179: ok 41867
179: ok 41868
179: ok 41869
179: ok 41870
179: ok 41871
179: ok 41872
179: ok 41873
179: ok 41874
179: ok 41875
179: ok 41876
179: ok 41877
179: ok 41878
179: ok 41879
179: ok 41880
179: ok 41881
179: ok 41882
179: ok 41883
179: ok 41884
179: ok 41885
179: ok 41886
179: ok 41887
179: ok 41888
179: ok 41889
179: ok 41890
179: ok 41891
179: ok 41892
179: ok 41893
179: ok 41894
179: ok 41895
179: ok 41896
179: ok 41897
179: ok 41898
179: ok 41899
179: ok 41900
179: ok 41901
179: ok 41902
179: ok 41903
179: ok 41904
179: ok 41905
179: ok 41906
179: ok 41907
179: ok 41908
179: ok 41909
179: ok 41910
179: ok 41911
179: ok 41912
179: ok 41913
179: ok 41914
179: ok 41915
179: ok 41916
179: ok 41917
179: ok 41918
179: ok 41919
179: ok 41920
179: ok 41921
179: ok 41922
179: ok 41923
179: ok 41924
179: ok 41925
179: ok 41926
179: ok 41927
179: ok 41928
179: ok 41929
179: ok 41930
179: ok 41931
179: ok 41932
179: ok 41933
179: ok 41934
179: ok 41935
179: ok 41936
179: ok 41937
179: ok 41938
179: ok 41939
179: ok 41940
179: ok 41941
179: ok 41942
179: ok 41943
179: ok 41944
179: ok 41945
179: ok 41946
179: ok 41947
179: ok 41948
179: ok 41949
179: ok 41950
179: ok 41951
179: ok 41952
179: ok 41953
179: ok 41954
179: ok 41955
179: ok 41956
179: ok 41957
179: ok 41958
179: ok 41959
179: ok 41960
179: ok 41961
179: ok 41962
179: ok 41963
179: ok 41964
179: ok 41965
179: ok 41966
179: ok 41967
179: ok 41968
179: ok 41969
179: ok 41970
179: ok 41971
179: ok 41972
179: ok 41973
179: ok 41974
179: ok 41975
179: ok 41976
179: ok 41977
179: ok 41978
179: ok 41979
179: ok 41980
179: ok 41981
179: ok 41982
179: ok 41983
179: ok 41984
179: ok 41985
179: ok 41986
179: ok 41987
179: ok 41988
179: ok 41989
179: ok 41990
179: ok 41991
179: ok 41992
179: ok 41993
179: ok 41994
179: ok 41995
179: ok 41996
179: ok 41997
179: ok 41998
179: ok 41999
179: ok 42000
179: ok 42001
179: ok 42002
179: ok 42003
179: ok 42004
179: ok 42005
179: ok 42006
179: ok 42007
179: ok 42008
179: ok 42009
179: ok 42010
179: ok 42011
179: ok 42012
179: ok 42013
179: ok 42014
179: ok 42015
179: ok 42016
179: ok 42017
179: ok 42018
179: ok 42019
179: ok 42020
179: ok 42021
179: ok 42022
179: ok 42023
179: ok 42024
179: ok 42025
179: ok 42026
179: ok 42027
179: ok 42028
179: ok 42029
179: ok 42030
179: ok 42031
179: ok 42032
179: ok 42033
179: ok 42034
179: ok 42035
179: ok 42036
179: ok 42037
179: ok 42038
179: ok 42039
179: ok 42040
179: ok 42041
179: ok 42042
179: ok 42043
179: ok 42044
179: ok 42045
179: ok 42046
179: ok 42047
179: ok 42048
179: ok 42049
179: ok 42050
179: ok 42051
179: ok 42052
179: ok 42053
179: ok 42054
179: ok 42055
179: ok 42056
179: ok 42057
179: ok 42058
179: ok 42059
179: ok 42060
179: ok 42061
179: ok 42062
179: ok 42063
179: ok 42064
179: ok 42065
179: ok 42066
179: ok 42067
179: ok 42068
179: ok 42069
179: ok 42070
179: ok 42071
179: ok 42072
179: ok 42073
179: ok 42074
179: ok 42075
179: ok 42076
179: ok 42077
179: ok 42078
179: ok 42079
179: ok 42080
179: ok 42081
179: ok 42082
179: ok 42083
179: ok 42084
179: ok 42085
179: ok 42086
179: ok 42087
179: ok 42088
179: ok 42089
179: ok 42090
179: ok 42091
179: ok 42092
179: ok 42093
179: ok 42094
179: ok 42095
179: ok 42096
179: ok 42097
179: ok 42098
179: ok 42099
179: ok 42100
179: ok 42101
179: ok 42102
179: ok 42103
179: ok 42104
179: ok 42105
179: ok 42106
179: ok 42107
179: ok 42108
179: ok 42109
179: ok 42110
179: ok 42111
179: ok 42112
179: ok 42113
179: ok 42114
179: ok 42115
179: ok 42116
179: ok 42117
179: ok 42118
179: ok 42119
179: ok 42120
179: ok 42121
179: ok 42122
179: ok 42123
179: ok 42124
179: ok 42125
179: ok 42126
179: ok 42127
179: ok 42128
179: ok 42129
179: ok 42130
179: ok 42131
179: ok 42132
179: ok 42133
179: ok 42134
179: ok 42135
179: ok 42136
179: ok 42137
179: ok 42138
179: ok 42139
179: ok 42140
179: ok 42141
179: ok 42142
179: ok 42143
179: ok 42144
179: ok 42145
179: ok 42146
179: ok 42147
179: ok 42148
179: ok 42149
179: ok 42150
179: ok 42151
179: ok 42152
179: ok 42153
179: ok 42154
179: ok 42155
179: ok 42156
179: ok 42157
179: ok 42158
179: ok 42159
179: ok 42160
179: ok 42161
179: ok 42162
179: ok 42163
179: ok 42164
179: ok 42165
179: ok 42166
179: ok 42167
179: ok 42168
179: ok 42169
179: ok 42170
179: ok 42171
179: ok 42172
179: ok 42173
179: ok 42174
179: ok 42175
179: ok 42176
179: ok 42177
179: ok 42178
179: ok 42179
179: ok 42180
179: ok 42181
179: ok 42182
179: ok 42183
179: ok 42184
179: ok 42185
179: ok 42186
179: ok 42187
179: ok 42188
179: ok 42189
179: ok 42190
179: ok 42191
179: ok 42192
179: ok 42193
179: ok 42194
179: ok 42195
179: ok 42196
179: ok 42197
179: ok 42198
179: ok 42199
179: ok 42200
179: ok 42201
179: ok 42202
179: ok 42203
179: ok 42204
179: ok 42205
179: ok 42206
179: ok 42207
179: ok 42208
179: ok 42209
179: ok 42210
179: ok 42211
179: ok 42212
179: ok 42213
179: ok 42214
179: ok 42215
179: ok 42216
179: ok 42217
179: ok 42218
179: ok 42219
179: ok 42220
179: ok 42221
179: ok 42222
179: ok 42223
179: ok 42224
179: ok 42225
179: ok 42226
179: ok 42227
179: ok 42228
179: ok 42229
179: ok 42230
179: ok 42231
179: ok 42232
179: ok 42233
179: ok 42234
179: ok 42235
179: ok 42236
179: ok 42237
179: ok 42238
179: ok 42239
179: ok 42240
179: ok 42241
179: ok 42242
179: ok 42243
179: ok 42244
179: ok 42245
179: ok 42246
179: ok 42247
179: ok 42248
179: ok 42249
179: ok 42250
179: ok 42251
179: ok 42252
179: ok 42253
179: ok 42254
179: ok 42255
179: ok 42256
179: ok 42257
179: ok 42258
179: ok 42259
179: ok 42260
179: ok 42261
179: ok 42262
179: ok 42263
179: ok 42264
179: ok 42265
179: ok 42266
179: ok 42267
179: ok 42268
179: ok 42269
179: ok 42270
179: ok 42271
179: ok 42272
179: ok 42273
179: ok 42274
179: ok 42275
179: ok 42276
179: ok 42277
179: ok 42278
179: ok 42279
179: ok 42280
179: ok 42281
179: ok 42282
179: ok 42283
179: ok 42284
179: ok 42285
179: ok 42286
179: ok 42287
179: ok 42288
179: ok 42289
179: ok 42290
179: ok 42291
179: ok 42292
179: ok 42293
179: ok 42294
179: ok 42295
179: ok 42296
179: ok 42297
179: ok 42298
179: ok 42299
179: ok 42300
179: ok 42301
179: ok 42302
179: ok 42303
179: ok 42304
179: ok 42305
179: ok 42306
179: ok 42307
179: ok 42308
179: ok 42309
179: ok 42310
179: ok 42311
179: ok 42312
179: ok 42313
179: ok 42314
179: ok 42315
179: ok 42316
179: ok 42317
179: ok 42318
179: ok 42319
179: ok 42320
179: ok 42321
179: ok 42322
179: ok 42323
179: ok 42324
179: ok 42325
179: ok 42326
179: ok 42327
179: ok 42328
179: ok 42329
179: ok 42330
179: ok 42331
179: ok 42332
179: ok 42333
179: ok 42334
179: ok 42335
179: ok 42336
179: ok 42337
179: ok 42338
179: ok 42339
179: ok 42340
179: ok 42341
179: ok 42342
179: ok 42343
179: ok 42344
179: ok 42345
179: ok 42346
179: ok 42347
179: ok 42348
179: ok 42349
179: ok 42350
179: ok 42351
179: ok 42352
179: ok 42353
179: ok 42354
179: ok 42355
179: ok 42356
179: ok 42357
179: ok 42358
179: ok 42359
179: ok 42360
179: ok 42361
179: ok 42362
179: ok 42363
179: ok 42364
179: ok 42365
179: ok 42366
179: ok 42367
179: ok 42368
179: ok 42369
179: ok 42370
179: ok 42371
179: ok 42372
179: ok 42373
179: ok 42374
179: ok 42375
179: ok 42376
179: ok 42377
179: ok 42378
179: ok 42379
179: ok 42380
179: ok 42381
179: ok 42382
179: ok 42383
179: ok 42384
179: ok 42385
179: ok 42386
179: ok 42387
179: ok 42388
179: ok 42389
179: ok 42390
179: ok 42391
179: ok 42392
179: ok 42393
179: ok 42394
179: ok 42395
179: ok 42396
179: ok 42397
179: ok 42398
179: ok 42399
179: ok 42400
179: ok 42401
179: ok 42402
179: ok 42403
179: ok 42404
179: ok 42405
179: ok 42406
179: ok 42407
179: ok 42408
179: ok 42409
179: ok 42410
179: ok 42411
179: ok 42412
179: ok 42413
179: ok 42414
179: ok 42415
179: ok 42416
179: ok 42417
179: ok 42418
179: ok 42419
179: ok 42420
179: ok 42421
179: ok 42422
179: ok 42423
179: ok 42424
179: ok 42425
179: ok 42426
179: ok 42427
179: ok 42428
179: ok 42429
179: ok 42430
179: ok 42431
179: ok 42432
179: ok 42433
179: ok 42434
179: ok 42435
179: ok 42436
179: ok 42437
179: ok 42438
179: ok 42439
179: ok 42440
179: ok 42441
179: ok 42442
179: ok 42443
179: ok 42444
179: ok 42445
179: ok 42446
179: ok 42447
179: ok 42448
179: ok 42449
179: ok 42450
179: ok 42451
179: ok 42452
179: ok 42453
179: ok 42454
179: ok 42455
179: ok 42456
179: ok 42457
179: ok 42458
179: ok 42459
179: ok 42460
179: ok 42461
179: ok 42462
179: ok 42463
179: ok 42464
179: ok 42465
179: ok 42466
179: ok 42467
179: ok 42468
179: ok 42469
179: ok 42470
179: ok 42471
179: ok 42472
179: ok 42473
179: ok 42474
179: ok 42475
179: ok 42476
179: ok 42477
179: ok 42478
179: ok 42479
179: ok 42480
179: ok 42481
179: ok 42482
179: ok 42483
179: ok 42484
179: ok 42485
179: ok 42486
179: ok 42487
179: ok 42488
179: ok 42489
179: ok 42490
179: ok 42491
179: ok 42492
179: ok 42493
179: ok 42494
179: ok 42495
179: ok 42496
179: ok 42497
179: ok 42498
179: ok 42499
179: ok 42500
179: ok 42501
179: ok 42502
179: ok 42503
179: ok 42504
179: ok 42505
179: ok 42506
179: ok 42507
179: ok 42508
179: ok 42509
179: ok 42510
179: ok 42511
179: ok 42512
179: ok 42513
179: ok 42514
179: ok 42515
179: ok 42516
179: ok 42517
179: ok 42518
179: ok 42519
179: ok 42520
179: ok 42521
179: ok 42522
179: ok 42523
179: ok 42524
179: ok 42525
179: ok 42526
179: ok 42527
179: ok 42528
179: ok 42529
179: ok 42530
179: ok 42531
179: ok 42532
179: ok 42533
179: ok 42534
179: ok 42535
179: ok 42536
179: ok 42537
179: ok 42538
179: ok 42539
179: ok 42540
179: ok 42541
179: ok 42542
179: ok 42543
179: ok 42544
179: ok 42545
179: ok 42546
179: ok 42547
179: ok 42548
179: ok 42549
179: ok 42550
179: ok 42551
179: ok 42552
179: ok 42553
179: ok 42554
179: ok 42555
179: ok 42556
179: ok 42557
179: ok 42558
179: ok 42559
179: ok 42560
179: ok 42561
179: ok 42562
179: ok 42563
179: ok 42564
179: ok 42565
179: ok 42566
179: ok 42567
179: ok 42568
179: ok 42569
179: ok 42570
179: ok 42571
179: ok 42572
179: ok 42573
179: ok 42574
179: ok 42575
179: ok 42576
179: ok 42577
179: ok 42578
179: ok 42579
179: ok 42580
179: ok 42581
179: ok 42582
179: ok 42583
179: ok 42584
179: ok 42585
179: ok 42586
179: ok 42587
179: ok 42588
179: ok 42589
179: ok 42590
179: ok 42591
179: ok 42592
179: ok 42593
179: ok 42594
179: ok 42595
179: ok 42596
179: ok 42597
179: ok 42598
179: ok 42599
179: ok 42600
179: ok 42601
179: ok 42602
179: ok 42603
179: ok 42604
179: ok 42605
179: ok 42606
179: ok 42607
179: ok 42608
179: ok 42609
179: ok 42610
179: ok 42611
179: ok 42612
179: ok 42613
179: ok 42614
179: ok 42615
179: ok 42616
179: ok 42617
179: ok 42618
179: ok 42619
179: ok 42620
179: ok 42621
179: ok 42622
179: ok 42623
179: ok 42624
179: ok 42625
179: ok 42626
179: ok 42627
179: ok 42628
179: ok 42629
179: ok 42630
179: ok 42631
179: ok 42632
179: ok 42633
179: ok 42634
179: ok 42635
179: ok 42636
179: ok 42637
179: ok 42638
179: ok 42639
179: ok 42640
179: ok 42641
179: ok 42642
179: ok 42643
179: ok 42644
179: ok 42645
179: ok 42646
179: ok 42647
179: ok 42648
179: ok 42649
179: ok 42650
179: ok 42651
179: ok 42652
179: ok 42653
179: ok 42654
179: ok 42655
179: ok 42656
179: ok 42657
179: ok 42658
179: ok 42659
179: ok 42660
179: ok 42661
179: ok 42662
179: ok 42663
179: ok 42664
179: ok 42665
179: ok 42666
179: ok 42667
179: ok 42668
179: ok 42669
179: ok 42670
179: ok 42671
179: ok 42672
179: ok 42673
179: ok 42674
179: ok 42675
179: ok 42676
179: ok 42677
179: ok 42678
179: ok 42679
179: ok 42680
179: ok 42681
179: ok 42682
179: ok 42683
179: ok 42684
179: ok 42685
179: ok 42686
179: ok 42687
179: ok 42688
179: ok 42689
179: ok 42690
179: ok 42691
179: ok 42692
179: ok 42693
179: ok 42694
179: ok 42695
179: ok 42696
179: ok 42697
179: ok 42698
179: ok 42699
179: ok 42700
179: ok 42701
179: ok 42702
179: ok 42703
179: ok 42704
179: ok 42705
179: ok 42706
179: ok 42707
179: ok 42708
179: ok 42709
179: ok 42710
179: ok 42711
179: ok 42712
179: ok 42713
179: ok 42714
179: ok 42715
179: ok 42716
179: ok 42717
179: ok 42718
179: ok 42719
179: ok 42720
179: ok 42721
179: ok 42722
179: ok 42723
179: ok 42724
179: ok 42725
179: ok 42726
179: ok 42727
179: ok 42728
179: ok 42729
179: ok 42730
179: ok 42731
179: ok 42732
179: ok 42733
179: ok 42734
179: ok 42735
179: ok 42736
179: ok 42737
179: ok 42738
179: ok 42739
179: ok 42740
179: ok 42741
179: ok 42742
179: ok 42743
179: ok 42744
179: ok 42745
179: ok 42746
179: ok 42747
179: ok 42748
179: ok 42749
179: ok 42750
179: ok 42751
179: ok 42752
179: ok 42753
179: ok 42754
179: ok 42755
179: ok 42756
179: ok 42757
179: ok 42758
179: ok 42759
179: ok 42760
179: ok 42761
179: ok 42762
179: ok 42763
179: ok 42764
179: ok 42765
179: ok 42766
179: ok 42767
179: ok 42768
179: ok 42769
179: ok 42770
179: ok 42771
179: ok 42772
179: ok 42773
179: ok 42774
179: ok 42775
179: ok 42776
179: ok 42777
179: ok 42778
179: ok 42779
179: ok 42780
179: ok 42781
179: ok 42782
179: ok 42783
179: ok 42784
179: ok 42785
179: ok 42786
179: ok 42787
179: ok 42788
179: ok 42789
179: ok 42790
179: ok 42791
179: ok 42792
179: ok 42793
179: ok 42794
179: ok 42795
179: ok 42796
179: ok 42797
179: ok 42798
179: ok 42799
179: ok 42800
179: ok 42801
179: ok 42802
179: ok 42803
179: ok 42804
179: ok 42805
179: ok 42806
179: ok 42807
179: ok 42808
179: ok 42809
179: ok 42810
179: ok 42811
179: ok 42812
179: ok 42813
179: ok 42814
179: ok 42815
179: ok 42816
179: ok 42817
179: ok 42818
179: ok 42819
179: ok 42820
179: ok 42821
179: ok 42822
179: ok 42823
179: ok 42824
179: ok 42825
179: ok 42826
179: ok 42827
179: ok 42828
179: ok 42829
179: ok 42830
179: ok 42831
179: ok 42832
179: ok 42833
179: ok 42834
179: ok 42835
179: ok 42836
179: ok 42837
179: ok 42838
179: ok 42839
179: ok 42840
179: ok 42841
179: ok 42842
179: ok 42843
179: ok 42844
179: ok 42845
179: ok 42846
179: ok 42847
179: ok 42848
179: ok 42849
179: ok 42850
179: ok 42851
179: ok 42852
179: ok 42853
179: ok 42854
179: ok 42855
179: ok 42856
179: ok 42857
179: ok 42858
179: ok 42859
179: ok 42860
179: ok 42861
179: ok 42862
179: ok 42863
179: ok 42864
179: ok 42865
179: ok 42866
179: ok 42867
179: ok 42868
179: ok 42869
179: ok 42870
179: ok 42871
179: ok 42872
179: ok 42873
179: ok 42874
179: ok 42875
179: ok 42876
179: ok 42877
179: ok 42878
179: ok 42879
179: ok 42880
179: ok 42881
179: ok 42882
179: ok 42883
179: ok 42884
179: ok 42885
179: ok 42886
179: ok 42887
179: ok 42888
179: ok 42889
179: ok 42890
179: ok 42891
179: ok 42892
179: ok 42893
179: ok 42894
179: ok 42895
179: ok 42896
179: ok 42897
179: ok 42898
179: ok 42899
179: ok 42900
179: ok 42901
179: ok 42902
179: ok 42903
179: ok 42904
179: ok 42905
179: ok 42906
179: ok 42907
179: ok 42908
179: ok 42909
179: ok 42910
179: ok 42911
179: ok 42912
179: ok 42913
179: ok 42914
179: ok 42915
179: ok 42916
179: ok 42917
179: ok 42918
179: ok 42919
179: ok 42920
179: ok 42921
179: ok 42922
179: ok 42923
179: ok 42924
179: ok 42925
179: ok 42926
179: ok 42927
179: ok 42928
179: ok 42929
179: ok 42930
179: ok 42931
179: ok 42932
179: ok 42933
179: ok 42934
179: ok 42935
179: ok 42936
179: ok 42937
179: ok 42938
179: ok 42939
179: ok 42940
179: ok 42941
179: ok 42942
179: ok 42943
179: ok 42944
179: ok 42945
179: ok 42946
179: ok 42947
179: ok 42948
179: ok 42949
179: ok 42950
179: ok 42951
179: ok 42952
179: ok 42953
179: ok 42954
179: ok 42955
179: ok 42956
179: ok 42957
179: ok 42958
179: ok 42959
179: ok 42960
179: ok 42961
179: ok 42962
179: ok 42963
179: ok 42964
179: ok 42965
179: ok 42966
179: ok 42967
179: ok 42968
179: ok 42969
179: ok 42970
179: ok 42971
179: ok 42972
179: ok 42973
179: ok 42974
179: ok 42975
179: ok 42976
179: ok 42977
179: ok 42978
179: ok 42979
179: ok 42980
179: ok 42981
179: ok 42982
179: ok 42983
179: ok 42984
179: ok 42985
179: ok 42986
179: ok 42987
179: ok 42988
179: ok 42989
179: ok 42990
179: ok 42991
179: ok 42992
179: ok 42993
179: ok 42994
179: ok 42995
179: ok 42996
179: ok 42997
179: ok 42998
179: ok 42999
179: ok 43000
179: ok 43001
179: ok 43002
179: ok 43003
179: ok 43004
179: ok 43005
179: ok 43006
179: ok 43007
179: ok 43008
179: ok 43009
179: ok 43010
179: ok 43011
179: ok 43012
179: ok 43013
179: ok 43014
179: ok 43015
179: ok 43016
179: ok 43017
179: ok 43018
179: ok 43019
179: ok 43020
179: ok 43021
179: ok 43022
179: ok 43023
179: ok 43024
179: ok 43025
179: ok 43026
179: ok 43027
179: ok 43028
179: ok 43029
179: ok 43030
179: ok 43031
179: ok 43032
179: ok 43033
179: ok 43034
179: ok 43035
179: ok 43036
179: ok 43037
179: ok 43038
179: ok 43039
179: ok 43040
179: ok 43041
179: ok 43042
179: ok 43043
179: ok 43044
179: ok 43045
179: ok 43046
179: ok 43047
179: ok 43048
179: ok 43049
179: ok 43050
179: ok 43051
179: ok 43052
179: ok 43053
179: ok 43054
179: ok 43055
179: ok 43056
179: ok 43057
179: ok 43058
179: ok 43059
179: ok 43060
179: ok 43061
179: ok 43062
179: ok 43063
179: ok 43064
179: ok 43065
179: ok 43066
179: ok 43067
179: ok 43068
179: ok 43069
179: ok 43070
179: ok 43071
179: ok 43072
179: ok 43073
179: ok 43074
179: ok 43075
179: ok 43076
179: ok 43077
179: ok 43078
179: ok 43079
179: ok 43080
179: ok 43081
179: ok 43082
179: ok 43083
179: ok 43084
179: ok 43085
179: ok 43086
179: ok 43087
179: ok 43088
179: ok 43089
179: ok 43090
179: ok 43091
179: ok 43092
179: ok 43093
179: ok 43094
179: ok 43095
179: ok 43096
179: ok 43097
179: ok 43098
179: ok 43099
179: ok 43100
179: ok 43101
179: ok 43102
179: ok 43103
179: ok 43104
179: ok 43105
179: ok 43106
179: ok 43107
179: ok 43108
179: ok 43109
179: ok 43110
179: ok 43111
179: ok 43112
179: ok 43113
179: ok 43114
179: ok 43115
179: ok 43116
179: ok 43117
179: ok 43118
179: ok 43119
179: ok 43120
179: ok 43121
179: ok 43122
179: ok 43123
179: ok 43124
179: ok 43125
179: ok 43126
179: ok 43127
179: ok 43128
179: ok 43129
179: ok 43130
179: ok 43131
179: ok 43132
179: ok 43133
179: ok 43134
179: ok 43135
179: ok 43136
179: ok 43137
179: ok 43138
179: ok 43139
179: ok 43140
179: ok 43141
179: ok 43142
179: ok 43143
179: ok 43144
179: ok 43145
179: ok 43146
179: ok 43147
179: ok 43148
179: ok 43149
179: ok 43150
179: ok 43151
179: ok 43152
179: ok 43153
179: ok 43154
179: ok 43155
179: ok 43156
179: ok 43157
179: ok 43158
179: ok 43159
179: ok 43160
179: ok 43161
179: ok 43162
179: ok 43163
179: ok 43164
179: ok 43165
179: ok 43166
179: ok 43167
179: ok 43168
179: ok 43169
179: ok 43170
179: ok 43171
179: ok 43172
179: ok 43173
179: ok 43174
179: ok 43175
179: ok 43176
179: ok 43177
179: ok 43178
179: ok 43179
179: ok 43180
179: ok 43181
179: ok 43182
179: ok 43183
179: ok 43184
179: ok 43185
179: ok 43186
179: ok 43187
179: ok 43188
179: ok 43189
179: ok 43190
179: ok 43191
179: ok 43192
179: ok 43193
179: ok 43194
179: ok 43195
179: ok 43196
179: ok 43197
179: ok 43198
179: ok 43199
179: ok 43200
179: ok 43201
179: ok 43202
179: ok 43203
179: ok 43204
179: ok 43205
179: ok 43206
179: ok 43207
179: ok 43208
179: ok 43209
179: ok 43210
179: ok 43211
179: ok 43212
179: ok 43213
179: ok 43214
179: ok 43215
179: ok 43216
179: ok 43217
179: ok 43218
179: ok 43219
179: ok 43220
179: ok 43221
179: ok 43222
179: ok 43223
179: ok 43224
179: ok 43225
179: ok 43226
179: ok 43227
179: ok 43228
179: ok 43229
179: ok 43230
179: ok 43231
179: ok 43232
179: ok 43233
179: ok 43234
179: ok 43235
179: ok 43236
179: ok 43237
179: ok 43238
179: ok 43239
179: ok 43240
179: ok 43241
179: ok 43242
179: ok 43243
179: ok 43244
179: ok 43245
179: ok 43246
179: ok 43247
179: ok 43248
179: ok 43249
179: ok 43250
179: ok 43251
179: ok 43252
179: ok 43253
179: ok 43254
179: ok 43255
179: ok 43256
179: ok 43257
179: ok 43258
179: ok 43259
179: ok 43260
179: ok 43261
179: ok 43262
179: ok 43263
179: ok 43264
179: ok 43265
179: ok 43266
179: ok 43267
179: ok 43268
179: ok 43269
179: ok 43270
179: ok 43271
179: ok 43272
179: ok 43273
179: ok 43274
179: ok 43275
179: ok 43276
179: ok 43277
179: ok 43278
179: ok 43279
179: ok 43280
179: ok 43281
179: ok 43282
179: ok 43283
179: ok 43284
179: ok 43285
179: ok 43286
179: ok 43287
179: ok 43288
179: ok 43289
179: ok 43290
179: ok 43291
179: ok 43292
179: ok 43293
179: ok 43294
179: ok 43295
179: ok 43296
179: ok 43297
179: ok 43298
179: ok 43299
179: ok 43300
179: ok 43301
179: ok 43302
179: ok 43303
179: ok 43304
179: ok 43305
179: ok 43306
179: ok 43307
179: ok 43308
179: ok 43309
179: ok 43310
179: ok 43311
179: ok 43312
179: ok 43313
179: ok 43314
179: ok 43315
179: ok 43316
179: ok 43317
179: ok 43318
179: ok 43319
179: ok 43320
179: ok 43321
179: ok 43322
179: ok 43323
179: ok 43324
179: ok 43325
179: ok 43326
179: ok 43327
179: ok 43328
179: ok 43329
179: ok 43330
179: ok 43331
179: ok 43332
179: ok 43333
179: ok 43334
179: ok 43335
179: ok 43336
179: ok 43337
179: ok 43338
179: ok 43339
179: ok 43340
179: ok 43341
179: ok 43342
179: ok 43343
179: ok 43344
179: ok 43345
179: ok 43346
179: ok 43347
179: ok 43348
179: ok 43349
179: ok 43350
179: ok 43351
179: ok 43352
179: ok 43353
179: ok 43354
179: ok 43355
179: ok 43356
179: ok 43357
179: ok 43358
179: ok 43359
179: ok 43360
179: ok 43361
179: ok 43362
179: ok 43363
179: ok 43364
179: ok 43365
179: ok 43366
179: ok 43367
179: ok 43368
179: ok 43369
179: ok 43370
179: ok 43371
179: ok 43372
179: ok 43373
179: ok 43374
179: ok 43375
179: ok 43376
179: ok 43377
179: ok 43378
179: ok 43379
179: ok 43380
179: ok 43381
179: ok 43382
179: ok 43383
179: ok 43384
179: ok 43385
179: ok 43386
179: ok 43387
179: ok 43388
179: ok 43389
179: ok 43390
179: ok 43391
179: ok 43392
179: ok 43393
179: ok 43394
179: ok 43395
179: ok 43396
179: ok 43397
179: ok 43398
179: ok 43399
179: ok 43400
179: ok 43401
179: ok 43402
179: ok 43403
179: ok 43404
179: ok 43405
179: ok 43406
179: ok 43407
179: ok 43408
179: ok 43409
179: ok 43410
179: ok 43411
179: ok 43412
179: ok 43413
179: ok 43414
179: ok 43415
179: ok 43416
179: ok 43417
179: ok 43418
179: ok 43419
179: ok 43420
179: ok 43421
179: ok 43422
179: ok 43423
179: ok 43424
179: ok 43425
179: ok 43426
179: ok 43427
179: ok 43428
179: ok 43429
179: ok 43430
179: ok 43431
179: ok 43432
179: ok 43433
179: ok 43434
179: ok 43435
179: ok 43436
179: ok 43437
179: ok 43438
179: ok 43439
179: ok 43440
179: ok 43441
179: ok 43442
179: ok 43443
179: ok 43444
179: ok 43445
179: ok 43446
179: ok 43447
179: ok 43448
179: ok 43449
179: ok 43450
179: ok 43451
179: ok 43452
179: ok 43453
179: ok 43454
179: ok 43455
179: ok 43456
179: ok 43457
179: ok 43458
179: ok 43459
179: ok 43460
179: ok 43461
179: ok 43462
179: ok 43463
179: ok 43464
179: ok 43465
179: ok 43466
179: ok 43467
179: ok 43468
179: ok 43469
179: ok 43470
179: ok 43471
179: ok 43472
179: ok 43473
179: ok 43474
179: ok 43475
179: ok 43476
179: ok 43477
179: ok 43478
179: ok 43479
179: ok 43480
179: ok 43481
179: ok 43482
179: ok 43483
179: ok 43484
179: ok 43485
179: ok 43486
179: ok 43487
179: ok 43488
179: ok 43489
179: ok 43490
179: ok 43491
179: ok 43492
179: ok 43493
179: ok 43494
179: ok 43495
179: ok 43496
179: ok 43497
179: ok 43498
179: ok 43499
179: ok 43500
179: ok 43501
179: ok 43502
179: ok 43503
179: ok 43504
179: ok 43505
179: ok 43506
179: ok 43507
179: ok 43508
179: ok 43509
179: ok 43510
179: ok 43511
179: ok 43512
179: ok 43513
179: ok 43514
179: ok 43515
179: ok 43516
179: ok 43517
179: ok 43518
179: ok 43519
179: ok 43520
179: ok 43521
179: ok 43522
179: ok 43523
179: ok 43524
179: ok 43525
179: ok 43526
179: ok 43527
179: ok 43528
179: ok 43529
179: ok 43530
179: ok 43531
179: ok 43532
179: ok 43533
179: ok 43534
179: ok 43535
179: ok 43536
179: ok 43537
179: ok 43538
179: ok 43539
179: ok 43540
179: ok 43541
179: ok 43542
179: ok 43543
179: ok 43544
179: ok 43545
179: ok 43546
179: ok 43547
179: ok 43548
179: ok 43549
179: ok 43550
179: ok 43551
179: ok 43552
179: ok 43553
179: ok 43554
179: ok 43555
179: ok 43556
179: ok 43557
179: ok 43558
179: ok 43559
179: ok 43560
179: ok 43561
179: ok 43562
179: ok 43563
179: ok 43564
179: ok 43565
179: ok 43566
179: ok 43567
179: ok 43568
179: ok 43569
179: ok 43570
179: ok 43571
179: ok 43572
179: ok 43573
179: ok 43574
179: ok 43575
179: ok 43576
179: ok 43577
179: ok 43578
179: ok 43579
179: ok 43580
179: ok 43581
179: ok 43582
179: ok 43583
179: ok 43584
179: ok 43585
179: ok 43586
179: ok 43587
179: ok 43588
179: ok 43589
179: ok 43590
179: ok 43591
179: ok 43592
179: ok 43593
179: ok 43594
179: ok 43595
179: ok 43596
179: ok 43597
179: ok 43598
179: ok 43599
179: ok 43600
179: ok 43601
179: ok 43602
179: ok 43603
179: ok 43604
179: ok 43605
179: ok 43606
179: ok 43607
179: ok 43608
179: ok 43609
179: ok 43610
179: ok 43611
179: ok 43612
179: ok 43613
179: ok 43614
179: ok 43615
179: ok 43616
179: ok 43617
179: ok 43618
179: ok 43619
179: ok 43620
179: ok 43621
179: ok 43622
179: ok 43623
179: ok 43624
179: ok 43625
179: ok 43626
179: ok 43627
179: ok 43628
179: ok 43629
179: ok 43630
179: ok 43631
179: ok 43632
179: ok 43633
179: ok 43634
179: ok 43635
179: ok 43636
179: ok 43637
179: ok 43638
179: ok 43639
179: ok 43640
179: ok 43641
179: ok 43642
179: ok 43643
179: ok 43644
179: ok 43645
179: ok 43646
179: ok 43647
179: ok 43648
179: ok 43649
179: ok 43650
179: ok 43651
179: ok 43652
179: ok 43653
179: ok 43654
179: ok 43655
179: ok 43656
179: ok 43657
179: ok 43658
179: ok 43659
179: ok 43660
179: ok 43661
179: ok 43662
179: ok 43663
179: ok 43664
179: ok 43665
179: ok 43666
179: ok 43667
179: ok 43668
179: ok 43669
179: ok 43670
179: ok 43671
179: ok 43672
179: ok 43673
179: ok 43674
179: ok 43675
179: ok 43676
179: ok 43677
179: ok 43678
179: ok 43679
179: ok 43680
179: ok 43681
179: ok 43682
179: ok 43683
179: ok 43684
179: ok 43685
179: ok 43686
179: ok 43687
179: ok 43688
179: ok 43689
179: ok 43690
179: ok 43691
179: ok 43692
179: ok 43693
179: ok 43694
179: ok 43695
179: ok 43696
179: ok 43697
179: ok 43698
179: ok 43699
179: ok 43700
179: ok 43701
179: ok 43702
179: ok 43703
179: ok 43704
179: ok 43705
179: ok 43706
179: ok 43707
179: ok 43708
179: ok 43709
179: ok 43710
179: ok 43711
179: ok 43712
179: ok 43713
179: ok 43714
179: ok 43715
179: ok 43716
179: ok 43717
179: ok 43718
179: ok 43719
179: ok 43720
179: ok 43721
179: ok 43722
179: ok 43723
179: ok 43724
179: ok 43725
179: ok 43726
179: ok 43727
179: ok 43728
179: ok 43729
179: ok 43730
179: ok 43731
179: ok 43732
179: ok 43733
179: ok 43734
179: ok 43735
179: ok 43736
179: ok 43737
179: ok 43738
179: ok 43739
179: ok 43740
179: ok 43741
179: ok 43742
179: ok 43743
179: ok 43744
179: ok 43745
179: ok 43746
179: ok 43747
179: ok 43748
179: ok 43749
179: ok 43750
179: ok 43751
179: ok 43752
179: ok 43753
179: ok 43754
179: ok 43755
179: ok 43756
179: ok 43757
179: ok 43758
179: ok 43759
179: ok 43760
179: ok 43761
179: ok 43762
179: ok 43763
179: ok 43764
179: ok 43765
179: ok 43766
179: ok 43767
179: ok 43768
179: ok 43769
179: ok 43770
179: ok 43771
179: ok 43772
179: ok 43773
179: ok 43774
179: ok 43775
179: ok 43776
179: ok 43777
179: ok 43778
179: ok 43779
179: ok 43780
179: ok 43781
179: ok 43782
179: ok 43783
179: ok 43784
179: ok 43785
179: ok 43786
179: ok 43787
179: ok 43788
179: ok 43789
179: ok 43790
179: ok 43791
179: ok 43792
179: ok 43793
179: ok 43794
179: ok 43795
179: ok 43796
179: ok 43797
179: ok 43798
179: ok 43799
179: ok 43800
179: ok 43801
179: ok 43802
179: ok 43803
179: ok 43804
179: ok 43805
179: ok 43806
179: ok 43807
179: ok 43808
179: ok 43809
179: ok 43810
179: ok 43811
179: ok 43812
179: ok 43813
179: ok 43814
179: ok 43815
179: ok 43816
179: ok 43817
179: ok 43818
179: ok 43819
179: ok 43820
179: ok 43821
179: ok 43822
179: ok 43823
179: ok 43824
179: ok 43825
179: ok 43826
179: ok 43827
179: ok 43828
179: ok 43829
179: ok 43830
179: ok 43831
179: ok 43832
179: ok 43833
179: ok 43834
179: ok 43835
179: ok 43836
179: ok 43837
179: ok 43838
179: ok 43839
179: ok 43840
179: ok 43841
179: ok 43842
179: ok 43843
179: ok 43844
179: ok 43845
179: ok 43846
179: ok 43847
179: ok 43848
179: ok 43849
179: ok 43850
179: ok 43851
179: ok 43852
179: ok 43853
179: ok 43854
179: ok 43855
179: ok 43856
179: ok 43857
179: ok 43858
179: ok 43859
179: ok 43860
179: ok 43861
179: ok 43862
179: ok 43863
179: ok 43864
179: ok 43865
179: ok 43866
179: ok 43867
179: ok 43868
179: ok 43869
179: ok 43870
179: ok 43871
179: ok 43872
179: ok 43873
179: ok 43874
179: ok 43875
179: ok 43876
179: ok 43877
179: ok 43878
179: ok 43879
179: ok 43880
179: ok 43881
179: ok 43882
179: ok 43883
179: ok 43884
179: ok 43885
179: ok 43886
179: ok 43887
179: ok 43888
179: ok 43889
179: ok 43890
179: ok 43891
179: ok 43892
179: ok 43893
179: ok 43894
179: ok 43895
179: ok 43896
179: ok 43897
179: ok 43898
179: ok 43899
179: ok 43900
179: ok 43901
179: ok 43902
179: ok 43903
179: ok 43904
179: ok 43905
179: ok 43906
179: ok 43907
179: ok 43908
179: ok 43909
179: ok 43910
179: ok 43911
179: ok 43912
179: ok 43913
179: ok 43914
179: ok 43915
179: ok 43916
179: ok 43917
179: ok 43918
179: ok 43919
179: ok 43920
179: ok 43921
179: ok 43922
179: ok 43923
179: ok 43924
179: ok 43925
179: ok 43926
179: ok 43927
179: ok 43928
179: ok 43929
179: ok 43930
179: ok 43931
179: ok 43932
179: ok 43933
179: ok 43934
179: ok 43935
179: ok 43936
179: ok 43937
179: ok 43938
179: ok 43939
179: ok 43940
179: ok 43941
179: ok 43942
179: ok 43943
179: ok 43944
179: ok 43945
179: ok 43946
179: ok 43947
179: ok 43948
179: ok 43949
179: ok 43950
179: ok 43951
179: ok 43952
179: ok 43953
179: ok 43954
179: ok 43955
179: ok 43956
179: ok 43957
179: ok 43958
179: ok 43959
179: ok 43960
179: ok 43961
179: ok 43962
179: ok 43963
179: ok 43964
179: ok 43965
179: ok 43966
179: ok 43967
179: ok 43968
179: ok 43969
179: ok 43970
179: ok 43971
179: ok 43972
179: ok 43973
179: ok 43974
179: ok 43975
179: ok 43976
179: ok 43977
179: ok 43978
179: ok 43979
179: ok 43980
179: ok 43981
179: ok 43982
179: ok 43983
179: ok 43984
179: ok 43985
179: ok 43986
179: ok 43987
179: ok 43988
179: ok 43989
179: ok 43990
179: ok 43991
179: ok 43992
179: ok 43993
179: ok 43994
179: ok 43995
179: ok 43996
179: ok 43997
179: ok 43998
179: ok 43999
179: ok 44000
179: ok 44001
179: ok 44002
179: ok 44003
179: ok 44004
179: ok 44005
179: ok 44006
179: ok 44007
179: ok 44008
179: ok 44009
179: ok 44010
179: ok 44011
179: ok 44012
179: ok 44013
179: ok 44014
179: ok 44015
179: ok 44016
179: ok 44017
179: ok 44018
179: ok 44019
179: ok 44020
179: ok 44021
179: ok 44022
179: ok 44023
179: ok 44024
179: ok 44025
179: ok 44026
179: ok 44027
179: ok 44028
179: ok 44029
179: ok 44030
179: ok 44031
179: ok 44032
179: ok 44033
179: ok 44034
179: ok 44035
179: ok 44036
179: ok 44037
179: ok 44038
179: ok 44039
179: ok 44040
179: ok 44041
179: ok 44042
179: ok 44043
179: ok 44044
179: ok 44045
179: ok 44046
179: ok 44047
179: ok 44048
179: ok 44049
179: ok 44050
179: ok 44051
179: ok 44052
179: ok 44053
179: ok 44054
179: ok 44055
179: ok 44056
179: ok 44057
179: ok 44058
179: ok 44059
179: ok 44060
179: ok 44061
179: ok 44062
179: ok 44063
179: ok 44064
179: ok 44065
179: ok 44066
179: ok 44067
179: ok 44068
179: ok 44069
179: ok 44070
179: ok 44071
179: ok 44072
179: ok 44073
179: ok 44074
179: ok 44075
179: ok 44076
179: ok 44077
179: ok 44078
179: ok 44079
179: ok 44080
179: ok 44081
179: ok 44082
179: ok 44083
179: ok 44084
179: ok 44085
179: ok 44086
179: ok 44087
179: ok 44088
179: ok 44089
179: ok 44090
179: ok 44091
179: ok 44092
179: ok 44093
179: ok 44094
179: ok 44095
179: ok 44096
179: ok 44097
179: ok 44098
179: ok 44099
179: ok 44100
179: ok 44101
179: ok 44102
179: ok 44103
179: ok 44104
179: ok 44105
179: ok 44106
179: ok 44107
179: ok 44108
179: ok 44109
179: ok 44110
179: ok 44111
179: ok 44112
179: ok 44113
179: ok 44114
179: ok 44115
179: ok 44116
179: ok 44117
179: ok 44118
179: ok 44119
179: ok 44120
179: ok 44121
179: ok 44122
179: ok 44123
179: ok 44124
179: ok 44125
179: ok 44126
179: ok 44127
179: ok 44128
179: ok 44129
179: ok 44130
179: ok 44131
179: ok 44132
179: ok 44133
179: ok 44134
179: ok 44135
179: ok 44136
179: ok 44137
179: ok 44138
179: ok 44139
179: ok 44140
179: ok 44141
179: ok 44142
179: ok 44143
179: ok 44144
179: ok 44145
179: ok 44146
179: ok 44147
179: ok 44148
179: ok 44149
179: ok 44150
179: ok 44151
179: ok 44152
179: ok 44153
179: ok 44154
179: ok 44155
179: ok 44156
179: ok 44157
179: ok 44158
179: ok 44159
179: ok 44160
179: ok 44161
179: ok 44162
179: ok 44163
179: ok 44164
179: ok 44165
179: ok 44166
179: ok 44167
179: ok 44168
179: ok 44169
179: ok 44170
179: ok 44171
179: ok 44172
179: ok 44173
179: ok 44174
179: ok 44175
179: ok 44176
179: ok 44177
179: ok 44178
179: ok 44179
179: ok 44180
179: ok 44181
179: ok 44182
179: ok 44183
179: ok 44184
179: ok 44185
179: ok 44186
179: ok 44187
179: ok 44188
179: ok 44189
179: ok 44190
179: ok 44191
179: ok 44192
179: ok 44193
179: ok 44194
179: ok 44195
179: ok 44196
179: ok 44197
179: ok 44198
179: ok 44199
179: ok 44200
179: ok 44201
179: ok 44202
179: ok 44203
179: ok 44204
179: ok 44205
179: ok 44206
179: ok 44207
179: ok 44208
179: ok 44209
179: ok 44210
179: ok 44211
179: ok 44212
179: ok 44213
179: ok 44214
179: ok 44215
179: ok 44216
179: ok 44217
179: ok 44218
179: ok 44219
179: ok 44220
179: ok 44221
179: ok 44222
179: ok 44223
179: ok 44224
179: ok 44225
179: ok 44226
179: ok 44227
179: ok 44228
179: ok 44229
179: ok 44230
179: ok 44231
179: ok 44232
179: ok 44233
179: ok 44234
179: ok 44235
179: ok 44236
179: ok 44237
179: ok 44238
179: ok 44239
179: ok 44240
179: ok 44241
179: ok 44242
179: ok 44243
179: ok 44244
179: ok 44245
179: ok 44246
179: ok 44247
179: ok 44248
179: ok 44249
179: ok 44250
179: ok 44251
179: ok 44252
179: ok 44253
179: ok 44254
179: ok 44255
179: ok 44256
179: ok 44257
179: ok 44258
179: ok 44259
179: ok 44260
179: ok 44261
179: ok 44262
179: ok 44263
179: ok 44264
179: ok 44265
179: ok 44266
179: ok 44267
179: ok 44268
179: ok 44269
179: ok 44270
179: ok 44271
179: ok 44272
179: ok 44273
179: ok 44274
179: ok 44275
179: ok 44276
179: ok 44277
179: ok 44278
179: ok 44279
179: ok 44280
179: ok 44281
179: ok 44282
179: ok 44283
179: ok 44284
179: ok 44285
179: ok 44286
179: ok 44287
179: ok 44288
179: ok 44289
179: ok 44290
179: ok 44291
179: ok 44292
179: ok 44293
179: ok 44294
179: ok 44295
179: ok 44296
179: ok 44297
179: ok 44298
179: ok 44299
179: ok 44300
179: ok 44301
179: ok 44302
179: ok 44303
179: ok 44304
179: ok 44305
179: ok 44306
179: ok 44307
179: ok 44308
179: ok 44309
179: ok 44310
179: ok 44311
179: ok 44312
179: ok 44313
179: ok 44314
179: ok 44315
179: ok 44316
179: ok 44317
179: ok 44318
179: ok 44319
179: ok 44320
179: ok 44321
179: ok 44322
179: ok 44323
179: ok 44324
179: ok 44325
179: ok 44326
179: ok 44327
179: ok 44328
179: ok 44329
179: ok 44330
179: ok 44331
179: ok 44332
179: ok 44333
179: ok 44334
179: ok 44335
179: ok 44336
179: ok 44337
179: ok 44338
179: ok 44339
179: ok 44340
179: ok 44341
179: ok 44342
179: ok 44343
179: ok 44344
179: ok 44345
179: ok 44346
179: ok 44347
179: ok 44348
179: ok 44349
179: ok 44350
179: ok 44351
179: ok 44352
179: ok 44353
179: ok 44354
179: ok 44355
179: ok 44356
179: ok 44357
179: ok 44358
179: ok 44359
179: ok 44360
179: ok 44361
179: ok 44362
179: ok 44363
179: ok 44364
179: ok 44365
179: ok 44366
179: ok 44367
179: ok 44368
179: ok 44369
179: ok 44370
179: ok 44371
179: ok 44372
179: ok 44373
179: ok 44374
179: ok 44375
179: ok 44376
179: ok 44377
179: ok 44378
179: ok 44379
179: ok 44380
179: ok 44381
179: ok 44382
179: ok 44383
179: ok 44384
179: ok 44385
179: ok 44386
179: ok 44387
179: ok 44388
179: ok 44389
179: ok 44390
179: ok 44391
179: ok 44392
179: ok 44393
179: ok 44394
179: ok 44395
179: ok 44396
179: ok 44397
179: ok 44398
179: ok 44399
179: ok 44400
179: ok 44401
179: ok 44402
179: ok 44403
179: ok 44404
179: ok 44405
179: ok 44406
179: ok 44407
179: ok 44408
179: ok 44409
179: ok 44410
179: ok 44411
179: ok 44412
179: ok 44413
179: ok 44414
179: ok 44415
179: ok 44416
179: ok 44417
179: ok 44418
179: ok 44419
179: ok 44420
179: ok 44421
179: ok 44422
179: ok 44423
179: ok 44424
179: ok 44425
179: ok 44426
179: ok 44427
179: ok 44428
179: ok 44429
179: ok 44430
179: ok 44431
179: ok 44432
179: ok 44433
179: ok 44434
179: ok 44435
179: ok 44436
179: ok 44437
179: ok 44438
179: ok 44439
179: ok 44440
179: ok 44441
179: ok 44442
179: ok 44443
179: ok 44444
179: ok 44445
179: ok 44446
179: ok 44447
179: ok 44448
179: ok 44449
179: ok 44450
179: ok 44451
179: ok 44452
179: ok 44453
179: ok 44454
179: ok 44455
179: ok 44456
179: ok 44457
179: ok 44458
179: ok 44459
179: ok 44460
179: ok 44461
179: ok 44462
179: ok 44463
179: ok 44464
179: ok 44465
179: ok 44466
179: ok 44467
179: ok 44468
179: ok 44469
179: ok 44470
179: ok 44471
179: ok 44472
179: ok 44473
179: ok 44474
179: ok 44475
179: ok 44476
179: ok 44477
179: ok 44478
179: ok 44479
179: ok 44480
179: ok 44481
179: ok 44482
179: ok 44483
179: ok 44484
179: ok 44485
179: ok 44486
179: ok 44487
179: ok 44488
179: ok 44489
179: ok 44490
179: ok 44491
179: ok 44492
179: ok 44493
179: ok 44494
179: ok 44495
179: ok 44496
179: ok 44497
179: ok 44498
179: ok 44499
179: ok 44500
179: ok 44501
179: ok 44502
179: ok 44503
179: ok 44504
179: ok 44505
179: ok 44506
179: ok 44507
179: ok 44508
179: ok 44509
179: ok 44510
179: ok 44511
179: ok 44512
179: ok 44513
179: ok 44514
179: ok 44515
179: ok 44516
179: ok 44517
179: ok 44518
179: ok 44519
179: ok 44520
179: ok 44521
179: ok 44522
179: ok 44523
179: ok 44524
179: ok 44525
179: ok 44526
179: ok 44527
179: ok 44528
179: ok 44529
179: ok 44530
179: ok 44531
179: ok 44532
179: ok 44533
179: ok 44534
179: ok 44535
179: ok 44536
179: ok 44537
179: ok 44538
179: ok 44539
179: ok 44540
179: ok 44541
179: ok 44542
179: ok 44543
179: ok 44544
179: ok 44545
179: ok 44546
179: ok 44547
179: ok 44548
179: ok 44549
179: ok 44550
179: ok 44551
179: ok 44552
179: ok 44553
179: ok 44554
179: ok 44555
179: ok 44556
179: ok 44557
179: ok 44558
179: ok 44559
179: ok 44560
179: ok 44561
179: ok 44562
179: ok 44563
179: ok 44564
179: ok 44565
179: ok 44566
179: ok 44567
179: ok 44568
179: ok 44569
179: ok 44570
179: ok 44571
179: ok 44572
179: ok 44573
179: ok 44574
179: ok 44575
179: ok 44576
179: ok 44577
179: ok 44578
179: ok 44579
179: ok 44580
179: ok 44581
179: ok 44582
179: ok 44583
179: ok 44584
179: ok 44585
179: ok 44586
179: ok 44587
179: ok 44588
179: ok 44589
179: ok 44590
179: ok 44591
179: ok 44592
179: ok 44593
179: ok 44594
179: ok 44595
179: ok 44596
179: ok 44597
179: ok 44598
179: ok 44599
179: ok 44600
179: ok 44601
179: ok 44602
179: ok 44603
179: ok 44604
179: ok 44605
179: ok 44606
179: ok 44607
179: ok 44608
179: ok 44609
179: ok 44610
179: ok 44611
179: ok 44612
179: ok 44613
179: ok 44614
179: ok 44615
179: ok 44616
179: ok 44617
179: ok 44618
179: ok 44619
179: ok 44620
179: ok 44621
179: ok 44622
179: ok 44623
179: ok 44624
179: ok 44625
179: ok 44626
179: ok 44627
179: ok 44628
179: ok 44629
179: ok 44630
179: ok 44631
179: ok 44632
179: ok 44633
179: ok 44634
179: ok 44635
179: ok 44636
179: ok 44637
179: ok 44638
179: ok 44639
179: ok 44640
179: ok 44641
179: ok 44642
179: ok 44643
179: ok 44644
179: ok 44645
179: ok 44646
179: ok 44647
179: ok 44648
179: ok 44649
179: ok 44650
179: ok 44651
179: ok 44652
179: ok 44653
179: ok 44654
179: ok 44655
179: ok 44656
179: ok 44657
179: ok 44658
179: ok 44659
179: ok 44660
179: ok 44661
179: ok 44662
179: ok 44663
179: ok 44664
179: ok 44665
179: ok 44666
179: ok 44667
179: ok 44668
179: ok 44669
179: ok 44670
179: ok 44671
179: ok 44672
179: ok 44673
179: ok 44674
179: ok 44675
179: ok 44676
179: ok 44677
179: ok 44678
179: ok 44679
179: ok 44680
179: ok 44681
179: ok 44682
179: ok 44683
179: ok 44684
179: ok 44685
179: ok 44686
179: ok 44687
179: ok 44688
179: ok 44689
179: ok 44690
179: ok 44691
179: ok 44692
179: ok 44693
179: ok 44694
179: ok 44695
179: ok 44696
179: ok 44697
179: ok 44698
179: ok 44699
179: ok 44700
179: ok 44701
179: ok 44702
179: ok 44703
179: ok 44704
179: ok 44705
179: ok 44706
179: ok 44707
179: ok 44708
179: ok 44709
179: ok 44710
179: ok 44711
179: ok 44712
179: ok 44713
179: ok 44714
179: ok 44715
179: ok 44716
179: ok 44717
179: ok 44718
179: ok 44719
179: ok 44720
179: ok 44721
179: ok 44722
179: ok 44723
179: ok 44724
179: ok 44725
179: ok 44726
179: ok 44727
179: ok 44728
179: ok 44729
179: ok 44730
179: ok 44731
179: ok 44732
179: ok 44733
179: ok 44734
179: ok 44735
179: ok 44736
179: ok 44737
179: ok 44738
179: ok 44739
179: ok 44740
179: ok 44741
179: ok 44742
179: ok 44743
179: ok 44744
179: ok 44745
179: ok 44746
179: ok 44747
179: ok 44748
179: ok 44749
179: ok 44750
179: ok 44751
179: ok 44752
179: ok 44753
179: ok 44754
179: ok 44755
179: ok 44756
179: ok 44757
179: ok 44758
179: ok 44759
179: ok 44760
179: ok 44761
179: ok 44762
179: ok 44763
179: ok 44764
179: ok 44765
179: ok 44766
179: ok 44767
179: ok 44768
179: ok 44769
179: ok 44770
179: ok 44771
179: ok 44772
179: ok 44773
179: ok 44774
179: ok 44775
179: ok 44776
179: ok 44777
179: ok 44778
179: ok 44779
179: ok 44780
179: ok 44781
179: ok 44782
179: ok 44783
179: ok 44784
179: ok 44785
179: ok 44786
179: ok 44787
179: ok 44788
179: ok 44789
179: ok 44790
179: ok 44791
179: ok 44792
179: ok 44793
179: ok 44794
179: ok 44795
179: ok 44796
179: ok 44797
179: ok 44798
179: ok 44799
179: ok 44800
179: ok 44801
179: ok 44802
179: ok 44803
179: ok 44804
179: ok 44805
179: ok 44806
179: ok 44807
179: ok 44808
179: ok 44809
179: ok 44810
179: ok 44811
179: ok 44812
179: ok 44813
179: ok 44814
179: ok 44815
179: ok 44816
179: ok 44817
179: ok 44818
179: ok 44819
179: ok 44820
179: ok 44821
179: ok 44822
179: ok 44823
179: ok 44824
179: ok 44825
179: ok 44826
179: ok 44827
179: ok 44828
179: ok 44829
179: ok 44830
179: ok 44831
179: ok 44832
179: ok 44833
179: ok 44834
179: ok 44835
179: ok 44836
179: ok 44837
179: ok 44838
179: ok 44839
179: ok 44840
179: ok 44841
179: ok 44842
179: ok 44843
179: ok 44844
179: ok 44845
179: ok 44846
179: ok 44847
179: ok 44848
179: ok 44849
179: ok 44850
179: ok 44851
179: ok 44852
179: ok 44853
179: ok 44854
179: ok 44855
179: ok 44856
179: ok 44857
179: ok 44858
179: ok 44859
179: ok 44860
179: ok 44861
179: ok 44862
179: ok 44863
179: ok 44864
179: ok 44865
179: ok 44866
179: ok 44867
179: ok 44868
179: ok 44869
179: ok 44870
179: ok 44871
179: ok 44872
179: ok 44873
179: ok 44874
179: ok 44875
179: ok 44876
179: ok 44877
179: ok 44878
179: ok 44879
179: ok 44880
179: ok 44881
179: ok 44882
179: ok 44883
179: ok 44884
179: ok 44885
179: ok 44886
179: ok 44887
179: ok 44888
179: ok 44889
179: ok 44890
179: ok 44891
179: ok 44892
179: ok 44893
179: ok 44894
179: ok 44895
179: ok 44896
179: ok 44897
179: ok 44898
179: ok 44899
179: ok 44900
179: ok 44901
179: ok 44902
179: ok 44903
179: ok 44904
179: ok 44905
179: ok 44906
179: ok 44907
179: ok 44908
179: ok 44909
179: ok 44910
179: ok 44911
179: ok 44912
179: ok 44913
179: ok 44914
179: ok 44915
179: ok 44916
179: ok 44917
179: ok 44918
179: ok 44919
179: ok 44920
179: ok 44921
179: ok 44922
179: ok 44923
179: ok 44924
179: ok 44925
179: ok 44926
179: ok 44927
179: ok 44928
179: ok 44929
179: ok 44930
179: ok 44931
179: ok 44932
179: ok 44933
179: ok 44934
179: ok 44935
179: ok 44936
179: ok 44937
179: ok 44938
179: ok 44939
179: ok 44940
179: ok 44941
179: ok 44942
179: ok 44943
179: ok 44944
179: ok 44945
179: ok 44946
179: ok 44947
179: ok 44948
179: ok 44949
179: ok 44950
179: ok 44951
179: ok 44952
179: ok 44953
179: ok 44954
179: ok 44955
179: ok 44956
179: ok 44957
179: ok 44958
179: ok 44959
179: ok 44960
179: ok 44961
179: ok 44962
179: ok 44963
179: ok 44964
179: ok 44965
179: ok 44966
179: ok 44967
179: ok 44968
179: ok 44969
179: ok 44970
179: ok 44971
179: ok 44972
179: ok 44973
179: ok 44974
179: ok 44975
179: ok 44976
179: ok 44977
179: ok 44978
179: ok 44979
179: ok 44980
179: ok 44981
179: ok 44982
179: ok 44983
179: ok 44984
179: ok 44985
179: ok 44986
179: ok 44987
179: ok 44988
179: ok 44989
179: ok 44990
179: ok 44991
179: ok 44992
179: ok 44993
179: ok 44994
179: ok 44995
179: ok 44996
179: ok 44997
179: ok 44998
179: ok 44999
179: ok 45000
179: ok 45001
179: ok 45002
179: ok 45003
179: ok 45004
179: ok 45005
179: ok 45006
179: ok 45007
179: ok 45008
179: ok 45009
179: ok 45010
179: ok 45011
179: ok 45012
179: ok 45013
179: ok 45014
179: ok 45015
179: ok 45016
179: ok 45017
179: ok 45018
179: ok 45019
179: ok 45020
179: ok 45021
179: ok 45022
179: ok 45023
179: ok 45024
179: ok 45025
179: ok 45026
179: ok 45027
179: ok 45028
179: ok 45029
179: ok 45030
179: ok 45031
179: ok 45032
179: ok 45033
179: ok 45034
179: ok 45035
179: ok 45036
179: ok 45037
179: ok 45038
179: ok 45039
179: ok 45040
179: ok 45041
179: ok 45042
179: ok 45043
179: ok 45044
179: ok 45045
179: ok 45046
179: ok 45047
179: ok 45048
179: ok 45049
179: ok 45050
179: ok 45051
179: ok 45052
179: ok 45053
179: ok 45054
179: ok 45055
179: ok 45056
179: ok 45057
179: ok 45058
179: ok 45059
179: ok 45060
179: ok 45061
179: ok 45062
179: ok 45063
179: ok 45064
179: ok 45065
179: ok 45066
179: ok 45067
179: ok 45068
179: ok 45069
179: ok 45070
179: ok 45071
179: ok 45072
179: ok 45073
179: ok 45074
179: ok 45075
179: ok 45076
179: ok 45077
179: ok 45078
179: ok 45079
179: ok 45080
179: ok 45081
179: ok 45082
179: ok 45083
179: ok 45084
179: ok 45085
179: ok 45086
179: ok 45087
179: ok 45088
179: ok 45089
179: ok 45090
179: ok 45091
179: ok 45092
179: ok 45093
179: ok 45094
179: ok 45095
179: ok 45096
179: ok 45097
179: ok 45098
179: ok 45099
179: ok 45100
179: ok 45101
179: ok 45102
179: ok 45103
179: ok 45104
179: ok 45105
179: ok 45106
179: ok 45107
179: ok 45108
179: ok 45109
179: ok 45110
179: ok 45111
179: ok 45112
179: ok 45113
179: ok 45114
179: ok 45115
179: ok 45116
179: ok 45117
179: ok 45118
179: ok 45119
179: ok 45120
179: ok 45121
179: ok 45122
179: ok 45123
179: ok 45124
179: ok 45125
179: ok 45126
179: ok 45127
179: ok 45128
179: ok 45129
179: ok 45130
179: ok 45131
179: ok 45132
179: ok 45133
179: ok 45134
179: ok 45135
179: ok 45136
179: ok 45137
179: ok 45138
179: ok 45139
179: ok 45140
179: ok 45141
179: ok 45142
179: ok 45143
179: ok 45144
179: ok 45145
179: ok 45146
179: ok 45147
179: ok 45148
179: ok 45149
179: ok 45150
179: ok 45151
179: ok 45152
179: ok 45153
179: ok 45154
179: ok 45155
179: ok 45156
179: ok 45157
179: ok 45158
179: ok 45159
179: ok 45160
179: ok 45161
179: ok 45162
179: ok 45163
179: ok 45164
179: ok 45165
179: ok 45166
179: ok 45167
179: ok 45168
179: ok 45169
179: ok 45170
179: ok 45171
179: ok 45172
179: ok 45173
179: ok 45174
179: ok 45175
179: ok 45176
179: ok 45177
179: ok 45178
179: ok 45179
179: ok 45180
179: ok 45181
179: ok 45182
179: ok 45183
179: ok 45184
179: ok 45185
179: ok 45186
179: ok 45187
179: ok 45188
179: ok 45189
179: ok 45190
179: ok 45191
179: ok 45192
179: ok 45193
179: ok 45194
179: ok 45195
179: ok 45196
179: ok 45197
179: ok 45198
179: ok 45199
179: ok 45200
179: ok 45201
179: ok 45202
179: ok 45203
179: ok 45204
179: ok 45205
179: ok 45206
179: ok 45207
179: ok 45208
179: ok 45209
179: ok 45210
179: ok 45211
179: ok 45212
179: ok 45213
179: ok 45214
179: ok 45215
179: ok 45216
179: ok 45217
179: ok 45218
179: ok 45219
179: ok 45220
179: ok 45221
179: ok 45222
179: ok 45223
179: ok 45224
179: ok 45225
179: ok 45226
179: ok 45227
179: ok 45228
179: ok 45229
179: ok 45230
179: ok 45231
179: ok 45232
179: ok 45233
179: ok 45234
179: ok 45235
179: ok 45236
179: ok 45237
179: ok 45238
179: ok 45239
179: ok 45240
179: ok 45241
179: ok 45242
179: ok 45243
179: ok 45244
179: ok 45245
179: ok 45246
179: ok 45247
179: ok 45248
179: ok 45249
179: ok 45250
179: ok 45251
179: ok 45252
179: ok 45253
179: ok 45254
179: ok 45255
179: ok 45256
179: ok 45257
179: ok 45258
179: ok 45259
179: ok 45260
179: ok 45261
179: ok 45262
179: ok 45263
179: ok 45264
179: ok 45265
179: ok 45266
179: ok 45267
179: ok 45268
179: ok 45269
179: ok 45270
179: ok 45271
179: ok 45272
179: ok 45273
179: ok 45274
179: ok 45275
179: ok 45276
179: ok 45277
179: ok 45278
179: ok 45279
179: ok 45280
179: ok 45281
179: ok 45282
179: ok 45283
179: ok 45284
179: ok 45285
179: ok 45286
179: ok 45287
179: ok 45288
179: ok 45289
179: ok 45290
179: ok 45291
179: ok 45292
179: ok 45293
179: ok 45294
179: ok 45295
179: ok 45296
179: ok 45297
179: ok 45298
179: ok 45299
179: ok 45300
179: ok 45301
179: ok 45302
179: ok 45303
179: ok 45304
179: ok 45305
179: ok 45306
179: ok 45307
179: ok 45308
179: ok 45309
179: ok 45310
179: ok 45311
179: ok 45312
179: ok 45313
179: ok 45314
179: ok 45315
179: ok 45316
179: ok 45317
179: ok 45318
179: ok 45319
179: ok 45320
179: ok 45321
179: ok 45322
179: ok 45323
179: ok 45324
179: ok 45325
179: ok 45326
179: ok 45327
179: ok 45328
179: ok 45329
179: ok 45330
179: ok 45331
179: ok 45332
179: ok 45333
179: ok 45334
179: ok 45335
179: ok 45336
179: ok 45337
179: ok 45338
179: ok 45339
179: ok 45340
179: ok 45341
179: ok 45342
179: ok 45343
179: ok 45344
179: ok 45345
179: ok 45346
179: ok 45347
179: ok 45348
179: ok 45349
179: ok 45350
179: ok 45351
179: ok 45352
179: ok 45353
179: ok 45354
179: ok 45355
179: ok 45356
179: ok 45357
179: ok 45358
179: ok 45359
179: ok 45360
179: ok 45361
179: ok 45362
179: ok 45363
179: ok 45364
179: ok 45365
179: ok 45366
179: ok 45367
179: ok 45368
179: ok 45369
179: ok 45370
179: ok 45371
179: ok 45372
179: ok 45373
179: ok 45374
179: ok 45375
179: ok 45376
179: ok 45377
179: ok 45378
179: ok 45379
179: ok 45380
179: ok 45381
179: ok 45382
179: ok 45383
179: ok 45384
179: ok 45385
179: ok 45386
179: ok 45387
179: ok 45388
179: ok 45389
179: ok 45390
179: ok 45391
179: ok 45392
179: ok 45393
179: ok 45394
179: ok 45395
179: ok 45396
179: ok 45397
179: ok 45398
179: ok 45399
179: ok 45400
179: ok 45401
179: ok 45402
179: ok 45403
179: ok 45404
179: ok 45405
179: ok 45406
179: ok 45407
179: ok 45408
179: ok 45409
179: ok 45410
179: ok 45411
179: ok 45412
179: ok 45413
179: ok 45414
179: ok 45415
179: ok 45416
179: ok 45417
179: ok 45418
179: ok 45419
179: ok 45420
179: ok 45421
179: ok 45422
179: ok 45423
179: ok 45424
179: ok 45425
179: ok 45426
179: ok 45427
179: ok 45428
179: ok 45429
179: ok 45430
179: ok 45431
179: ok 45432
179: ok 45433
179: ok 45434
179: ok 45435
179: ok 45436
179: ok 45437
179: ok 45438
179: ok 45439
179: ok 45440
179: ok 45441
179: ok 45442
179: ok 45443
179: ok 45444
179: ok 45445
179: ok 45446
179: ok 45447
179: ok 45448
179: ok 45449
179: ok 45450
179: ok 45451
179: ok 45452
179: ok 45453
179: ok 45454
179: ok 45455
179: ok 45456
179: ok 45457
179: ok 45458
179: ok 45459
179: ok 45460
179: ok 45461
179: ok 45462
179: ok 45463
179: ok 45464
179: ok 45465
179: ok 45466
179: ok 45467
179: ok 45468
179: ok 45469
179: ok 45470
179: ok 45471
179: ok 45472
179: ok 45473
179: ok 45474
179: ok 45475
179: ok 45476
179: ok 45477
179: ok 45478
179: ok 45479
179: ok 45480
179: ok 45481
179: ok 45482
179: ok 45483
179: ok 45484
179: ok 45485
179: ok 45486
179: ok 45487
179: ok 45488
179: ok 45489
179: ok 45490
179: ok 45491
179: ok 45492
179: ok 45493
179: ok 45494
179: ok 45495
179: ok 45496
179: ok 45497
179: ok 45498
179: ok 45499
179: ok 45500
179: ok 45501
179: ok 45502
179: ok 45503
179: ok 45504
179: ok 45505
179: ok 45506
179: ok 45507
179: ok 45508
179: ok 45509
179: ok 45510
179: ok 45511
179: ok 45512
179: ok 45513
179: ok 45514
179: ok 45515
179: ok 45516
179: ok 45517
179: ok 45518
179: ok 45519
179: ok 45520
179: ok 45521
179: ok 45522
179: ok 45523
179: ok 45524
179: ok 45525
179: ok 45526
179: ok 45527
179: ok 45528
179: ok 45529
179: ok 45530
179: ok 45531
179: ok 45532
179: ok 45533
179: ok 45534
179: ok 45535
179: ok 45536
179: ok 45537
179: ok 45538
179: ok 45539
179: ok 45540
179: ok 45541
179: ok 45542
179: ok 45543
179: ok 45544
179: ok 45545
179: ok 45546
179: ok 45547
179: ok 45548
179: ok 45549
179: ok 45550
179: ok 45551
179: ok 45552
179: ok 45553
179: ok 45554
179: ok 45555
179: ok 45556
179: ok 45557
179: ok 45558
179: ok 45559
179: ok 45560
179: ok 45561
179: ok 45562
179: ok 45563
179: ok 45564
179: ok 45565
179: ok 45566
179: ok 45567
179: ok 45568
179: ok 45569
179: ok 45570
179: ok 45571
179: ok 45572
179: ok 45573
179: ok 45574
179: ok 45575
179: ok 45576
179: ok 45577
179: ok 45578
179: ok 45579
179: ok 45580
179: ok 45581
179: ok 45582
179: ok 45583
179: ok 45584
179: ok 45585
179: ok 45586
179: ok 45587
179: ok 45588
179: ok 45589
179: ok 45590
179: ok 45591
179: ok 45592
179: ok 45593
179: ok 45594
179: ok 45595
179: ok 45596
179: ok 45597
179: ok 45598
179: ok 45599
179: ok 45600
179: ok 45601
179: ok 45602
179: ok 45603
179: ok 45604
179: ok 45605
179: ok 45606
179: ok 45607
179: ok 45608
179: ok 45609
179: ok 45610
179: ok 45611
179: ok 45612
179: ok 45613
179: ok 45614
179: ok 45615
179: ok 45616
179: ok 45617
179: ok 45618
179: ok 45619
179: ok 45620
179: ok 45621
179: ok 45622
179: ok 45623
179: ok 45624
179: ok 45625
179: ok 45626
179: ok 45627
179: ok 45628
179: ok 45629
179: ok 45630
179: ok 45631
179: ok 45632
179: ok 45633
179: ok 45634
179: ok 45635
179: ok 45636
179: ok 45637
179: ok 45638
179: ok 45639
179: ok 45640
179: ok 45641
179: ok 45642
179: ok 45643
179: ok 45644
179: ok 45645
179: ok 45646
179: ok 45647
179: ok 45648
179: ok 45649
179: ok 45650
179: ok 45651
179: ok 45652
179: ok 45653
179: ok 45654
179: ok 45655
179: ok 45656
179: ok 45657
179: ok 45658
179: ok 45659
179: ok 45660
179: ok 45661
179: ok 45662
179: ok 45663
179: ok 45664
179: ok 45665
179: ok 45666
179: ok 45667
179: ok 45668
179: ok 45669
179: ok 45670
179: ok 45671
179: ok 45672
179: ok 45673
179: ok 45674
179: ok 45675
179: ok 45676
179: ok 45677
179: ok 45678
179: ok 45679
179: ok 45680
179: ok 45681
179: ok 45682
179: ok 45683
179: ok 45684
179: ok 45685
179: ok 45686
179: ok 45687
179: ok 45688
179: ok 45689
179: ok 45690
179: ok 45691
179: ok 45692
179: ok 45693
179: ok 45694
179: ok 45695
179: ok 45696
179: ok 45697
179: ok 45698
179: ok 45699
179: ok 45700
179: ok 45701
179: ok 45702
179: ok 45703
179: ok 45704
179: ok 45705
179: ok 45706
179: ok 45707
179: ok 45708
179: ok 45709
179: ok 45710
179: ok 45711
179: ok 45712
179: ok 45713
179: ok 45714
179: ok 45715
179: ok 45716
179: ok 45717
179: ok 45718
179: ok 45719
179: ok 45720
179: ok 45721
179: ok 45722
179: ok 45723
179: ok 45724
179: ok 45725
179: ok 45726
179: ok 45727
179: ok 45728
179: ok 45729
179: ok 45730
179: ok 45731
179: ok 45732
179: ok 45733
179: ok 45734
179: ok 45735
179: ok 45736
179: ok 45737
179: ok 45738
179: ok 45739
179: ok 45740
179: ok 45741
179: ok 45742
179: ok 45743
179: ok 45744
179: ok 45745
179: ok 45746
179: ok 45747
179: ok 45748
179: ok 45749
179: ok 45750
179: ok 45751
179: ok 45752
179: ok 45753
179: ok 45754
179: ok 45755
179: ok 45756
179: ok 45757
179: ok 45758
179: ok 45759
179: ok 45760
179: ok 45761
179: ok 45762
179: ok 45763
179: ok 45764
179: ok 45765
179: ok 45766
179: ok 45767
179: ok 45768
179: ok 45769
179: ok 45770
179: ok 45771
179: ok 45772
179: ok 45773
179: ok 45774
179: ok 45775
179: ok 45776
179: ok 45777
179: ok 45778
179: ok 45779
179: ok 45780
179: ok 45781
179: ok 45782
179: ok 45783
179: ok 45784
179: ok 45785
179: ok 45786
179: ok 45787
179: ok 45788
179: ok 45789
179: ok 45790
179: ok 45791
179: ok 45792
179: ok 45793
179: ok 45794
179: ok 45795
179: ok 45796
179: ok 45797
179: ok 45798
179: ok 45799
179: ok 45800
179: ok 45801
179: ok 45802
179: ok 45803
179: ok 45804
179: ok 45805
179: ok 45806
179: ok 45807
179: ok 45808
179: ok 45809
179: ok 45810
179: ok 45811
179: ok 45812
179: ok 45813
179: ok 45814
179: ok 45815
179: ok 45816
179: ok 45817
179: ok 45818
179: ok 45819
179: ok 45820
179: ok 45821
179: ok 45822
179: ok 45823
179: ok 45824
179: ok 45825
179: ok 45826
179: ok 45827
179: ok 45828
179: ok 45829
179: ok 45830
179: ok 45831
179: ok 45832
179: ok 45833
179: ok 45834
179: ok 45835
179: ok 45836
179: ok 45837
179: ok 45838
179: ok 45839
179: ok 45840
179: ok 45841
179: ok 45842
179: ok 45843
179: ok 45844
179: ok 45845
179: ok 45846
179: ok 45847
179: ok 45848
179: ok 45849
179: ok 45850
179: ok 45851
179: ok 45852
179: ok 45853
179: ok 45854
179: ok 45855
179: ok 45856
179: ok 45857
179: ok 45858
179: ok 45859
179: ok 45860
179: ok 45861
179: ok 45862
179: ok 45863
179: ok 45864
179: ok 45865
179: ok 45866
179: ok 45867
179: ok 45868
179: ok 45869
179: ok 45870
179: ok 45871
179: ok 45872
179: ok 45873
179: ok 45874
179: ok 45875
179: ok 45876
179: ok 45877
179: ok 45878
179: ok 45879
179: ok 45880
179: ok 45881
179: ok 45882
179: ok 45883
179: ok 45884
179: ok 45885
179: ok 45886
179: ok 45887
179: ok 45888
179: ok 45889
179: ok 45890
179: ok 45891
179: ok 45892
179: ok 45893
179: ok 45894
179: ok 45895
179: ok 45896
179: ok 45897
179: ok 45898
179: ok 45899
179: ok 45900
179: ok 45901
179: ok 45902
179: ok 45903
179: ok 45904
179: ok 45905
179: ok 45906
179: ok 45907
179: ok 45908
179: ok 45909
179: ok 45910
179: ok 45911
179: ok 45912
179: ok 45913
179: ok 45914
179: ok 45915
179: ok 45916
179: ok 45917
179: ok 45918
179: ok 45919
179: ok 45920
179: ok 45921
179: ok 45922
179: ok 45923
179: ok 45924
179: ok 45925
179: ok 45926
179: ok 45927
179: ok 45928
179: ok 45929
179: ok 45930
179: ok 45931
179: ok 45932
179: ok 45933
179: ok 45934
179: ok 45935
179: ok 45936
179: ok 45937
179: ok 45938
179: ok 45939
179: ok 45940
179: ok 45941
179: ok 45942
179: ok 45943
179: ok 45944
179: ok 45945
179: ok 45946
179: ok 45947
179: ok 45948
179: ok 45949
179: ok 45950
179: ok 45951
179: ok 45952
179: ok 45953
179: ok 45954
179: ok 45955
179: ok 45956
179: ok 45957
179: ok 45958
179: ok 45959
179: ok 45960
179: ok 45961
179: ok 45962
179: ok 45963
179: ok 45964
179: ok 45965
179: ok 45966
179: ok 45967
179: ok 45968
179: ok 45969
179: ok 45970
179: ok 45971
179: ok 45972
179: ok 45973
179: ok 45974
179: ok 45975
179: ok 45976
179: ok 45977
179: ok 45978
179: ok 45979
179: ok 45980
179: ok 45981
179: ok 45982
179: ok 45983
179: ok 45984
179: ok 45985
179: ok 45986
179: ok 45987
179: ok 45988
179: ok 45989
179: ok 45990
179: ok 45991
179: ok 45992
179: ok 45993
179: ok 45994
179: ok 45995
179: ok 45996
179: ok 45997
179: ok 45998
179: ok 45999
179: ok 46000
179: # math: passed testBasics_matrix3x3
179: 1..46000
179: # math: all tests are successful
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fi3_jk2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fi4_fi4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fj6_cih.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fkb_tnv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fkl_fkl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fkn_fkn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fl1_cgp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fl5_txq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3flf_ub3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fli_33y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fln_3fn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3flw_flw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3flz_flz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fmz_2t1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fne_8pc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fnf_jpm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fng_jpl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fnh_jpj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3foo_pxx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3for_znp.sdf
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180: # math: repeating each test 1000 times
180: # Testing MMFF94 Force Field...
180: # math: entering testArithmeticOperators
180: ok 1
180: ok 2
180: ok 3
180: ok 4
180: ok 5
180: ok 6
180: ok 7
180: ok 8
180: ok 9
180: ok 10
180: ok 11
180: ok 12
180: ok 13
180: ok 14
180: ok 15
180: ok 16
180: ok 17
180: ok 18
180: ok 19
180: ok 20
180: ok 21
180: ok 22
180: ok 23
180: ok 24
180: ok 25
180: ok 26
180: ok 27
180: ok 28
180: ok 29
180: ok 30
180: ok 31
180: ok 32
180: ok 33
180: ok 34
180: ok 35
180: ok 36
180: ok 37
180: ok 38
180: ok 39
180: ok 40
180: ok 41
180: ok 42
180: ok 43
180: ok 44
180: ok 45
180: ok 46
180: ok 47
180: ok 48
180: ok 49
180: ok 50
180: ok 51
180: ok 52
180: ok 53
180: ok 54
180: ok 55
180: ok 56
180: ok 57
180: ok 58
180: ok 59
180: ok 60
180: ok 61
180: ok 62
180: ok 63
180: ok 64
180: ok 65
180: ok 66
180: ok 67
180: ok 68
180: ok 69
180: ok 70
180: ok 71
180: ok 72
180: ok 73
180: ok 74
180: ok 75
180: ok 76
180: ok 77
180: ok 78
180: ok 79
180: ok 80
180: ok 81
180: ok 82
180: ok 83
180: ok 84
180: ok 85
180: ok 86
180: ok 87
180: ok 88
180: ok 89
180: ok 90
180: ok 91
180: ok 92
180: ok 93
180: ok 94
180: ok 95
180: ok 96
180: ok 97
180: ok 98
180: ok 99
180: ok 100
180: ok 101
180: ok 102
180: ok 103
180: ok 104
180: ok 105
180: ok 106
180: ok 107
180: ok 108
180: ok 109
180: ok 110
180: ok 111
180: ok 112
180: ok 113
180: ok 114
180: ok 115
180: ok 116
180: ok 117
180: ok 118
180: ok 119
180: ok 120
180: ok 121
180: ok 122
180: ok 123
180: ok 124
180: ok 125
180: ok 126
180: ok 127
180: ok 128
180: ok 129
180: ok 130
180: ok 131
180: ok 132
180: ok 133
180: ok 134
180: ok 135
180: ok 136
180: ok 137
180: ok 138
180: ok 139
180: ok 140
180: ok 141
180: ok 142
180: ok 143
180: ok 144
180: ok 145
180: ok 146
180: ok 147
180: ok 148
180: ok 149
180: ok 150
180: ok 151
180: ok 152
180: ok 153
180: ok 154
180: ok 155
180: ok 156
180: ok 157
180: ok 158
180: ok 159
180: ok 160
180: ok 161
180: ok 162
180: ok 163
180: ok 164
180: ok 165
180: ok 166
180: ok 167
180: ok 168
180: ok 169
180: ok 170
180: ok 171
180: ok 172
180: ok 173
180: ok 174
180: ok 175
180: ok 176
180: ok 177
180: ok 178
180: ok 179
180: ok 180
180: ok 181
180: ok 182
180: ok 183
180: ok 184
180: ok 185
180: ok 186
180: ok 187
180: ok 188
180: ok 189
180: ok 190
180: ok 191
180: ok 192
180: ok 193
180: ok 194
180: ok 195
180: ok 196
180: ok 197
180: ok 198
180: ok 199
180: ok 200
180: ok 201
180: ok 202
180: ok 203
180: ok 204
180: ok 205
180: ok 206
180: ok 207
180: ok 208
180: ok 209
180: ok 210
180: ok 211
180: ok 212
180: ok 213
180: ok 214
180: ok 215
180: ok 216
180: ok 217
180: ok 218
180: ok 219
180: ok 220
180: ok 221
180: ok 222
180: ok 223
180: ok 224
180: ok 225
180: ok 226
180: ok 227
180: ok 228
180: ok 229
180: ok 230
180: ok 231
180: ok 232
180: ok 233
180: ok 234
180: ok 235
180: ok 236
180: ok 237
180: ok 238
180: ok 239
180: ok 240
180: ok 241
180: ok 242
180: ok 243
180: ok 244
180: ok 245
180: ok 246
180: ok 247
180: ok 248
180: ok 249
180: ok 250
180: ok 251
180: ok 252
180: ok 253
180: ok 254
180: ok 255
180: ok 256
180: ok 257
180: ok 258
180: ok 259
180: ok 260
180: ok 261
180: ok 262
180: ok 263
180: ok 264
180: ok 265
180: ok 266
180: ok 267
180: ok 268
180: ok 269
180: ok 270
180: ok 271
180: ok 272
180: ok 273
180: ok 274
180: ok 275
180: ok 276
180: ok 277
180: ok 278
180: ok 279
180: ok 280
180: ok 281
180: ok 282
180: ok 283
180: ok 284
180: ok 285
180: ok 286
180: ok 287
180: ok 288
180: ok 289
180: ok 290
180: ok 291
180: ok 292
180: ok 293
180: ok 294
180: ok 295
180: ok 296
180: ok 297
180: ok 298
180: ok 299
180: ok 300
180: ok 301
180: ok 302
180: ok 303
180: ok 304
180: ok 305
180: ok 306
180: ok 307
180: ok 308
180: ok 309
180: ok 310
180: ok 311
180: ok 312
180: ok 313
180: ok 314
180: ok 315
180: ok 316
180: ok 317
180: ok 318
180: ok 319
180: ok 320
180: ok 321
180: ok 322
180: ok 323
180: ok 324
180: ok 325
180: ok 326
180: ok 327
180: ok 328
180: ok 329
180: ok 330
180: ok 331
180: ok 332
180: ok 333
180: ok 334
180: ok 335
180: ok 336
180: ok 337
180: ok 338
180: ok 339
180: ok 340
180: ok 341
180: ok 342
180: ok 343
180: ok 344
180: ok 345
180: ok 346
180: ok 347
180: ok 348
180: ok 349
180: ok 350
180: ok 351
180: ok 352
180: ok 353
180: ok 354
180: ok 355
180: ok 356
180: ok 357
180: ok 358
180: ok 359
180: ok 360
180: ok 361
180: ok 362
180: ok 363
180: ok 364
180: ok 365
180: ok 366
180: ok 367
180: ok 368
180: ok 369
180: ok 370
180: ok 371
180: ok 372
180: ok 373
180: ok 374
180: ok 375
180: ok 376
180: ok 377
180: ok 378
180: ok 379
180: ok 380
180: ok 381
180: ok 382
180: ok 383
180: ok 384
180: ok 385
180: ok 386
180: ok 387
180: ok 388
180: ok 389
180: ok 390
180: ok 391
180: ok 392
180: ok 393
180: ok 394
180: ok 395
180: ok 396
180: ok 397
180: ok 398
180: ok 399
180: ok 400
180: ok 401
180: ok 402
180: ok 403
180: ok 404
180: ok 405
180: ok 406
180: ok 407
180: ok 408
180: ok 409
180: ok 410
180: ok 411
180: ok 412
180: ok 413
180: ok 414
180: ok 415
180: ok 416
180: ok 417
180: ok 418
180: ok 419
180: ok 420
180: ok 421
180: ok 422
180: ok 423
180: ok 424
180: ok 425
180: ok 426
180: ok 427
180: ok 428
180: ok 429
180: ok 430
180: ok 431
180: ok 432
180: ok 433
180: ok 434
180: ok 435
180: ok 436
180: ok 437
180: ok 438
180: ok 439
180: ok 440
180: ok 441
180: ok 442
180: ok 443
180: ok 444
180: ok 445
180: ok 446
180: ok 447
180: ok 448
180: ok 449
180: ok 450
180: ok 451
180: ok 452
180: ok 453
180: ok 454
180: ok 455
180: ok 456
180: ok 457
180: ok 458
180: ok 459
180: ok 460
180: ok 461
180: ok 462
180: ok 463
180: ok 464
180: ok 465
180: ok 466
180: ok 467
180: ok 468
180: ok 469
180: ok 470
180: ok 471
180: ok 472
180: ok 473
180: ok 474
180: ok 475
180: ok 476
180: ok 477
180: ok 478
180: ok 479
180: ok 480
180: ok 481
180: ok 482
180: ok 483
180: ok 484
180: ok 485
180: ok 486
180: ok 487
180: ok 488
180: ok 489
180: ok 490
180: ok 491
180: ok 492
180: ok 493
180: ok 494
180: ok 495
180: ok 496
180: ok 497
180: ok 498
180: ok 499
180: ok 500
180: ok 501
180: ok 502
180: ok 503
180: ok 504
180: ok 505
180: ok 506
180: ok 507
180: ok 508
180: ok 509
180: ok 510
180: ok 511
180: ok 512
180: ok 513
180: ok 514
180: ok 515
180: ok 516
180: ok 517
180: ok 518
180: ok 519
180: ok 520
180: ok 521
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180: ok 525
180: ok 526
180: ok 527
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180: ok 529
180: ok 530
180: ok 531
180: ok 532
180: ok 533
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180: ok 535
180: ok 536
180: ok 537
180: ok 538
180: ok 539
180: ok 540
180: ok 541
180: ok 542
180: ok 543
180: ok 544
180: ok 545
180: ok 546
180: ok 547
180: ok 548
180: ok 549
180: ok 550
180: ok 551
180: ok 552
180: ok 553
180: ok 554
180: ok 555
180: ok 556
180: ok 557
180: ok 558
180: ok 559
180: ok 560
180: ok 561
180: ok 562
180: ok 563
180: ok 564
180: ok 565
180: ok 566
180: ok 567
180: ok 568
180: ok 569
180: ok 570
180: ok 571
180: ok 572
180: ok 573
180: ok 574
180: ok 575
180: ok 576
180: ok 577
180: ok 578
180: ok 579
180: ok 580
180: ok 581
180: ok 582
180: ok 583
180: ok 584
180: ok 585
180: ok 586
180: ok 587
180: ok 588
180: ok 589
180: ok 590
180: ok 591
180: ok 592
180: ok 593
180: ok 594
180: ok 595
180: ok 596
180: ok 597
180: ok 598
180: ok 599
180: ok 600
180: ok 601
180: ok 602
180: ok 603
180: ok 604
180: ok 605
180: ok 606
180: ok 607
180: ok 608
180: ok 609
180: ok 610
180: ok 611
180: ok 612
180: ok 613
180: ok 614
180: ok 615
180: ok 616
180: ok 617
180: ok 618
180: ok 619
180: ok 620
180: ok 621
180: ok 622
180: ok 623
180: ok 624
180: ok 625
180: ok 626
180: ok 627
180: ok 628
180: ok 629
180: ok 630
180: ok 631
180: ok 632
180: ok 633
180: ok 634
180: ok 635
180: ok 636
180: ok 637
180: ok 638
180: ok 639
180: ok 640
180: ok 641
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180: ok 645
180: ok 646
180: ok 647
180: ok 648
180: ok 649
180: ok 650
180: ok 651
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180: ok 653
180: ok 654
180: ok 655
180: ok 656
180: ok 657
180: ok 658
180: ok 659
180: ok 660
180: ok 661
180: ok 662
180: ok 663
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180: ok 665
180: ok 666
180: ok 667
180: ok 668
180: ok 669
180: ok 670
180: ok 671
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180: ok 673
180: ok 674
180: ok 675
180: ok 676
180: ok 677
180: ok 678
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180: ok 680
180: ok 681
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180: ok 684
180: ok 685
180: ok 686
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180: ok 688
180: ok 689
180: ok 690
180: ok 691
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180: ok 694
180: ok 695
180: ok 696
180: ok 697
180: ok 698
180: ok 699
180: ok 700
180: ok 701
180: ok 702
180: ok 703
180: ok 704
180: ok 705
180: ok 706
180: ok 707
180: ok 708
180: ok 709
180: ok 710
180: ok 711
180: ok 712
180: ok 713
180: ok 714
180: ok 715
180: ok 716
180: ok 717
180: ok 718
180: ok 719
180: ok 720
180: ok 721
180: ok 722
180: ok 723
180: ok 724
180: ok 725
180: ok 726
180: ok 727
180: ok 728
180: ok 729
180: ok 730
180: ok 731
180: ok 732
180: ok 733
180: ok 734
180: ok 735
180: ok 736
180: ok 737
180: ok 738
180: ok 739
180: ok 740
180: ok 741
180: ok 742
180: ok 743
180: ok 744
180: ok 745
180: ok 746
180: ok 747
180: ok 748
180: ok 749
180: ok 750
180: ok 751
180: ok 752
180: ok 753
180: ok 754
180: ok 755
180: ok 756
180: ok 757
180: ok 758
180: ok 759
180: ok 760
180: ok 761
180: ok 762
180: ok 763
180: ok 764
180: ok 765
180: ok 766
180: ok 767
180: ok 768
180: ok 769
180: ok 770
180: ok 771
180: ok 772
180: ok 773
180: ok 774
180: ok 775
180: ok 776
180: ok 777
180: ok 778
180: ok 779
180: ok 780
180: ok 781
180: ok 782
180: ok 783
180: ok 784
180: ok 785
180: ok 786
180: ok 787
180: ok 788
180: ok 789
180: ok 790
180: ok 791
180: ok 792
180: ok 793
180: ok 794
180: ok 795
180: ok 796
180: ok 797
180: ok 798
180: ok 799
180: ok 800
180: ok 801
180: ok 802
180: ok 803
180: ok 804
180: ok 805
180: ok 806
180: ok 807
180: ok 808
180: ok 809
180: ok 810
180: ok 811
180: ok 812
180: ok 813
180: ok 814
180: ok 815
180: ok 816
180: ok 817
180: ok 818
180: ok 819
180: ok 820
180: ok 821
180: ok 822
180: ok 823
180: ok 824
180: ok 825
180: ok 826
180: ok 827
180: ok 828
180: ok 829
180: ok 830
180: ok 831
180: ok 832
180: ok 833
180: ok 834
180: ok 835
180: ok 836
180: ok 837
180: ok 838
180: ok 839
180: ok 840
180: ok 841
180: ok 842
180: ok 843
180: ok 844
180: ok 845
180: ok 846
180: ok 847
180: ok 848
180: ok 849
180: ok 850
180: ok 851
180: ok 852
180: ok 853
180: ok 854
180: ok 855
180: ok 856
180: ok 857
180: ok 858
180: ok 859
180: ok 860
180: ok 861
180: ok 862
180: ok 863
180: ok 864
180: ok 865
180: ok 866
180: ok 867
180: ok 868
180: ok 869
180: ok 870
180: ok 871
180: ok 872
180: ok 873
180: ok 874
180: ok 875
180: ok 876
180: ok 877
180: ok 878
180: ok 879
180: ok 880
180: ok 881
180: ok 882
180: ok 883
180: ok 884
180: ok 885
180: ok 886
180: ok 887
180: ok 888
180: ok 889
180: ok 890
180: ok 891
180: ok 892
180: ok 893
180: ok 894
180: ok 895
180: ok 896
180: ok 897
180: ok 898
180: ok 899
180: ok 900
180: ok 901
180: ok 902
180: ok 903
180: ok 904
180: ok 905
180: ok 906
180: ok 907
180: ok 908
180: ok 909
180: ok 910
180: ok 911
180: ok 912
180: ok 913
180: ok 914
180: ok 915
180: ok 916
180: ok 917
180: ok 918
180: ok 919
180: ok 920
180: ok 921
180: ok 922
180: ok 923
180: ok 924
180: ok 925
180: ok 926
180: ok 927
180: ok 928
180: ok 929
180: ok 930
180: ok 931
180: ok 932
180: ok 933
180: ok 934
180: ok 935
180: ok 936
180: ok 937
180: ok 938
180: ok 939
180: ok 940
180: ok 941
180: ok 942
180: ok 943
180: ok 944
180: ok 945
180: ok 946
180: ok 947
180: ok 948
180: ok 949
180: ok 950
180: ok 951
180: ok 952
180: ok 953
180: ok 954
180: ok 955
180: ok 956
180: ok 957
180: ok 958
180: ok 959
180: ok 960
180: ok 961
180: ok 962
180: ok 963
180: ok 964
180: ok 965
180: ok 966
180: ok 967
180: ok 968
180: ok 969
180: ok 970
180: ok 971
180: ok 972
180: ok 973
180: ok 974
180: ok 975
180: ok 976
180: ok 977
180: ok 978
180: ok 979
180: ok 980
180: ok 981
180: ok 982
180: ok 983
180: ok 984
180: ok 985
180: ok 986
180: ok 987
180: ok 988
180: ok 989
180: ok 990
180: ok 991
180: ok 992
180: ok 993
180: ok 994
180: ok 995
180: ok 996
180: ok 997
180: ok 998
180: ok 999
180: ok 1000
180: ok 1001
180: ok 1002
180: ok 1003
180: ok 1004
180: ok 1005
180: ok 1006
180: ok 1007
180: ok 1008
180: ok 1009
180: ok 1010
180: ok 1011
180: ok 1012
180: ok 1013
180: ok 1014
180: ok 1015
180: ok 1016
180: ok 1017
180: ok 1018
180: ok 1019
180: ok 1020
180: ok 1021
180: ok 1022
180: ok 1023
180: ok 1024
180: ok 1025
180: ok 1026
180: ok 1027
180: ok 1028
180: ok 1029
180: ok 1030
180: ok 1031
180: ok 1032
180: ok 1033
180: ok 1034
180: ok 1035
180: ok 1036
180: ok 1037
180: ok 1038
180: ok 1039
180: ok 1040
180: ok 1041
180: ok 1042
180: ok 1043
180: ok 1044
180: ok 1045
180: ok 1046
180: ok 1047
180: ok 1048
180: ok 1049
180: ok 1050
180: ok 1051
180: ok 1052
180: ok 1053
180: ok 1054
180: ok 1055
180: ok 1056
180: ok 1057
180: ok 1058
180: ok 1059
180: ok 1060
180: ok 1061
180: ok 1062
180: ok 1063
180: ok 1064
180: ok 1065
180: ok 1066
180: ok 1067
180: ok 1068
180: ok 1069
180: ok 1070
180: ok 1071
180: ok 1072
180: ok 1073
180: ok 1074
180: ok 1075
180: ok 1076
180: ok 1077
180: ok 1078
180: ok 1079
180: ok 1080
180: ok 1081
180: ok 1082
180: ok 1083
180: ok 1084
180: ok 1085
180: ok 1086
180: ok 1087
180: ok 1088
180: ok 1089
180: ok 1090
180: ok 1091
180: ok 1092
180: ok 1093
180: ok 1094
180: ok 1095
180: ok 1096
180: ok 1097
180: ok 1098
180: ok 1099
180: ok 1100
180: ok 1101
180: ok 1102
180: ok 1103
180: ok 1104
180: ok 1105
180: ok 1106
180: ok 1107
180: ok 1108
180: ok 1109
180: ok 1110
180: ok 1111
180: ok 1112
180: ok 1113
180: ok 1114
180: ok 1115
180: ok 1116
180: ok 1117
180: ok 1118
180: ok 1119
180: ok 1120
180: ok 1121
180: ok 1122
180: ok 1123
180: ok 1124
180: ok 1125
180: ok 1126
180: ok 1127
180: ok 1128
180: ok 1129
180: ok 1130
180: ok 1131
180: ok 1132
180: ok 1133
180: ok 1134
180: ok 1135
180: ok 1136
180: ok 1137
180: ok 1138
180: ok 1139
180: ok 1140
180: ok 1141
180: ok 1142
180: ok 1143
180: ok 1144
180: ok 1145
180: ok 1146
180: ok 1147
180: ok 1148
180: ok 1149
180: ok 1150
180: ok 1151
180: ok 1152
180: ok 1153
180: ok 1154
180: ok 1155
180: ok 1156
180: ok 1157
180: ok 1158
180: ok 1159
180: ok 1160
180: ok 1161
180: ok 1162
180: ok 1163
180: ok 1164
180: ok 1165
180: ok 1166
180: ok 1167
180: ok 1168
180: ok 1169
180: ok 1170
180: ok 1171
180: ok 1172
180: ok 1173
180: ok 1174
180: ok 1175
180: ok 1176
180: ok 1177
180: ok 1178
180: ok 1179
180: ok 1180
180: ok 1181
180: ok 1182
180: ok 1183
180: ok 1184
180: ok 1185
180: ok 1186
180: ok 1187
180: ok 1188
180: ok 1189
180: ok 1190
180: ok 1191
180: ok 1192
180: ok 1193
180: ok 1194
180: ok 1195
180: ok 1196
180: ok 1197
180: ok 1198
180: ok 1199
180: ok 1200
180: ok 1201
180: ok 1202
180: ok 1203
180: ok 1204
180: ok 1205
180: ok 1206
180: ok 1207
180: ok 1208
180: ok 1209
180: ok 1210
180: ok 1211
180: ok 1212
180: ok 1213
180: ok 1214
180: ok 1215
180: ok 1216
180: ok 1217
180: ok 1218
180: ok 1219
180: ok 1220
180: ok 1221
180: ok 1222
180: ok 1223
180: ok 1224
180: ok 1225
180: ok 1226
180: ok 1227
180: ok 1228
180: ok 1229
180: ok 1230
180: ok 1231
180: ok 1232
180: ok 1233
180: ok 1234
180: ok 1235
180: ok 1236
180: ok 1237
180: ok 1238
180: ok 1239
180: ok 1240
180: ok 1241
180: ok 1242
180: ok 1243
180: ok 1244
180: ok 1245
180: ok 1246
180: ok 1247
180: ok 1248
180: ok 1249
180: ok 1250
180: ok 1251
180: ok 1252
180: ok 1253
180: ok 1254
180: ok 1255
180: ok 1256
180: ok 1257
180: ok 1258
180: ok 1259
180: ok 1260
180: ok 1261
180: ok 1262
180: ok 1263
180: ok 1264
180: ok 1265
180: ok 1266
180: ok 1267
180: ok 1268
180: ok 1269
180: ok 1270
180: ok 1271
180: ok 1272
180: ok 1273
180: ok 1274
180: ok 1275
180: ok 1276
180: ok 1277
180: ok 1278
180: ok 1279
180: ok 1280
180: ok 1281
180: ok 1282
180: ok 1283
180: ok 1284
180: ok 1285
180: ok 1286
180: ok 1287
180: ok 1288
180: ok 1289
180: ok 1290
180: ok 1291
180: ok 1292
180: ok 1293
180: ok 1294
180: ok 1295
180: ok 1296
180: ok 1297
180: ok 1298
180: ok 1299
180: ok 1300
180: ok 1301
180: ok 1302
180: ok 1303
180: ok 1304
180: ok 1305
180: ok 1306
180: ok 1307
180: ok 1308
180: ok 1309
180: ok 1310
180: ok 1311
180: ok 1312
180: ok 1313
180: ok 1314
180: ok 1315
180: ok 1316
180: ok 1317
180: ok 1318
180: ok 1319
180: ok 1320
180: ok 1321
180: ok 1322
180: ok 1323
180: ok 1324
180: ok 1325
180: ok 1326
180: ok 1327
180: ok 1328
180: ok 1329
180: ok 1330
180: ok 1331
180: ok 1332
180: ok 1333
180: ok 1334
180: ok 1335
180: ok 1336
180: ok 1337
180: ok 1338
180: ok 1339
180: ok 1340
180: ok 1341
180: ok 1342
180: ok 1343
180: ok 1344
180: ok 1345
180: ok 1346
180: ok 1347
180: ok 1348
180: ok 1349
180: ok 1350
180: ok 1351
180: ok 1352
180: ok 1353
180: ok 1354
180: ok 1355
180: ok 1356
180: ok 1357
180: ok 1358
180: ok 1359
180: ok 1360
180: ok 1361
180: ok 1362
180: ok 1363
180: ok 1364
180: ok 1365
180: ok 1366
180: ok 1367
180: ok 1368
180: ok 1369
180: ok 1370
180: ok 1371
180: ok 1372
180: ok 1373
180: ok 1374
180: ok 1375
180: ok 1376
180: ok 1377
180: ok 1378
180: ok 1379
180: ok 1380
180: ok 1381
180: ok 1382
180: ok 1383
180: ok 1384
180: ok 1385
180: ok 1386
180: ok 1387
180: ok 1388
180: ok 1389
180: ok 1390
180: ok 1391
180: ok 1392
180: ok 1393
180: ok 1394
180: ok 1395
180: ok 1396
180: ok 1397
180: ok 1398
180: ok 1399
180: ok 1400
180: ok 1401
180: ok 1402
180: ok 1403
180: ok 1404
180: ok 1405
180: ok 1406
180: ok 1407
180: ok 1408
180: ok 1409
180: ok 1410
180: ok 1411
180: ok 1412
180: ok 1413
180: ok 1414
180: ok 1415
180: ok 1416
180: ok 1417
180: ok 1418
180: ok 1419
180: ok 1420
180: ok 1421
180: ok 1422
180: ok 1423
180: ok 1424
180: ok 1425
180: ok 1426
180: ok 1427
180: ok 1428
180: ok 1429
180: ok 1430
180: ok 1431
180: ok 1432
180: ok 1433
180: ok 1434
180: ok 1435
180: ok 1436
180: ok 1437
180: ok 1438
180: ok 1439
180: ok 1440
180: ok 1441
180: ok 1442
180: ok 1443
180: ok 1444
180: ok 1445
180: ok 1446
180: ok 1447
180: ok 1448
180: ok 1449
180: ok 1450
180: ok 1451
180: ok 1452
180: ok 1453
180: ok 1454
180: ok 1455
180: ok 1456
180: ok 1457
180: ok 1458
180: ok 1459
180: ok 1460
180: ok 1461
180: ok 1462
180: ok 1463
180: ok 1464
180: ok 1465
180: ok 1466
180: ok 1467
180: ok 1468
180: ok 1469
180: ok 1470
180: ok 1471
180: ok 1472
180: ok 1473
180: ok 1474
180: ok 1475
180: ok 1476
180: ok 1477
180: ok 1478
180: ok 1479
180: ok 1480
180: ok 1481
180: ok 1482
180: ok 1483
180: ok 1484
180: ok 1485
180: ok 1486
180: ok 1487
180: ok 1488
180: ok 1489
180: ok 1490
180: ok 1491
180: ok 1492
180: ok 1493
180: ok 1494
180: ok 1495
180: ok 1496
180: ok 1497
180: ok 1498
180: ok 1499
180: ok 1500
180: ok 1501
180: ok 1502
180: ok 1503
180: ok 1504
180: ok 1505
180: ok 1506
180: ok 1507
180: ok 1508
180: ok 1509
180: ok 1510
180: ok 1511
180: ok 1512
180: ok 1513
180: ok 1514
180: ok 1515
180: ok 1516
180: ok 1517
180: ok 1518
180: ok 1519
180: ok 1520
180: ok 1521
180: ok 1522
180: ok 1523
180: ok 1524
180: ok 1525
180: ok 1526
180: ok 1527
180: ok 1528
180: ok 1529
180: ok 1530
180: ok 1531
180: ok 1532
180: ok 1533
180: ok 1534
180: ok 1535
180: ok 1536
180: ok 1537
180: ok 1538
180: ok 1539
180: ok 1540
180: ok 1541
180: ok 1542
180: ok 1543
180: ok 1544
180: ok 1545
180: ok 1546
180: ok 1547
180: ok 1548
180: ok 1549
180: ok 1550
180: ok 1551
180: ok 1552
180: ok 1553
180: ok 1554
180: ok 1555
180: ok 1556
180: ok 1557
180: ok 1558
180: ok 1559
180: ok 1560
180: ok 1561
180: ok 1562
180: ok 1563
180: ok 1564
180: ok 1565
180: ok 1566
180: ok 1567
180: ok 1568
180: ok 1569
180: ok 1570
180: ok 1571
180: ok 1572
180: ok 1573
180: ok 1574
180: ok 1575
180: ok 1576
180: ok 1577
180: ok 1578
180: ok 1579
180: ok 1580
180: ok 1581
180: ok 1582
180: ok 1583
180: ok 1584
180: ok 1585
180: ok 1586
180: ok 1587
180: ok 1588
180: ok 1589
180: ok 1590
180: ok 1591
180: ok 1592
180: ok 1593
180: ok 1594
180: ok 1595
180: ok 1596
180: ok 1597
180: ok 1598
180: ok 1599
180: ok 1600
180: ok 1601
180: ok 1602
180: ok 1603
180: ok 1604
180: ok 1605
180: ok 1606
180: ok 1607
180: ok 1608
180: ok 1609
180: ok 1610
180: ok 1611
180: ok 1612
180: ok 1613
180: ok 1614
180: ok 1615
180: ok 1616
180: ok 1617
180: ok 1618
180: ok 1619
180: ok 1620
180: ok 1621
180: ok 1622
180: ok 1623
180: ok 1624
180: ok 1625
180: ok 1626
180: ok 1627
180: ok 1628
180: ok 1629
180: ok 1630
180: ok 1631
180: ok 1632
180: ok 1633
180: ok 1634
180: ok 1635
180: ok 1636
180: ok 1637
180: ok 1638
180: ok 1639
180: ok 1640
180: ok 1641
180: ok 1642
180: ok 1643
180: ok 1644
180: ok 1645
180: ok 1646
180: ok 1647
180: ok 1648
180: ok 1649
180: ok 1650
180: ok 1651
180: ok 1652
180: ok 1653
180: ok 1654
180: ok 1655
180: ok 1656
180: ok 1657
180: ok 1658
180: ok 1659
180: ok 1660
180: ok 1661
180: ok 1662
180: ok 1663
180: ok 1664
180: ok 1665
180: ok 1666
180: ok 1667
180: ok 1668
180: ok 1669
180: ok 1670
180: ok 1671
180: ok 1672
180: ok 1673
180: ok 1674
180: ok 1675
180: ok 1676
180: ok 1677
180: ok 1678
180: ok 1679
180: ok 1680
180: ok 1681
180: ok 1682
180: ok 1683
180: ok 1684
180: ok 1685
180: ok 1686
180: ok 1687
180: ok 1688
180: ok 1689
180: ok 1690
180: ok 1691
180: ok 1692
180: ok 1693
180: ok 1694
180: ok 1695
180: ok 1696
180: ok 1697
180: ok 1698
180: ok 1699
180: ok 1700
180: ok 1701
180: ok 1702
180: ok 1703
180: ok 1704
180: ok 1705
180: ok 1706
180: ok 1707
180: ok 1708
180: ok 1709
180: ok 1710
180: ok 1711
180: ok 1712
180: ok 1713
180: ok 1714
180: ok 1715
180: ok 1716
180: ok 1717
180: ok 1718
180: ok 1719
180: ok 1720
180: ok 1721
180: ok 1722
180: ok 1723
180: ok 1724
180: ok 1725
180: ok 1726
180: ok 1727
180: ok 1728
180: ok 1729
180: ok 1730
180: ok 1731
180: ok 1732
180: ok 1733
180: ok 1734
180: ok 1735
180: ok 1736
180: ok 1737
180: ok 1738
180: ok 1739
180: ok 1740
180: ok 1741
180: ok 1742
180: ok 1743
180: ok 1744
180: ok 1745
180: ok 1746
180: ok 1747
180: ok 1748
180: ok 1749
180: ok 1750
180: ok 1751
180: ok 1752
180: ok 1753
180: ok 1754
180: ok 1755
180: ok 1756
180: ok 1757
180: ok 1758
180: ok 1759
180: ok 1760
180: ok 1761
180: ok 1762
180: ok 1763
180: ok 1764
180: ok 1765
180: ok 1766
180: ok 1767
180: ok 1768
180: ok 1769
180: ok 1770
180: ok 1771
180: ok 1772
180: ok 1773
180: ok 1774
180: ok 1775
180: ok 1776
180: ok 1777
180: ok 1778
180: ok 1779
180: ok 1780
180: ok 1781
180: ok 1782
180: ok 1783
180: ok 1784
180: ok 1785
180: ok 1786
180: ok 1787
180: ok 1788
180: ok 1789
180: ok 1790
180: ok 1791
180: ok 1792
180: ok 1793
180: ok 1794
180: ok 1795
180: ok 1796
180: ok 1797
180: ok 1798
180: ok 1799
180: ok 1800
180: ok 1801
180: ok 1802
180: ok 1803
180: ok 1804
180: ok 1805
180: ok 1806
180: ok 1807
180: ok 1808
180: ok 1809
180: ok 1810
180: ok 1811
180: ok 1812
180: ok 1813
180: ok 1814
180: ok 1815
180: ok 1816
180: ok 1817
180: ok 1818
180: ok 1819
180: ok 1820
180: ok 1821
180: ok 1822
180: ok 1823
180: ok 1824
180: ok 1825
180: ok 1826
180: ok 1827
180: ok 1828
180: ok 1829
180: ok 1830
180: ok 1831
180: ok 1832
180: ok 1833
180: ok 1834
180: ok 1835
180: ok 1836
180: ok 1837
180: ok 1838
180: ok 1839
180: ok 1840
180: ok 1841
180: ok 1842
180: ok 1843
180: ok 1844
180: ok 1845
180: ok 1846
180: ok 1847
180: ok 1848
180: ok 1849
180: ok 1850
180: ok 1851
180: ok 1852
180: ok 1853
180: ok 1854
180: ok 1855
180: ok 1856
180: ok 1857
180: ok 1858
180: ok 1859
180: ok 1860
180: ok 1861
180: ok 1862
180: ok 1863
180: ok 1864
180: ok 1865
180: ok 1866
180: ok 1867
180: ok 1868
180: ok 1869
180: ok 1870
180: ok 1871
180: ok 1872
180: ok 1873
180: ok 1874
180: ok 1875
180: ok 1876
180: ok 1877
180: ok 1878
180: ok 1879
180: ok 1880
180: ok 1881
180: ok 1882
180: ok 1883
180: ok 1884
180: ok 1885
180: ok 1886
180: ok 1887
180: ok 1888
180: ok 1889
180: ok 1890
180: ok 1891
180: ok 1892
180: ok 1893
180: ok 1894
180: ok 1895
180: ok 1896
180: ok 1897
180: ok 1898
180: ok 1899
180: ok 1900
180: ok 1901
180: ok 1902
180: ok 1903
180: ok 1904
180: ok 1905
180: ok 1906
180: ok 1907
180: ok 1908
180: ok 1909
180: ok 1910
180: ok 1911
180: ok 1912
180: ok 1913
180: ok 1914
180: ok 1915
180: ok 1916
180: ok 1917
180: ok 1918
180: ok 1919
180: ok 1920
180: ok 1921
180: ok 1922
180: ok 1923
180: ok 1924
180: ok 1925
180: ok 1926
180: ok 1927
180: ok 1928
180: ok 1929
180: ok 1930
180: ok 1931
180: ok 1932
180: ok 1933
180: ok 1934
180: ok 1935
180: ok 1936
180: ok 1937
180: ok 1938
180: ok 1939
180: ok 1940
180: ok 1941
180: ok 1942
180: ok 1943
180: ok 1944
180: ok 1945
180: ok 1946
180: ok 1947
180: ok 1948
180: ok 1949
180: ok 1950
180: ok 1951
180: ok 1952
180: ok 1953
180: ok 1954
180: ok 1955
180: ok 1956
180: ok 1957
180: ok 1958
180: ok 1959
180: ok 1960
180: ok 1961
180: ok 1962
180: ok 1963
180: ok 1964
180: ok 1965
180: ok 1966
180: ok 1967
180: ok 1968
180: ok 1969
180: ok 1970
180: ok 1971
180: ok 1972
180: ok 1973
180: ok 1974
180: ok 1975
180: ok 1976
180: ok 1977
180: ok 1978
180: ok 1979
180: ok 1980
180: ok 1981
180: ok 1982
180: ok 1983
180: ok 1984
180: ok 1985
180: ok 1986
180: ok 1987
180: ok 1988
180: ok 1989
180: ok 1990
180: ok 1991
180: ok 1992
180: ok 1993
180: ok 1994
180: ok 1995
180: ok 1996
180: ok 1997
180: ok 1998
180: ok 1999
180: ok 2000
180: ok 2001
180: ok 2002
180: ok 2003
180: ok 2004
180: ok 2005
180: ok 2006
180: ok 2007
180: ok 2008
180: ok 2009
180: ok 2010
180: ok 2011
180: ok 2012
180: ok 2013
180: ok 2014
180: ok 2015
180: ok 2016
180: ok 2017
180: ok 2018
180: ok 2019
180: ok 2020
180: ok 2021
180: ok 2022
180: ok 2023
180: ok 2024
180: ok 2025
180: ok 2026
180: ok 2027
180: ok 2028
180: ok 2029
180: ok 2030
180: ok 2031
180: ok 2032
180: ok 2033
180: ok 2034
180: ok 2035
180: ok 2036
180: ok 2037
180: ok 2038
180: ok 2039
180: ok 2040
180: ok 2041
180: ok 2042
180: ok 2043
180: ok 2044
180: ok 2045
180: ok 2046
180: ok 2047
180: ok 2048
180: ok 2049
180: ok 2050
180: ok 2051
180: ok 2052
180: ok 2053
180: ok 2054
180: ok 2055
180: ok 2056
180: ok 2057
180: ok 2058
180: ok 2059
180: ok 2060
180: ok 2061
180: ok 2062
180: ok 2063
180: ok 2064
180: ok 2065
180: ok 2066
180: ok 2067
180: ok 2068
180: ok 2069
180: ok 2070
180: ok 2071
180: ok 2072
180: ok 2073
180: ok 2074
180: ok 2075
180: ok 2076
180: ok 2077
180: ok 2078
180: ok 2079
180: ok 2080
180: ok 2081
180: ok 2082
180: ok 2083
180: ok 2084
180: ok 2085
180: ok 2086
180: ok 2087
180: ok 2088
180: ok 2089
180: ok 2090
180: ok 2091
180: ok 2092
180: ok 2093
180: ok 2094
180: ok 2095
180: ok 2096
180: ok 2097
180: ok 2098
180: ok 2099
180: ok 2100
180: ok 2101
180: ok 2102
180: ok 2103
180: ok 2104
180: ok 2105
180: ok 2106
180: ok 2107
180: ok 2108
180: ok 2109
180: ok 2110
180: ok 2111
180: ok 2112
180: ok 2113
180: ok 2114
180: ok 2115
180: ok 2116
180: ok 2117
180: ok 2118
180: ok 2119
180: ok 2120
180: ok 2121
180: ok 2122
180: ok 2123
180: ok 2124
180: ok 2125
180: ok 2126
180: ok 2127
180: ok 2128
180: ok 2129
180: ok 2130
180: ok 2131
180: ok 2132
180: ok 2133
180: ok 2134
180: ok 2135
180: ok 2136
180: ok 2137
180: ok 2138
180: ok 2139
180: ok 2140
180: ok 2141
180: ok 2142
180: ok 2143
180: ok 2144
180: ok 2145
180: ok 2146
180: ok 2147
180: ok 2148
180: ok 2149
180: ok 2150
180: ok 2151
180: ok 2152
180: ok 2153
180: ok 2154
180: ok 2155
180: ok 2156
180: ok 2157
180: ok 2158
180: ok 2159
180: ok 2160
180: ok 2161
180: ok 2162
180: ok 2163
180: ok 2164
180: ok 2165
180: ok 2166
180: ok 2167
180: ok 2168
180: ok 2169
180: ok 2170
180: ok 2171
180: ok 2172
180: ok 2173
180: ok 2174
180: ok 2175
180: ok 2176
180: ok 2177
180: ok 2178
180: ok 2179
180: ok 2180
180: ok 2181
180: ok 2182
180: ok 2183
180: ok 2184
180: ok 2185
180: ok 2186
180: ok 2187
180: ok 2188
180: ok 2189
180: ok 2190
180: ok 2191
180: ok 2192
180: ok 2193
180: ok 2194
180: ok 2195
180: ok 2196
180: ok 2197
180: ok 2198
180: ok 2199
180: ok 2200
180: ok 2201
180: ok 2202
180: ok 2203
180: ok 2204
180: ok 2205
180: ok 2206
180: ok 2207
180: ok 2208
180: ok 2209
180: ok 2210
180: ok 2211
180: ok 2212
180: ok 2213
180: ok 2214
180: ok 2215
180: ok 2216
180: ok 2217
180: ok 2218
180: ok 2219
180: ok 2220
180: ok 2221
180: ok 2222
180: ok 2223
180: ok 2224
180: ok 2225
180: ok 2226
180: ok 2227
180: ok 2228
180: ok 2229
180: ok 2230
180: ok 2231
180: ok 2232
180: ok 2233
180: ok 2234
180: ok 2235
180: ok 2236
180: ok 2237
180: ok 2238
180: ok 2239
180: ok 2240
180: ok 2241
180: ok 2242
180: ok 2243
180: ok 2244
180: ok 2245
180: ok 2246
180: ok 2247
180: ok 2248
180: ok 2249
180: ok 2250
180: ok 2251
180: ok 2252
180: ok 2253
180: ok 2254
180: ok 2255
180: ok 2256
180: ok 2257
180: ok 2258
180: ok 2259
180: ok 2260
180: ok 2261
180: ok 2262
180: ok 2263
180: ok 2264
180: ok 2265
180: ok 2266
180: ok 2267
180: ok 2268
180: ok 2269
180: ok 2270
180: ok 2271
180: ok 2272
180: ok 2273
180: ok 2274
180: ok 2275
180: ok 2276
180: ok 2277
180: ok 2278
180: ok 2279
180: ok 2280
180: ok 2281
180: ok 2282
180: ok 2283
180: ok 2284
180: ok 2285
180: ok 2286
180: ok 2287
180: ok 2288
180: ok 2289
180: ok 2290
180: ok 2291
180: ok 2292
180: ok 2293
180: ok 2294
180: ok 2295
180: ok 2296
180: ok 2297
180: ok 2298
180: ok 2299
180: ok 2300
180: ok 2301
180: ok 2302
180: ok 2303
180: ok 2304
180: ok 2305
180: ok 2306
180: ok 2307
180: ok 2308
180: ok 2309
180: ok 2310
180: ok 2311
180: ok 2312
180: ok 2313
180: ok 2314
180: ok 2315
180: ok 2316
180: ok 2317
180: ok 2318
180: ok 2319
180: ok 2320
180: ok 2321
180: ok 2322
180: ok 2323
180: ok 2324
180: ok 2325
180: ok 2326
180: ok 2327
180: ok 2328
180: ok 2329
180: ok 2330
180: ok 2331
180: ok 2332
180: ok 2333
180: ok 2334
180: ok 2335
180: ok 2336
180: ok 2337
180: ok 2338
180: ok 2339
180: ok 2340
180: ok 2341
180: ok 2342
180: ok 2343
180: ok 2344
180: ok 2345
180: ok 2346
180: ok 2347
180: ok 2348
180: ok 2349
180: ok 2350
180: ok 2351
180: ok 2352
180: ok 2353
180: ok 2354
180: ok 2355
180: ok 2356
180: ok 2357
180: ok 2358
180: ok 2359
180: ok 2360
180: ok 2361
180: ok 2362
180: ok 2363
180: ok 2364
180: ok 2365
180: ok 2366
180: ok 2367
180: ok 2368
180: ok 2369
180: ok 2370
180: ok 2371
180: ok 2372
180: ok 2373
180: ok 2374
180: ok 2375
180: ok 2376
180: ok 2377
180: ok 2378
180: ok 2379
180: ok 2380
180: ok 2381
180: ok 2382
180: ok 2383
180: ok 2384
180: ok 2385
180: ok 2386
180: ok 2387
180: ok 2388
180: ok 2389
180: ok 2390
180: ok 2391
180: ok 2392
180: ok 2393
180: ok 2394
180: ok 2395
180: ok 2396
180: ok 2397
180: ok 2398
180: ok 2399
180: ok 2400
180: ok 2401
180: ok 2402
180: ok 2403
180: ok 2404
180: ok 2405
180: ok 2406
180: ok 2407
180: ok 2408
180: ok 2409
180: ok 2410
180: ok 2411
180: ok 2412
180: ok 2413
180: ok 2414
180: ok 2415
180: ok 2416
180: ok 2417
180: ok 2418
180: ok 2419
180: ok 2420
180: ok 2421
180: ok 2422
180: ok 2423
180: ok 2424
180: ok 2425
180: ok 2426
180: ok 2427
180: ok 2428
180: ok 2429
180: ok 2430
180: ok 2431
180: ok 2432
180: ok 2433
180: ok 2434
180: ok 2435
180: ok 2436
180: ok 2437
180: ok 2438
180: ok 2439
180: ok 2440
180: ok 2441
180: ok 2442
180: ok 2443
180: ok 2444
180: ok 2445
180: ok 2446
180: ok 2447
180: ok 2448
180: ok 2449
180: ok 2450
180: ok 2451
180: ok 2452
180: ok 2453
180: ok 2454
180: ok 2455
180: ok 2456
180: ok 2457
180: ok 2458
180: ok 2459
180: ok 2460
180: ok 2461
180: ok 2462
180: ok 2463
180: ok 2464
180: ok 2465
180: ok 2466
180: ok 2467
180: ok 2468
180: ok 2469
180: ok 2470
180: ok 2471
180: ok 2472
180: ok 2473
180: ok 2474
180: ok 2475
180: ok 2476
180: ok 2477
180: ok 2478
180: ok 2479
180: ok 2480
180: ok 2481
180: ok 2482
180: ok 2483
180: ok 2484
180: ok 2485
180: ok 2486
180: ok 2487
180: ok 2488
180: ok 2489
180: ok 2490
180: ok 2491
180: ok 2492
180: ok 2493
180: ok 2494
180: ok 2495
180: ok 2496
180: ok 2497
180: ok 2498
180: ok 2499
180: ok 2500
180: ok 2501
180: ok 2502
180: ok 2503
180: ok 2504
180: ok 2505
180: ok 2506
180: ok 2507
180: ok 2508
180: ok 2509
180: ok 2510
180: ok 2511
180: ok 2512
180: ok 2513
180: ok 2514
180: ok 2515
180: ok 2516
180: ok 2517
180: ok 2518
180: ok 2519
180: ok 2520
180: ok 2521
180: ok 2522
180: ok 2523
180: ok 2524
180: ok 2525
180: ok 2526
180: ok 2527
180: ok 2528
180: ok 2529
180: ok 2530
180: ok 2531
180: ok 2532
180: ok 2533
180: ok 2534
180: ok 2535
180: ok 2536
180: ok 2537
180: ok 2538
180: ok 2539
180: ok 2540
180: ok 2541
180: ok 2542
180: ok 2543
180: ok 2544
180: ok 2545
180: ok 2546
180: ok 2547
180: ok 2548
180: ok 2549
180: ok 2550
180: ok 2551
180: ok 2552
180: ok 2553
180: ok 2554
180: ok 2555
180: ok 2556
180: ok 2557
180: ok 2558
180: ok 2559
180: ok 2560
180: ok 2561
180: ok 2562
180: ok 2563
180: ok 2564
180: ok 2565
180: ok 2566
180: ok 2567
180: ok 2568
180: ok 2569
180: ok 2570
180: ok 2571
180: ok 2572
180: ok 2573
180: ok 2574
180: ok 2575
180: ok 2576
180: ok 2577
180: ok 2578
180: ok 2579
180: ok 2580
180: ok 2581
180: ok 2582
180: ok 2583
180: ok 2584
180: ok 2585
180: ok 2586
180: ok 2587
180: ok 2588
180: ok 2589
180: ok 2590
180: ok 2591
180: ok 2592
180: ok 2593
180: ok 2594
180: ok 2595
180: ok 2596
180: ok 2597
180: ok 2598
180: ok 2599
180: ok 2600
180: ok 2601
180: ok 2602
180: ok 2603
180: ok 2604
180: ok 2605
180: ok 2606
180: ok 2607
180: ok 2608
180: ok 2609
180: ok 2610
180: ok 2611
180: ok 2612
180: ok 2613
180: ok 2614
180: ok 2615
180: ok 2616
180: ok 2617
180: ok 2618
180: ok 2619
180: ok 2620
180: ok 2621
180: ok 2622
180: ok 2623
180: ok 2624
180: ok 2625
180: ok 2626
180: ok 2627
180: ok 2628
180: ok 2629
180: ok 2630
180: ok 2631
180: ok 2632
180: ok 2633
180: ok 2634
180: ok 2635
180: ok 2636
180: ok 2637
180: ok 2638
180: ok 2639
180: ok 2640
180: ok 2641
180: ok 2642
180: ok 2643
180: ok 2644
180: ok 2645
180: ok 2646
180: ok 2647
180: ok 2648
180: ok 2649
180: ok 2650
180: ok 2651
180: ok 2652
180: ok 2653
180: ok 2654
180: ok 2655
180: ok 2656
180: ok 2657
180: ok 2658
180: ok 2659
180: ok 2660
180: ok 2661
180: ok 2662
180: ok 2663
180: ok 2664
180: ok 2665
180: ok 2666
180: ok 2667
180: ok 2668
180: ok 2669
180: ok 2670
180: ok 2671
180: ok 2672
180: ok 2673
180: ok 2674
180: ok 2675
180: ok 2676
180: ok 2677
180: ok 2678
180: ok 2679
180: ok 2680
180: ok 2681
180: ok 2682
180: ok 2683
180: ok 2684
180: ok 2685
180: ok 2686
180: ok 2687
180: ok 2688
180: ok 2689
180: ok 2690
180: ok 2691
180: ok 2692
180: ok 2693
180: ok 2694
180: ok 2695
180: ok 2696
180: ok 2697
180: ok 2698
180: ok 2699
180: ok 2700
180: ok 2701
180: ok 2702
180: ok 2703
180: ok 2704
180: ok 2705
180: ok 2706
180: ok 2707
180: ok 2708
180: ok 2709
180: ok 2710
180: ok 2711
180: ok 2712
180: ok 2713
180: ok 2714
180: ok 2715
180: ok 2716
180: ok 2717
180: ok 2718
180: ok 2719
180: ok 2720
180: ok 2721
180: ok 2722
180: ok 2723
180: ok 2724
180: ok 2725
180: ok 2726
180: ok 2727
180: ok 2728
180: ok 2729
180: ok 2730
180: ok 2731
180: ok 2732
180: ok 2733
180: ok 2734
180: ok 2735
180: ok 2736
180: ok 2737
180: ok 2738
180: ok 2739
180: ok 2740
180: ok 2741
180: ok 2742
180: ok 2743
180: ok 2744
180: ok 2745
180: ok 2746
180: ok 2747
180: ok 2748
180: ok 2749
180: ok 2750
180: ok 2751
180: ok 2752
180: ok 2753
180: ok 2754
180: ok 2755
180: ok 2756
180: ok 2757
180: ok 2758
180: ok 2759
180: ok 2760
180: ok 2761
180: ok 2762
180: ok 2763
180: ok 2764
180: ok 2765
180: ok 2766
180: ok 2767
180: ok 2768
180: ok 2769
180: ok 2770
180: ok 2771
180: ok 2772
180: ok 2773
180: ok 2774
180: ok 2775
180: ok 2776
180: ok 2777
180: ok 2778
180: ok 2779
180: ok 2780
180: ok 2781
180: ok 2782
180: ok 2783
180: ok 2784
180: ok 2785
180: ok 2786
180: ok 2787
180: ok 2788
180: ok 2789
180: ok 2790
180: ok 2791
180: ok 2792
180: ok 2793
180: ok 2794
180: ok 2795
180: ok 2796
180: ok 2797
180: ok 2798
180: ok 2799
180: ok 2800
180: ok 2801
180: ok 2802
180: ok 2803
180: ok 2804
180: ok 2805
180: ok 2806
180: ok 2807
180: ok 2808
180: ok 2809
180: ok 2810
180: ok 2811
180: ok 2812
180: ok 2813
180: ok 2814
180: ok 2815
180: ok 2816
180: ok 2817
180: ok 2818
180: ok 2819
180: ok 2820
180: ok 2821
180: ok 2822
180: ok 2823
180: ok 2824
180: ok 2825
180: ok 2826
180: ok 2827
180: ok 2828
180: ok 2829
180: ok 2830
180: ok 2831
180: ok 2832
180: ok 2833
180: ok 2834
180: ok 2835
180: ok 2836
180: ok 2837
180: ok 2838
180: ok 2839
180: ok 2840
180: ok 2841
180: ok 2842
180: ok 2843
180: ok 2844
180: ok 2845
180: ok 2846
180: ok 2847
180: ok 2848
180: ok 2849
180: ok 2850
180: ok 2851
180: ok 2852
180: ok 2853
180: ok 2854
180: ok 2855
180: ok 2856
180: ok 2857
180: ok 2858
180: ok 2859
180: ok 2860
180: ok 2861
180: ok 2862
180: ok 2863
180: ok 2864
180: ok 2865
180: ok 2866
180: ok 2867
180: ok 2868
180: ok 2869
180: ok 2870
180: ok 2871
180: ok 2872
180: ok 2873
180: ok 2874
180: ok 2875
180: ok 2876
180: ok 2877
180: ok 2878
180: ok 2879
180: ok 2880
180: ok 2881
180: ok 2882
180: ok 2883
180: ok 2884
180: ok 2885
180: ok 2886
180: ok 2887
180: ok 2888
180: ok 2889
180: ok 2890
180: ok 2891
180: ok 2892
180: ok 2893
180: ok 2894
180: ok 2895
180: ok 2896
180: ok 2897
180: ok 2898
180: ok 2899
180: ok 2900
180: ok 2901
180: ok 2902
180: ok 2903
180: ok 2904
180: ok 2905
180: ok 2906
180: ok 2907
180: ok 2908
180: ok 2909
180: ok 2910
180: ok 2911
180: ok 2912
180: ok 2913
180: ok 2914
180: ok 2915
180: ok 2916
180: ok 2917
180: ok 2918
180: ok 2919
180: ok 2920
180: ok 2921
180: ok 2922
180: ok 2923
180: ok 2924
180: ok 2925
180: ok 2926
180: ok 2927
180: ok 2928
180: ok 2929
180: ok 2930
180: ok 2931
180: ok 2932
180: ok 2933
180: ok 2934
180: ok 2935
180: ok 2936
180: ok 2937
180: ok 2938
180: ok 2939
180: ok 2940
180: ok 2941
180: ok 2942
180: ok 2943
180: ok 2944
180: ok 2945
180: ok 2946
180: ok 2947
180: ok 2948
180: ok 2949
180: ok 2950
180: ok 2951
180: ok 2952
180: ok 2953
180: ok 2954
180: ok 2955
180: ok 2956
180: ok 2957
180: ok 2958
180: ok 2959
180: ok 2960
180: ok 2961
180: ok 2962
180: ok 2963
180: ok 2964
180: ok 2965
180: ok 2966
180: ok 2967
180: ok 2968
180: ok 2969
180: ok 2970
180: ok 2971
180: ok 2972
180: ok 2973
180: ok 2974
180: ok 2975
180: ok 2976
180: ok 2977
180: ok 2978
180: ok 2979
180: ok 2980
180: ok 2981
180: ok 2982
180: ok 2983
180: ok 2984
180: ok 2985
180: ok 2986
180: ok 2987
180: ok 2988
180: ok 2989
180: ok 2990
180: ok 2991
180: ok 2992
180: ok 2993
180: ok 2994
180: ok 2995
180: ok 2996
180: ok 2997
180: ok 2998
180: ok 2999
180: ok 3000
180: ok 3001
180: ok 3002
180: ok 3003
180: ok 3004
180: ok 3005
180: ok 3006
180: ok 3007
180: ok 3008
180: ok 3009
180: ok 3010
180: ok 3011
180: ok 3012
180: ok 3013
180: ok 3014
180: ok 3015
180: ok 3016
180: ok 3017
180: ok 3018
180: ok 3019
180: ok 3020
180: ok 3021
180: ok 3022
180: ok 3023
180: ok 3024
180: ok 3025
180: ok 3026
180: ok 3027
180: ok 3028
180: ok 3029
180: ok 3030
180: ok 3031
180: ok 3032
180: ok 3033
180: ok 3034
180: ok 3035
180: ok 3036
180: ok 3037
180: ok 3038
180: ok 3039
180: ok 3040
180: ok 3041
180: ok 3042
180: ok 3043
180: ok 3044
180: ok 3045
180: ok 3046
180: ok 3047
180: ok 3048
180: ok 3049
180: ok 3050
180: ok 3051
180: ok 3052
180: ok 3053
180: ok 3054
180: ok 3055
180: ok 3056
180: ok 3057
180: ok 3058
180: ok 3059
180: ok 3060
180: ok 3061
180: ok 3062
180: ok 3063
180: ok 3064
180: ok 3065
180: ok 3066
180: ok 3067
180: ok 3068
180: ok 3069
180: ok 3070
180: ok 3071
180: ok 3072
180: ok 3073
180: ok 3074
180: ok 3075
180: ok 3076
180: ok 3077
180: ok 3078
180: ok 3079
180: ok 3080
180: ok 3081
180: ok 3082
180: ok 3083
180: ok 3084
180: ok 3085
180: ok 3086
180: ok 3087
180: ok 3088
180: ok 3089
180: ok 3090
180: ok 3091
180: ok 3092
180: ok 3093
180: ok 3094
180: ok 3095
180: ok 3096
180: ok 3097
180: ok 3098
180: ok 3099
180: ok 3100
180: ok 3101
180: ok 3102
180: ok 3103
180: ok 3104
180: ok 3105
180: ok 3106
180: ok 3107
180: ok 3108
180: ok 3109
180: ok 3110
180: ok 3111
180: ok 3112
180: ok 3113
180: ok 3114
180: ok 3115
180: ok 3116
180: ok 3117
180: ok 3118
180: ok 3119
180: ok 3120
180: ok 3121
180: ok 3122
180: ok 3123
180: ok 3124
180: ok 3125
180: ok 3126
180: ok 3127
180: ok 3128
180: ok 3129
180: ok 3130
180: ok 3131
180: ok 3132
180: ok 3133
180: ok 3134
180: ok 3135
180: ok 3136
180: ok 3137
180: ok 3138
180: ok 3139
180: ok 3140
180: ok 3141
180: ok 3142
180: ok 3143
180: ok 3144
180: ok 3145
180: ok 3146
180: ok 3147
180: ok 3148
180: ok 3149
180: ok 3150
180: ok 3151
180: ok 3152
180: ok 3153
180: ok 3154
180: ok 3155
180: ok 3156
180: ok 3157
180: ok 3158
180: ok 3159
180: ok 3160
180: ok 3161
180: ok 3162
180: ok 3163
180: ok 3164
180: ok 3165
180: ok 3166
180: ok 3167
180: ok 3168
180: ok 3169
180: ok 3170
180: ok 3171
180: ok 3172
180: ok 3173
180: ok 3174
180: ok 3175
180: ok 3176
180: ok 3177
180: ok 3178
180: ok 3179
180: ok 3180
180: ok 3181
180: ok 3182
180: ok 3183
180: ok 3184
180: ok 3185
180: ok 3186
180: ok 3187
180: ok 3188
180: ok 3189
180: ok 3190
180: ok 3191
180: ok 3192
180: ok 3193
180: ok 3194
180: ok 3195
180: ok 3196
180: ok 3197
180: ok 3198
180: ok 3199
180: ok 3200
180: ok 3201
180: ok 3202
180: ok 3203
180: ok 3204
180: ok 3205
180: ok 3206
180: ok 3207
180: ok 3208
180: ok 3209
180: ok 3210
180: ok 3211
180: ok 3212
180: ok 3213
180: ok 3214
180: ok 3215
180: ok 3216
180: ok 3217
180: ok 3218
180: ok 3219
180: ok 3220
180: ok 3221
180: ok 3222
180: ok 3223
180: ok 3224
180: ok 3225
180: ok 3226
180: ok 3227
180: ok 3228
180: ok 3229
180: ok 3230
180: ok 3231
180: ok 3232
180: ok 3233
180: ok 3234
180: ok 3235
180: ok 3236
180: ok 3237
180: ok 3238
180: ok 3239
180: ok 3240
180: ok 3241
180: ok 3242
180: ok 3243
180: ok 3244
180: ok 3245
180: ok 3246
180: ok 3247
180: ok 3248
180: ok 3249
180: ok 3250
180: ok 3251
180: ok 3252
180: ok 3253
180: ok 3254
180: ok 3255
180: ok 3256
180: ok 3257
180: ok 3258
180: ok 3259
180: ok 3260
180: ok 3261
180: ok 3262
180: ok 3263
180: ok 3264
180: ok 3265
180: ok 3266
180: ok 3267
180: ok 3268
180: ok 3269
180: ok 3270
180: ok 3271
180: ok 3272
180: ok 3273
180: ok 3274
180: ok 3275
180: ok 3276
180: ok 3277
180: ok 3278
180: ok 3279
180: ok 3280
180: ok 3281
180: ok 3282
180: ok 3283
180: ok 3284
180: ok 3285
180: ok 3286
180: ok 3287
180: ok 3288
180: ok 3289
180: ok 3290
180: ok 3291
180: ok 3292
180: ok 3293
180: ok 3294
180: ok 3295
180: ok 3296
180: ok 3297
180: ok 3298
180: ok 3299
180: ok 3300
180: ok 3301
180: ok 3302
180: ok 3303
180: ok 3304
180: ok 3305
180: ok 3306
180: ok 3307
180: ok 3308
180: ok 3309
180: ok 3310
180: ok 3311
180: ok 3312
180: ok 3313
180: ok 3314
180: ok 3315
180: ok 3316
180: ok 3317
180: ok 3318
180: ok 3319
180: ok 3320
180: ok 3321
180: ok 3322
180: ok 3323
180: ok 3324
180: ok 3325
180: ok 3326
180: ok 3327
180: ok 3328
180: ok 3329
180: ok 3330
180: ok 3331
180: ok 3332
180: ok 3333
180: ok 3334
180: ok 3335
180: ok 3336
180: ok 3337
180: ok 3338
180: ok 3339
180: ok 3340
180: ok 3341
180: ok 3342
180: ok 3343
180: ok 3344
180: ok 3345
180: ok 3346
180: ok 3347
180: ok 3348
180: ok 3349
180: ok 3350
180: ok 3351
180: ok 3352
180: ok 3353
180: ok 3354
180: ok 3355
180: ok 3356
180: ok 3357
180: ok 3358
180: ok 3359
180: ok 3360
180: ok 3361
180: ok 3362
180: ok 3363
180: ok 3364
180: ok 3365
180: ok 3366
180: ok 3367
180: ok 3368
180: ok 3369
180: ok 3370
180: ok 3371
180: ok 3372
180: ok 3373
180: ok 3374
180: ok 3375
180: ok 3376
180: ok 3377
180: ok 3378
180: ok 3379
180: ok 3380
180: ok 3381
180: ok 3382
180: ok 3383
180: ok 3384
180: ok 3385
180: ok 3386
180: ok 3387
180: ok 3388
180: ok 3389
180: ok 3390
180: ok 3391
180: ok 3392
180: ok 3393
180: ok 3394
180: ok 3395
180: ok 3396
180: ok 3397
180: ok 3398
180: ok 3399
180: ok 3400
180: ok 3401
180: ok 3402
180: ok 3403
180: ok 3404
180: ok 3405
180: ok 3406
180: ok 3407
180: ok 3408
180: ok 3409
180: ok 3410
180: ok 3411
180: ok 3412
180: ok 3413
180: ok 3414
180: ok 3415
180: ok 3416
180: ok 3417
180: ok 3418
180: ok 3419
180: ok 3420
180: ok 3421
180: ok 3422
180: ok 3423
180: ok 3424
180: ok 3425
180: ok 3426
180: ok 3427
180: ok 3428
180: ok 3429
180: ok 3430
180: ok 3431
180: ok 3432
180: ok 3433
180: ok 3434
180: ok 3435
180: ok 3436
180: ok 3437
180: ok 3438
180: ok 3439
180: ok 3440
180: ok 3441
180: ok 3442
180: ok 3443
180: ok 3444
180: ok 3445
180: ok 3446
180: ok 3447
180: ok 3448
180: ok 3449
180: ok 3450
180: ok 3451
180: ok 3452
180: ok 3453
180: ok 3454
180: ok 3455
180: ok 3456
180: ok 3457
180: ok 3458
180: ok 3459
180: ok 3460
180: ok 3461
180: ok 3462
180: ok 3463
180: ok 3464
180: ok 3465
180: ok 3466
180: ok 3467
180: ok 3468
180: ok 3469
180: ok 3470
180: ok 3471
180: ok 3472
180: ok 3473
180: ok 3474
180: ok 3475
180: ok 3476
180: ok 3477
180: ok 3478
180: ok 3479
180: ok 3480
180: ok 3481
180: ok 3482
180: ok 3483
180: ok 3484
180: ok 3485
180: ok 3486
180: ok 3487
180: ok 3488
180: ok 3489
180: ok 3490
180: ok 3491
180: ok 3492
180: ok 3493
180: ok 3494
180: ok 3495
180: ok 3496
180: ok 3497
180: ok 3498
180: ok 3499
180: ok 3500
180: ok 3501
180: ok 3502
180: ok 3503
180: ok 3504
180: ok 3505
180: ok 3506
180: ok 3507
180: ok 3508
180: ok 3509
180: ok 3510
180: ok 3511
180: ok 3512
180: ok 3513
180: ok 3514
180: ok 3515
180: ok 3516
180: ok 3517
180: ok 3518
180: ok 3519
180: ok 3520
180: ok 3521
180: ok 3522
180: ok 3523
180: ok 3524
180: ok 3525
180: ok 3526
180: ok 3527
180: ok 3528
180: ok 3529
180: ok 3530
180: ok 3531
180: ok 3532
180: ok 3533
180: ok 3534
180: ok 3535
180: ok 3536
180: ok 3537
180: ok 3538
180: ok 3539
180: ok 3540
180: ok 3541
180: ok 3542
180: ok 3543
180: ok 3544
180: ok 3545
180: ok 3546
180: ok 3547
180: ok 3548
180: ok 3549
180: ok 3550
180: ok 3551
180: ok 3552
180: ok 3553
180: ok 3554
180: ok 3555
180: ok 3556
180: ok 3557
180: ok 3558
180: ok 3559
180: ok 3560
180: ok 3561
180: ok 3562
180: ok 3563
180: ok 3564
180: ok 3565
180: ok 3566
180: ok 3567
180: ok 3568
180: ok 3569
180: ok 3570
180: ok 3571
180: ok 3572
180: ok 3573
180: ok 3574
180: ok 3575
180: ok 3576
180: ok 3577
180: ok 3578
180: ok 3579
180: ok 3580
180: ok 3581
180: ok 3582
180: ok 3583
180: ok 3584
180: ok 3585
180: ok 3586
180: ok 3587
180: ok 3588
180: ok 3589
180: ok 3590
180: ok 3591
180: ok 3592
180: ok 3593
180: ok 3594
180: ok 3595
180: ok 3596
180: ok 3597
180: ok 3598
180: ok 3599
180: ok 3600
180: ok 3601
180: ok 3602
180: ok 3603
180: ok 3604
180: ok 3605
180: ok 3606
180: ok 3607
180: ok 3608
180: ok 3609
180: ok 3610
180: ok 3611
180: ok 3612
180: ok 3613
180: ok 3614
180: ok 3615
180: ok 3616
180: ok 3617
180: ok 3618
180: ok 3619
180: ok 3620
180: ok 3621
180: ok 3622
180: ok 3623
180: ok 3624
180: ok 3625
180: ok 3626
180: ok 3627
180: ok 3628
180: ok 3629
180: ok 3630
180: ok 3631
180: ok 3632
180: ok 3633
180: ok 3634
180: ok 3635
180: ok 3636
180: ok 3637
180: ok 3638
180: ok 3639
180: ok 3640
180: ok 3641
180: ok 3642
180: ok 3643
180: ok 3644
180: ok 3645
180: ok 3646
180: ok 3647
180: ok 3648
180: ok 3649
180: ok 3650
180: ok 3651
180: ok 3652
180: ok 3653
180: ok 3654
180: ok 3655
180: ok 3656
180: ok 3657
180: ok 3658
180: ok 3659
180: ok 3660
180: ok 3661
180: ok 3662
180: ok 3663
180: ok 3664
180: ok 3665
180: ok 3666
180: ok 3667
180: ok 3668
180: ok 3669
180: ok 3670
180: ok 3671
180: ok 3672
180: ok 3673
180: ok 3674
180: ok 3675
180: ok 3676
180: ok 3677
180: ok 3678
180: ok 3679
180: ok 3680
180: ok 3681
180: ok 3682
180: ok 3683
180: ok 3684
180: ok 3685
180: ok 3686
180: ok 3687
180: ok 3688
180: ok 3689
180: ok 3690
180: ok 3691
180: ok 3692
180: ok 3693
180: ok 3694
180: ok 3695
180: ok 3696
180: ok 3697
180: ok 3698
180: ok 3699
180: ok 3700
180: ok 3701
180: ok 3702
180: ok 3703
180: ok 3704
180: ok 3705
180: ok 3706
180: ok 3707
180: ok 3708
180: ok 3709
180: ok 3710
180: ok 3711
180: ok 3712
180: ok 3713
180: ok 3714
180: ok 3715
180: ok 3716
180: ok 3717
180: ok 3718
180: ok 3719
180: ok 3720
180: ok 3721
180: ok 3722
180: ok 3723
180: ok 3724
180: ok 3725
180: ok 3726
180: ok 3727
180: ok 3728
180: ok 3729
180: ok 3730
180: ok 3731
180: ok 3732
180: ok 3733
180: ok 3734
180: ok 3735
180: ok 3736
180: ok 3737
180: ok 3738
180: ok 3739
180: ok 3740
180: ok 3741
180: ok 3742
180: ok 3743
180: ok 3744
180: ok 3745
180: ok 3746
180: ok 3747
180: ok 3748
180: ok 3749
180: ok 3750
180: ok 3751
180: ok 3752
180: ok 3753
180: ok 3754
180: ok 3755
180: ok 3756
180: ok 3757
180: ok 3758
180: ok 3759
180: ok 3760
180: ok 3761
180: ok 3762
180: ok 3763
180: ok 3764
180: ok 3765
180: ok 3766
180: ok 3767
180: ok 3768
180: ok 3769
180: ok 3770
180: ok 3771
180: ok 3772
180: ok 3773
180: ok 3774
180: ok 3775
180: ok 3776
180: ok 3777
180: ok 3778
180: ok 3779
180: ok 3780
180: ok 3781
180: ok 3782
180: ok 3783
180: ok 3784
180: ok 3785
180: ok 3786
180: ok 3787
180: ok 3788
180: ok 3789
180: ok 3790
180: ok 3791
180: ok 3792
180: ok 3793
180: ok 3794
180: ok 3795
180: ok 3796
180: ok 3797
180: ok 3798
180: ok 3799
180: ok 3800
180: ok 3801
180: ok 3802
180: ok 3803
180: ok 3804
180: ok 3805
180: ok 3806
180: ok 3807
180: ok 3808
180: ok 3809
180: ok 3810
180: ok 3811
180: ok 3812
180: ok 3813
180: ok 3814
180: ok 3815
180: ok 3816
180: ok 3817
180: ok 3818
180: ok 3819
180: ok 3820
180: ok 3821
180: ok 3822
180: ok 3823
180: ok 3824
180: ok 3825
180: ok 3826
180: ok 3827
180: ok 3828
180: ok 3829
180: ok 3830
180: ok 3831
180: ok 3832
180: ok 3833
180: ok 3834
180: ok 3835
180: ok 3836
180: ok 3837
180: ok 3838
180: ok 3839
180: ok 3840
180: ok 3841
180: ok 3842
180: ok 3843
180: ok 3844
180: ok 3845
180: ok 3846
180: ok 3847
180: ok 3848
180: ok 3849
180: ok 3850
180: ok 3851
180: ok 3852
180: ok 3853
180: ok 3854
180: ok 3855
180: ok 3856
180: ok 3857
180: ok 3858
180: ok 3859
180: ok 3860
180: ok 3861
180: ok 3862
180: ok 3863
180: ok 3864
180: ok 3865
180: ok 3866
180: ok 3867
180: ok 3868
180: ok 3869
180: ok 3870
180: ok 3871
180: ok 3872
180: ok 3873
180: ok 3874
180: ok 3875
180: ok 3876
180: ok 3877
180: ok 3878
180: ok 3879
180: ok 3880
180: ok 3881
180: ok 3882
180: ok 3883
180: ok 3884
180: ok 3885
180: ok 3886
180: ok 3887
180: ok 3888
180: ok 3889
180: ok 3890
180: ok 3891
180: ok 3892
180: ok 3893
180: ok 3894
180: ok 3895
180: ok 3896
180: ok 3897
180: ok 3898
180: ok 3899
180: ok 3900
180: ok 3901
180: ok 3902
180: ok 3903
180: ok 3904
180: ok 3905
180: ok 3906
180: ok 3907
180: ok 3908
180: ok 3909
180: ok 3910
180: ok 3911
180: ok 3912
180: ok 3913
180: ok 3914
180: ok 3915
180: ok 3916
180: ok 3917
180: ok 3918
180: ok 3919
180: ok 3920
180: ok 3921
180: ok 3922
180: ok 3923
180: ok 3924
180: ok 3925
180: ok 3926
180: ok 3927
180: ok 3928
180: ok 3929
180: ok 3930
180: ok 3931
180: ok 3932
180: ok 3933
180: ok 3934
180: ok 3935
180: ok 3936
180: ok 3937
180: ok 3938
180: ok 3939
180: ok 3940
180: ok 3941
180: ok 3942
180: ok 3943
180: ok 3944
180: ok 3945
180: ok 3946
180: ok 3947
180: ok 3948
180: ok 3949
180: ok 3950
180: ok 3951
180: ok 3952
180: ok 3953
180: ok 3954
180: ok 3955
180: ok 3956
180: ok 3957
180: ok 3958
180: ok 3959
180: ok 3960
180: ok 3961
180: ok 3962
180: ok 3963
180: ok 3964
180: ok 3965
180: ok 3966
180: ok 3967
180: ok 3968
180: ok 3969
180: ok 3970
180: ok 3971
180: ok 3972
180: ok 3973
180: ok 3974
180: ok 3975
180: ok 3976
180: ok 3977
180: ok 3978
180: ok 3979
180: ok 3980
180: ok 3981
180: ok 3982
180: ok 3983
180: ok 3984
180: ok 3985
180: ok 3986
180: ok 3987
180: ok 3988
180: ok 3989
180: ok 3990
180: ok 3991
180: ok 3992
180: ok 3993
180: ok 3994
180: ok 3995
180: ok 3996
180: ok 3997
180: ok 3998
180: ok 3999
180: ok 4000
180: ok 4001
180: ok 4002
180: ok 4003
180: ok 4004
180: ok 4005
180: ok 4006
180: ok 4007
180: ok 4008
180: ok 4009
180: ok 4010
180: ok 4011
180: ok 4012
180: ok 4013
180: ok 4014
180: ok 4015
180: ok 4016
180: ok 4017
180: ok 4018
180: ok 4019
180: ok 4020
180: ok 4021
180: ok 4022
180: ok 4023
180: ok 4024
180: ok 4025
180: ok 4026
180: ok 4027
180: ok 4028
180: ok 4029
180: ok 4030
180: ok 4031
180: ok 4032
180: ok 4033
180: ok 4034
180: ok 4035
180: ok 4036
180: ok 4037
180: ok 4038
180: ok 4039
180: ok 4040
180: ok 4041
180: ok 4042
180: ok 4043
180: ok 4044
180: ok 4045
180: ok 4046
180: ok 4047
180: ok 4048
180: ok 4049
180: ok 4050
180: ok 4051
180: ok 4052
180: ok 4053
180: ok 4054
180: ok 4055
180: ok 4056
180: ok 4057
180: ok 4058
180: ok 4059
180: ok 4060
180: ok 4061
180: ok 4062
180: ok 4063
180: ok 4064
180: ok 4065
180: ok 4066
180: ok 4067
180: ok 4068
180: ok 4069
180: ok 4070
180: ok 4071
180: ok 4072
180: ok 4073
180: ok 4074
180: ok 4075
180: ok 4076
180: ok 4077
180: ok 4078
180: ok 4079
180: ok 4080
180: ok 4081
180: ok 4082
180: ok 4083
180: ok 4084
180: ok 4085
180: ok 4086
180: ok 4087
180: ok 4088
180: ok 4089
180: ok 4090
180: ok 4091
180: ok 4092
180: ok 4093
180: ok 4094
180: ok 4095
180: ok 4096
180: ok 4097
180: ok 4098
180: ok 4099
180: ok 4100
180: ok 4101
180: ok 4102
180: ok 4103
180: ok 4104
180: ok 4105
180: ok 4106
180: ok 4107
180: ok 4108
180: ok 4109
180: ok 4110
180: ok 4111
180: ok 4112
180: ok 4113
180: ok 4114
180: ok 4115
180: ok 4116
180: ok 4117
180: ok 4118
180: ok 4119
180: ok 4120
180: ok 4121
180: ok 4122
180: ok 4123
180: ok 4124
180: ok 4125
180: ok 4126
180: ok 4127
180: ok 4128
180: ok 4129
180: ok 4130
180: ok 4131
180: ok 4132
180: ok 4133
180: ok 4134
180: ok 4135
180: ok 4136
180: ok 4137
180: ok 4138
180: ok 4139
180: ok 4140
180: ok 4141
180: ok 4142
180: ok 4143
180: ok 4144
180: ok 4145
180: ok 4146
180: ok 4147
180: ok 4148
180: ok 4149
180: ok 4150
180: ok 4151
180: ok 4152
180: ok 4153
180: ok 4154
180: ok 4155
180: ok 4156
180: ok 4157
180: ok 4158
180: ok 4159
180: ok 4160
180: ok 4161
180: ok 4162
180: ok 4163
180: ok 4164
180: ok 4165
180: ok 4166
180: ok 4167
180: ok 4168
180: ok 4169
180: ok 4170
180: ok 4171
180: ok 4172
180: ok 4173
180: ok 4174
180: ok 4175
180: ok 4176
180: ok 4177
180: ok 4178
180: ok 4179
180: ok 4180
180: ok 4181
180: ok 4182
180: ok 4183
180: ok 4184
180: ok 4185
180: ok 4186
180: ok 4187
180: ok 4188
180: ok 4189
180: ok 4190
180: ok 4191
180: ok 4192
180: ok 4193
180: ok 4194
180: ok 4195
180: ok 4196
180: ok 4197
180: ok 4198
180: ok 4199
180: ok 4200
180: ok 4201
180: ok 4202
180: ok 4203
180: ok 4204
180: ok 4205
180: ok 4206
180: ok 4207
180: ok 4208
180: ok 4209
180: ok 4210
180: ok 4211
180: ok 4212
180: ok 4213
180: ok 4214
180: ok 4215
180: ok 4216
180: ok 4217
180: ok 4218
180: ok 4219
180: ok 4220
180: ok 4221
180: ok 4222
180: ok 4223
180: ok 4224
180: ok 4225
180: ok 4226
180: ok 4227
180: ok 4228
180: ok 4229
180: ok 4230
180: ok 4231
180: ok 4232
180: ok 4233
180: ok 4234
180: ok 4235
180: ok 4236
180: ok 4237
180: ok 4238
180: ok 4239
180: ok 4240
180: ok 4241
180: ok 4242
180: ok 4243
180: ok 4244
180: ok 4245
180: ok 4246
180: ok 4247
180: ok 4248
180: ok 4249
180: ok 4250
180: ok 4251
180: ok 4252
180: ok 4253
180: ok 4254
180: ok 4255
180: ok 4256
180: ok 4257
180: ok 4258
180: ok 4259
180: ok 4260
180: ok 4261
180: ok 4262
180: ok 4263
180: ok 4264
180: ok 4265
180: ok 4266
180: ok 4267
180: ok 4268
180: ok 4269
180: ok 4270
180: ok 4271
180: ok 4272
180: ok 4273
180: ok 4274
180: ok 4275
180: ok 4276
180: ok 4277
180: ok 4278
180: ok 4279
180: ok 4280
180: ok 4281
180: ok 4282
180: ok 4283
180: ok 4284
180: ok 4285
180: ok 4286
180: ok 4287
180: ok 4288
180: ok 4289
180: ok 4290
180: ok 4291
180: ok 4292
180: ok 4293
180: ok 4294
180: ok 4295
180: ok 4296
180: ok 4297
180: ok 4298
180: ok 4299
180: ok 4300
180: ok 4301
180: ok 4302
180: ok 4303
180: ok 4304
180: ok 4305
180: ok 4306
180: ok 4307
180: ok 4308
180: ok 4309
180: ok 4310
180: ok 4311
180: ok 4312
180: ok 4313
180: ok 4314
180: ok 4315
180: ok 4316
180: ok 4317
180: ok 4318
180: ok 4319
180: ok 4320
180: ok 4321
180: ok 4322
180: ok 4323
180: ok 4324
180: ok 4325
180: ok 4326
180: ok 4327
180: ok 4328
180: ok 4329
180: ok 4330
180: ok 4331
180: ok 4332
180: ok 4333
180: ok 4334
180: ok 4335
180: ok 4336
180: ok 4337
180: ok 4338
180: ok 4339
180: ok 4340
180: ok 4341
180: ok 4342
180: ok 4343
180: ok 4344
180: ok 4345
180: ok 4346
180: ok 4347
180: ok 4348
180: ok 4349
180: ok 4350
180: ok 4351
180: ok 4352
180: ok 4353
180: ok 4354
180: ok 4355
180: ok 4356
180: ok 4357
180: ok 4358
180: ok 4359
180: ok 4360
180: ok 4361
180: ok 4362
180: ok 4363
180: ok 4364
180: ok 4365
180: ok 4366
180: ok 4367
180: ok 4368
180: ok 4369
180: ok 4370
180: ok 4371
180: ok 4372
180: ok 4373
180: ok 4374
180: ok 4375
180: ok 4376
180: ok 4377
180: ok 4378
180: ok 4379
180: ok 4380
180: ok 4381
180: ok 4382
180: ok 4383
180: ok 4384
180: ok 4385
180: ok 4386
180: ok 4387
180: ok 4388
180: ok 4389
180: ok 4390
180: ok 4391
180: ok 4392
180: ok 4393
180: ok 4394
180: ok 4395
180: ok 4396
180: ok 4397
180: ok 4398
180: ok 4399
180: ok 4400
180: ok 4401
180: ok 4402
180: ok 4403
180: ok 4404
180: ok 4405
180: ok 4406
180: ok 4407
180: ok 4408
180: ok 4409
180: ok 4410
180: ok 4411
180: ok 4412
180: ok 4413
180: ok 4414
180: ok 4415
180: ok 4416
180: ok 4417
180: ok 4418
180: ok 4419
180: ok 4420
180: ok 4421
180: ok 4422
180: ok 4423
180: ok 4424
180: ok 4425
180: ok 4426
180: ok 4427
180: ok 4428
180: ok 4429
180: ok 4430
180: ok 4431
180: ok 4432
180: ok 4433
180: ok 4434
180: ok 4435
180: ok 4436
180: ok 4437
180: ok 4438
180: ok 4439
180: ok 4440
180: ok 4441
180: ok 4442
180: ok 4443
180: ok 4444
180: ok 4445
180: ok 4446
180: ok 4447
180: ok 4448
180: ok 4449
180: ok 4450
180: ok 4451
180: ok 4452
180: ok 4453
180: ok 4454
180: ok 4455
180: ok 4456
180: ok 4457
180: ok 4458
180: ok 4459
180: ok 4460
180: ok 4461
180: ok 4462
180: ok 4463
180: ok 4464
180: ok 4465
180: ok 4466
180: ok 4467
180: ok 4468
180: ok 4469
180: ok 4470
180: ok 4471
180: ok 4472
180: ok 4473
180: ok 4474
180: ok 4475
180: ok 4476
180: ok 4477
180: ok 4478
180: ok 4479
180: ok 4480
180: ok 4481
180: ok 4482
180: ok 4483
180: ok 4484
180: ok 4485
180: ok 4486
180: ok 4487
180: ok 4488
180: ok 4489
180: ok 4490
180: ok 4491
180: ok 4492
180: ok 4493
180: ok 4494
180: ok 4495
180: ok 4496
180: ok 4497
180: ok 4498
180: ok 4499
180: ok 4500
180: ok 4501
180: ok 4502
180: ok 4503
180: ok 4504
180: ok 4505
180: ok 4506
180: ok 4507
180: ok 4508
180: ok 4509
180: ok 4510
180: ok 4511
180: ok 4512
180: ok 4513
180: ok 4514
180: ok 4515
180: ok 4516
180: ok 4517
180: ok 4518
180: ok 4519
180: ok 4520
180: ok 4521
180: ok 4522
180: ok 4523
180: ok 4524
180: ok 4525
180: ok 4526
180: ok 4527
180: ok 4528
180: ok 4529
180: ok 4530
180: ok 4531
180: ok 4532
180: ok 4533
180: ok 4534
180: ok 4535
180: ok 4536
180: ok 4537
180: ok 4538
180: ok 4539
180: ok 4540
180: ok 4541
180: ok 4542
180: ok 4543
180: ok 4544
180: ok 4545
180: ok 4546
180: ok 4547
180: ok 4548
180: ok 4549
180: ok 4550
180: ok 4551
180: ok 4552
180: ok 4553
180: ok 4554
180: ok 4555
180: ok 4556
180: ok 4557
180: ok 4558
180: ok 4559
180: ok 4560
180: ok 4561
180: ok 4562
180: ok 4563
180: ok 4564
180: ok 4565
180: ok 4566
180: ok 4567
180: ok 4568
180: ok 4569
180: ok 4570
180: ok 4571
180: ok 4572
180: ok 4573
180: ok 4574
180: ok 4575
180: ok 4576
180: ok 4577
180: ok 4578
180: ok 4579
180: ok 4580
180: ok 4581
180: ok 4582
180: ok 4583
180: ok 4584
180: ok 4585
180: ok 4586
180: ok 4587
180: ok 4588
180: ok 4589
180: ok 4590
180: ok 4591
180: ok 4592
180: ok 4593
180: ok 4594
180: ok 4595
180: ok 4596
180: ok 4597
180: ok 4598
180: ok 4599
180: ok 4600
180: ok 4601
180: ok 4602
180: ok 4603
180: ok 4604
180: ok 4605
180: ok 4606
180: ok 4607
180: ok 4608
180: ok 4609
180: ok 4610
180: ok 4611
180: ok 4612
180: ok 4613
180: ok 4614
180: ok 4615
180: ok 4616
180: ok 4617
180: ok 4618
180: ok 4619
180: ok 4620
180: ok 4621
180: ok 4622
180: ok 4623
180: ok 4624
180: ok 4625
180: ok 4626
180: ok 4627
180: ok 4628
180: ok 4629
180: ok 4630
180: ok 4631
180: ok 4632
180: ok 4633
180: ok 4634
180: ok 4635
180: ok 4636
180: ok 4637
180: ok 4638
180: ok 4639
180: ok 4640
180: ok 4641
180: ok 4642
180: ok 4643
180: ok 4644
180: ok 4645
180: ok 4646
180: ok 4647
180: ok 4648
180: ok 4649
180: ok 4650
180: ok 4651
180: ok 4652
180: ok 4653
180: ok 4654
180: ok 4655
180: ok 4656
180: ok 4657
180: ok 4658
180: ok 4659
180: ok 4660
180: ok 4661
180: ok 4662
180: ok 4663
180: ok 4664
180: ok 4665
180: ok 4666
180: ok 4667
180: ok 4668
180: ok 4669
180: ok 4670
180: ok 4671
180: ok 4672
180: ok 4673
180: ok 4674
180: ok 4675
180: ok 4676
180: ok 4677
180: ok 4678
180: ok 4679
180: ok 4680
180: ok 4681
180: ok 4682
180: ok 4683
180: ok 4684
180: ok 4685
180: ok 4686
180: ok 4687
180: ok 4688
180: ok 4689
180: ok 4690
180: ok 4691
180: ok 4692
180: ok 4693
180: ok 4694
180: ok 4695
180: ok 4696
180: ok 4697
180: ok 4698
180: ok 4699
180: ok 4700
180: ok 4701
180: ok 4702
180: ok 4703
180: ok 4704
180: ok 4705
180: ok 4706
180: ok 4707
180: ok 4708
180: ok 4709
180: ok 4710
180: ok 4711
180: ok 4712
180: ok 4713
180: ok 4714
180: ok 4715
180: ok 4716
180: ok 4717
180: ok 4718
180: ok 4719
180: ok 4720
180: ok 4721
180: ok 4722
180: ok 4723
180: ok 4724
180: ok 4725
180: ok 4726
180: ok 4727
180: ok 4728
180: ok 4729
180: ok 4730
180: ok 4731
180: ok 4732
180: ok 4733
180: ok 4734
180: ok 4735
180: ok 4736
180: ok 4737
180: ok 4738
180: ok 4739
180: ok 4740
180: ok 4741
180: ok 4742
180: ok 4743
180: ok 4744
180: ok 4745
180: ok 4746
180: ok 4747
180: ok 4748
180: ok 4749
180: ok 4750
180: ok 4751
180: ok 4752
180: ok 4753
180: ok 4754
180: ok 4755
180: ok 4756
180: ok 4757
180: ok 4758
180: ok 4759
180: ok 4760
180: ok 4761
180: ok 4762
180: ok 4763
180: ok 4764
180: ok 4765
180: ok 4766
180: ok 4767
180: ok 4768
180: ok 4769
180: ok 4770
180: ok 4771
180: ok 4772
180: ok 4773
180: ok 4774
180: ok 4775
180: ok 4776
180: ok 4777
180: ok 4778
180: ok 4779
180: ok 4780
180: ok 4781
180: ok 4782
180: ok 4783
180: ok 4784
180: ok 4785
180: ok 4786
180: ok 4787
180: ok 4788
180: ok 4789
180: ok 4790
180: ok 4791
180: ok 4792
180: ok 4793
180: ok 4794
180: ok 4795
180: ok 4796
180: ok 4797
180: ok 4798
180: ok 4799
180: ok 4800
180: ok 4801
180: ok 4802
180: ok 4803
180: ok 4804
180: ok 4805
180: ok 4806
180: ok 4807
180: ok 4808
180: ok 4809
180: ok 4810
180: ok 4811
180: ok 4812
180: ok 4813
180: ok 4814
180: ok 4815
180: ok 4816
180: ok 4817
180: ok 4818
180: ok 4819
180: ok 4820
180: ok 4821
180: ok 4822
180: ok 4823
180: ok 4824
180: ok 4825
180: ok 4826
180: ok 4827
180: ok 4828
180: ok 4829
180: ok 4830
180: ok 4831
180: ok 4832
180: ok 4833
180: ok 4834
180: ok 4835
180: ok 4836
180: ok 4837
180: ok 4838
180: ok 4839
180: ok 4840
180: ok 4841
180: ok 4842
180: ok 4843
180: ok 4844
180: ok 4845
180: ok 4846
180: ok 4847
180: ok 4848
180: ok 4849
180: ok 4850
180: ok 4851
180: ok 4852
180: ok 4853
180: ok 4854
180: ok 4855
180: ok 4856
180: ok 4857
180: ok 4858
180: ok 4859
180: ok 4860
180: ok 4861
180: ok 4862
180: ok 4863
180: ok 4864
180: ok 4865
180: ok 4866
180: ok 4867
180: ok 4868
180: ok 4869
180: ok 4870
180: ok 4871
180: ok 4872
180: ok 4873
180: ok 4874
180: ok 4875
180: ok 4876
180: ok 4877
180: ok 4878
180: ok 4879
180: ok 4880
180: ok 4881
180: ok 4882
180: ok 4883
180: ok 4884
180: ok 4885
180: ok 4886
180: ok 4887
180: ok 4888
180: ok 4889
180: ok 4890
180: ok 4891
180: ok 4892
180: ok 4893
180: ok 4894
180: ok 4895
180: ok 4896
180: ok 4897
180: ok 4898
180: ok 4899
180: ok 4900
180: ok 4901
180: ok 4902
180: ok 4903
180: ok 4904
180: ok 4905
180: ok 4906
180: ok 4907
180: ok 4908
180: ok 4909
180: ok 4910
180: ok 4911
180: ok 4912
180: ok 4913
180: ok 4914
180: ok 4915
180: ok 4916
180: ok 4917
180: ok 4918
180: ok 4919
180: ok 4920
180: ok 4921
180: ok 4922
180: ok 4923
180: ok 4924
180: ok 4925
180: ok 4926
180: ok 4927
180: ok 4928
180: ok 4929
180: ok 4930
180: ok 4931
180: ok 4932
180: ok 4933
180: ok 4934
180: ok 4935
180: ok 4936
180: ok 4937
180: ok 4938
180: ok 4939
180: ok 4940
180: ok 4941
180: ok 4942
180: ok 4943
180: ok 4944
180: ok 4945
180: ok 4946
180: ok 4947
180: ok 4948
180: ok 4949
180: ok 4950
180: ok 4951
180: ok 4952
180: ok 4953
180: ok 4954
180: ok 4955
180: ok 4956
180: ok 4957
180: ok 4958
180: ok 4959
180: ok 4960
180: ok 4961
180: ok 4962
180: ok 4963
180: ok 4964
180: ok 4965
180: ok 4966
180: ok 4967
180: ok 4968
180: ok 4969
180: ok 4970
180: ok 4971
180: ok 4972
180: ok 4973
180: ok 4974
180: ok 4975
180: ok 4976
180: ok 4977
180: ok 4978
180: ok 4979
180: ok 4980
180: ok 4981
180: ok 4982
180: ok 4983
180: ok 4984
180: ok 4985
180: ok 4986
180: ok 4987
180: ok 4988
180: ok 4989
180: ok 4990
180: ok 4991
180: ok 4992
180: ok 4993
180: ok 4994
180: ok 4995
180: ok 4996
180: ok 4997
180: ok 4998
180: ok 4999
180: ok 5000
180: ok 5001
180: ok 5002
180: ok 5003
180: ok 5004
180: ok 5005
180: ok 5006
180: ok 5007
180: ok 5008
180: ok 5009
180: ok 5010
180: ok 5011
180: ok 5012
180: ok 5013
180: ok 5014
180: ok 5015
180: ok 5016
180: ok 5017
180: ok 5018
180: ok 5019
180: ok 5020
180: ok 5021
180: ok 5022
180: ok 5023
180: ok 5024
180: ok 5025
180: ok 5026
180: ok 5027
180: ok 5028
180: ok 5029
180: ok 5030
180: ok 5031
180: ok 5032
180: ok 5033
180: ok 5034
180: ok 5035
180: ok 5036
180: ok 5037
180: ok 5038
180: ok 5039
180: ok 5040
180: ok 5041
180: ok 5042
180: ok 5043
180: ok 5044
180: ok 5045
180: ok 5046
180: ok 5047
180: ok 5048
180: ok 5049
180: ok 5050
180: ok 5051
180: ok 5052
180: ok 5053
180: ok 5054
180: ok 5055
180: ok 5056
180: ok 5057
180: ok 5058
180: ok 5059
180: ok 5060
180: ok 5061
180: ok 5062
180: ok 5063
180: ok 5064
180: ok 5065
180: ok 5066
180: ok 5067
180: ok 5068
180: ok 5069
180: ok 5070
180: ok 5071
180: ok 5072
180: ok 5073
180: ok 5074
180: ok 5075
180: ok 5076
180: ok 5077
180: ok 5078
180: ok 5079
180: ok 5080
180: ok 5081
180: ok 5082
180: ok 5083
180: ok 5084
180: ok 5085
180: ok 5086
180: ok 5087
180: ok 5088
180: ok 5089
180: ok 5090
180: ok 5091
180: ok 5092
180: ok 5093
180: ok 5094
180: ok 5095
180: ok 5096
180: ok 5097
180: ok 5098
180: ok 5099
180: ok 5100
180: ok 5101
180: ok 5102
180: ok 5103
180: ok 5104
180: ok 5105
180: ok 5106
180: ok 5107
180: ok 5108
180: ok 5109
180: ok 5110
180: ok 5111
180: ok 5112
180: ok 5113
180: ok 5114
180: ok 5115
180: ok 5116
180: ok 5117
180: ok 5118
180: ok 5119
180: ok 5120
180: ok 5121
180: ok 5122
180: ok 5123
180: ok 5124
180: ok 5125
180: ok 5126
180: ok 5127
180: ok 5128
180: ok 5129
180: ok 5130
180: ok 5131
180: ok 5132
180: ok 5133
180: ok 5134
180: ok 5135
180: ok 5136
180: ok 5137
180: ok 5138
180: ok 5139
180: ok 5140
180: ok 5141
180: ok 5142
180: ok 5143
180: ok 5144
180: ok 5145
180: ok 5146
180: ok 5147
180: ok 5148
180: ok 5149
180: ok 5150
180: ok 5151
180: ok 5152
180: ok 5153
180: ok 5154
180: ok 5155
180: ok 5156
180: ok 5157
180: ok 5158
180: ok 5159
180: ok 5160
180: ok 5161
180: ok 5162
180: ok 5163
180: ok 5164
180: ok 5165
180: ok 5166
180: ok 5167
180: ok 5168
180: ok 5169
180: ok 5170
180: ok 5171
180: ok 5172
180: ok 5173
180: ok 5174
180: ok 5175
180: ok 5176
180: ok 5177
180: ok 5178
180: ok 5179
180: ok 5180
180: ok 5181
180: ok 5182
180: ok 5183
180: ok 5184
180: ok 5185
180: ok 5186
180: ok 5187
180: ok 5188
180: ok 5189
180: ok 5190
180: ok 5191
180: ok 5192
180: ok 5193
180: ok 5194
180: ok 5195
180: ok 5196
180: ok 5197
180: ok 5198
180: ok 5199
180: ok 5200
180: ok 5201
180: ok 5202
180: ok 5203
180: ok 5204
180: ok 5205
180: ok 5206
180: ok 5207
180: ok 5208
180: ok 5209
180: ok 5210
180: ok 5211
180: ok 5212
180: ok 5213
180: ok 5214
180: ok 5215
180: ok 5216
180: ok 5217
180: ok 5218
180: ok 5219
180: ok 5220
180: ok 5221
180: ok 5222
180: ok 5223
180: ok 5224
180: ok 5225
180: ok 5226
180: ok 5227
180: ok 5228
180: ok 5229
180: ok 5230
180: ok 5231
180: ok 5232
180: ok 5233
180: ok 5234
180: ok 5235
180: ok 5236
180: ok 5237
180: ok 5238
180: ok 5239
180: ok 5240
180: ok 5241
180: ok 5242
180: ok 5243
180: ok 5244
180: ok 5245
180: ok 5246
180: ok 5247
180: ok 5248
180: ok 5249
180: ok 5250
180: ok 5251
180: ok 5252
180: ok 5253
180: ok 5254
180: ok 5255
180: ok 5256
180: ok 5257
180: ok 5258
180: ok 5259
180: ok 5260
180: ok 5261
180: ok 5262
180: ok 5263
180: ok 5264
180: ok 5265
180: ok 5266
180: ok 5267
180: ok 5268
180: ok 5269
180: ok 5270
180: ok 5271
180: ok 5272
180: ok 5273
180: ok 5274
180: ok 5275
180: ok 5276
180: ok 5277
180: ok 5278
180: ok 5279
180: ok 5280
180: ok 5281
180: ok 5282
180: ok 5283
180: ok 5284
180: ok 5285
180: ok 5286
180: ok 5287
180: ok 5288
180: ok 5289
180: ok 5290
180: ok 5291
180: ok 5292
180: ok 5293
180: ok 5294
180: ok 5295
180: ok 5296
180: ok 5297
180: ok 5298
180: ok 5299
180: ok 5300
180: ok 5301
180: ok 5302
180: ok 5303
180: ok 5304
180: ok 5305
180: ok 5306
180: ok 5307
180: ok 5308
180: ok 5309
180: ok 5310
180: ok 5311
180: ok 5312
180: ok 5313
180: ok 5314
180: ok 5315
180: ok 5316
180: ok 5317
180: ok 5318
180: ok 5319
180: ok 5320
180: ok 5321
180: ok 5322
180: ok 5323
180: ok 5324
180: ok 5325
180: ok 5326
180: ok 5327
180: ok 5328
180: ok 5329
180: ok 5330
180: ok 5331
180: ok 5332
180: ok 5333
180: ok 5334
180: ok 5335
180: ok 5336
180: ok 5337
180: ok 5338
180: ok 5339
180: ok 5340
180: ok 5341
180: ok 5342
180: ok 5343
180: ok 5344
180: ok 5345
180: ok 5346
180: ok 5347
180: ok 5348
180: ok 5349
180: ok 5350
180: ok 5351
180: ok 5352
180: ok 5353
180: ok 5354
180: ok 5355
180: ok 5356
180: ok 5357
180: ok 5358
180: ok 5359
180: ok 5360
180: ok 5361
180: ok 5362
180: ok 5363
180: ok 5364
180: ok 5365
180: ok 5366
180: ok 5367
180: ok 5368
180: ok 5369
180: ok 5370
180: ok 5371
180: ok 5372
180: ok 5373
180: ok 5374
180: ok 5375
180: ok 5376
180: ok 5377
180: ok 5378
180: ok 5379
180: ok 5380
180: ok 5381
180: ok 5382
180: ok 5383
180: ok 5384
180: ok 5385
180: ok 5386
180: ok 5387
180: ok 5388
180: ok 5389
180: ok 5390
180: ok 5391
180: ok 5392
180: ok 5393
180: ok 5394
180: ok 5395
180: ok 5396
180: ok 5397
180: ok 5398
180: ok 5399
180: ok 5400
180: ok 5401
180: ok 5402
180: ok 5403
180: ok 5404
180: ok 5405
180: ok 5406
180: ok 5407
180: ok 5408
180: ok 5409
180: ok 5410
180: ok 5411
180: ok 5412
180: ok 5413
180: ok 5414
180: ok 5415
180: ok 5416
180: ok 5417
180: ok 5418
180: ok 5419
180: ok 5420
180: ok 5421
180: ok 5422
180: ok 5423
180: ok 5424
180: ok 5425
180: ok 5426
180: ok 5427
180: ok 5428
180: ok 5429
180: ok 5430
180: ok 5431
180: ok 5432
180: ok 5433
180: ok 5434
180: ok 5435
180: ok 5436
180: ok 5437
180: ok 5438
180: ok 5439
180: ok 5440
180: ok 5441
180: ok 5442
180: ok 5443
180: ok 5444
180: ok 5445
180: ok 5446
180: ok 5447
180: ok 5448
180: ok 5449
180: ok 5450
180: ok 5451
180: ok 5452
180: ok 5453
180: ok 5454
180: ok 5455
180: ok 5456
180: ok 5457
180: ok 5458
180: ok 5459
180: ok 5460
180: ok 5461
180: ok 5462
180: ok 5463
180: ok 5464
180: ok 5465
180: ok 5466
180: ok 5467
180: ok 5468
180: ok 5469
180: ok 5470
180: ok 5471
180: ok 5472
180: ok 5473
180: ok 5474
180: ok 5475
180: ok 5476
180: ok 5477
180: ok 5478
180: ok 5479
180: ok 5480
180: ok 5481
180: ok 5482
180: ok 5483
180: ok 5484
180: ok 5485
180: ok 5486
180: ok 5487
180: ok 5488
180: ok 5489
180: ok 5490
180: ok 5491
180: ok 5492
180: ok 5493
180: ok 5494
180: ok 5495
180: ok 5496
180: ok 5497
180: ok 5498
180: ok 5499
180: ok 5500
180: ok 5501
180: ok 5502
180: ok 5503
180: ok 5504
180: ok 5505
180: ok 5506
180: ok 5507
180: ok 5508
180: ok 5509
180: ok 5510
180: ok 5511
180: ok 5512
180: ok 5513
180: ok 5514
180: ok 5515
180: ok 5516
180: ok 5517
180: ok 5518
180: ok 5519
180: ok 5520
180: ok 5521
180: ok 5522
180: ok 5523
180: ok 5524
180: ok 5525
180: ok 5526
180: ok 5527
180: ok 5528
180: ok 5529
180: ok 5530
180: ok 5531
180: ok 5532
180: ok 5533
180: ok 5534
180: ok 5535
180: ok 5536
180: ok 5537
180: ok 5538
180: ok 5539
180: ok 5540
180: ok 5541
180: ok 5542
180: ok 5543
180: ok 5544
180: ok 5545
180: ok 5546
180: ok 5547
180: ok 5548
180: ok 5549
180: ok 5550
180: ok 5551
180: ok 5552
180: ok 5553
180: ok 5554
180: ok 5555
180: ok 5556
180: ok 5557
180: ok 5558
180: ok 5559
180: ok 5560
180: ok 5561
180: ok 5562
180: ok 5563
180: ok 5564
180: ok 5565
180: ok 5566
180: ok 5567
180: ok 5568
180: ok 5569
180: ok 5570
180: ok 5571
180: ok 5572
180: ok 5573
180: ok 5574
180: ok 5575
180: ok 5576
180: ok 5577
180: ok 5578
180: ok 5579
180: ok 5580
180: ok 5581
180: ok 5582
180: ok 5583
180: ok 5584
180: ok 5585
180: ok 5586
180: ok 5587
180: ok 5588
180: ok 5589
180: ok 5590
180: ok 5591
180: ok 5592
180: ok 5593
180: ok 5594
180: ok 5595
180: ok 5596
180: ok 5597
180: ok 5598
180: ok 5599
180: ok 5600
180: ok 5601
180: ok 5602
180: ok 5603
180: ok 5604
180: ok 5605
180: ok 5606
180: ok 5607
180: ok 5608
180: ok 5609
180: ok 5610
180: ok 5611
180: ok 5612
180: ok 5613
180: ok 5614
180: ok 5615
180: ok 5616
180: ok 5617
180: ok 5618
180: ok 5619
180: ok 5620
180: ok 5621
180: ok 5622
180: ok 5623
180: ok 5624
180: ok 5625
180: ok 5626
180: ok 5627
180: ok 5628
180: ok 5629
180: ok 5630
180: ok 5631
180: ok 5632
180: ok 5633
180: ok 5634
180: ok 5635
180: ok 5636
180: ok 5637
180: ok 5638
180: ok 5639
180: ok 5640
180: ok 5641
180: ok 5642
180: ok 5643
180: ok 5644
180: ok 5645
180: ok 5646
180: ok 5647
180: ok 5648
180: ok 5649
180: ok 5650
180: ok 5651
180: ok 5652
180: ok 5653
180: ok 5654
180: ok 5655
180: ok 5656
180: ok 5657
180: ok 5658
180: ok 5659
180: ok 5660
180: ok 5661
180: ok 5662
180: ok 5663
180: ok 5664
180: ok 5665
180: ok 5666
180: ok 5667
180: ok 5668
180: ok 5669
180: ok 5670
180: ok 5671
180: ok 5672
180: ok 5673
180: ok 5674
180: ok 5675
180: ok 5676
180: ok 5677
180: ok 5678
180: ok 5679
180: ok 5680
180: ok 5681
180: ok 5682
180: ok 5683
180: ok 5684
180: ok 5685
180: ok 5686
180: ok 5687
180: ok 5688
180: ok 5689
180: ok 5690
180: ok 5691
180: ok 5692
180: ok 5693
180: ok 5694
180: ok 5695
180: ok 5696
180: ok 5697
180: ok 5698
180: ok 5699
180: ok 5700
180: ok 5701
180: ok 5702
180: ok 5703
180: ok 5704
180: ok 5705
180: ok 5706
180: ok 5707
180: ok 5708
180: ok 5709
180: ok 5710
180: ok 5711
180: ok 5712
180: ok 5713
180: ok 5714
180: ok 5715
180: ok 5716
180: ok 5717
180: ok 5718
180: ok 5719
180: ok 5720
180: ok 5721
180: ok 5722
180: ok 5723
180: ok 5724
180: ok 5725
180: ok 5726
180: ok 5727
180: ok 5728
180: ok 5729
180: ok 5730
180: ok 5731
180: ok 5732
180: ok 5733
180: ok 5734
180: ok 5735
180: ok 5736
180: ok 5737
180: ok 5738
180: ok 5739
180: ok 5740
180: ok 5741
180: ok 5742
180: ok 5743
180: ok 5744
180: ok 5745
180: ok 5746
180: ok 5747
180: ok 5748
180: ok 5749
180: ok 5750
180: ok 5751
180: ok 5752
180: ok 5753
180: ok 5754
180: ok 5755
180: ok 5756
180: ok 5757
180: ok 5758
180: ok 5759
180: ok 5760
180: ok 5761
180: ok 5762
180: ok 5763
180: ok 5764
180: ok 5765
180: ok 5766
180: ok 5767
180: ok 5768
180: ok 5769
180: ok 5770
180: ok 5771
180: ok 5772
180: ok 5773
180: ok 5774
180: ok 5775
180: ok 5776
180: ok 5777
180: ok 5778
180: ok 5779
180: ok 5780
180: ok 5781
180: ok 5782
180: ok 5783
180: ok 5784
180: ok 5785
180: ok 5786
180: ok 5787
180: ok 5788
180: ok 5789
180: ok 5790
180: ok 5791
180: ok 5792
180: ok 5793
180: ok 5794
180: ok 5795
180: ok 5796
180: ok 5797
180: ok 5798
180: ok 5799
180: ok 5800
180: ok 5801
180: ok 5802
180: ok 5803
180: ok 5804
180: ok 5805
180: ok 5806
180: ok 5807
180: ok 5808
180: ok 5809
180: ok 5810
180: ok 5811
180: ok 5812
180: ok 5813
180: ok 5814
180: ok 5815
180: ok 5816
180: ok 5817
180: ok 5818
180: ok 5819
180: ok 5820
180: ok 5821
180: ok 5822
180: ok 5823
180: ok 5824
180: ok 5825
180: ok 5826
180: ok 5827
180: ok 5828
180: ok 5829
180: ok 5830
180: ok 5831
180: ok 5832
180: ok 5833
180: ok 5834
180: ok 5835
180: ok 5836
180: ok 5837
180: ok 5838
180: ok 5839
180: ok 5840
180: ok 5841
180: ok 5842
180: ok 5843
180: ok 5844
180: ok 5845
180: ok 5846
180: ok 5847
180: ok 5848
180: ok 5849
180: ok 5850
180: ok 5851
180: ok 5852
180: ok 5853
180: ok 5854
180: ok 5855
180: ok 5856
180: ok 5857
180: ok 5858
180: ok 5859
180: ok 5860
180: ok 5861
180: ok 5862
180: ok 5863
180: ok 5864
180: ok 5865
180: ok 5866
180: ok 5867
180: ok 5868
180: ok 5869
180: ok 5870
180: ok 5871
180: ok 5872
180: ok 5873
180: ok 5874
180: ok 5875
180: ok 5876
180: ok 5877
180: ok 5878
180: ok 5879
180: ok 5880
180: ok 5881
180: ok 5882
180: ok 5883
180: ok 5884
180: ok 5885
180: ok 5886
180: ok 5887
180: ok 5888
180: ok 5889
180: ok 5890
180: ok 5891
180: ok 5892
180: ok 5893
180: ok 5894
180: ok 5895
180: ok 5896
180: ok 5897
180: ok 5898
180: ok 5899
180: ok 5900
180: ok 5901
180: ok 5902
180: ok 5903
180: ok 5904
180: ok 5905
180: ok 5906
180: ok 5907
180: ok 5908
180: ok 5909
180: ok 5910
180: ok 5911
180: ok 5912
180: ok 5913
180: ok 5914
180: ok 5915
180: ok 5916
180: ok 5917
180: ok 5918
180: ok 5919
180: ok 5920
180: ok 5921
180: ok 5922
180: ok 5923
180: ok 5924
180: ok 5925
180: ok 5926
180: ok 5927
180: ok 5928
180: ok 5929
180: ok 5930
180: ok 5931
180: ok 5932
180: ok 5933
180: ok 5934
180: ok 5935
180: ok 5936
180: ok 5937
180: ok 5938
180: ok 5939
180: ok 5940
180: ok 5941
180: ok 5942
180: ok 5943
180: ok 5944
180: ok 5945
180: ok 5946
180: ok 5947
180: ok 5948
180: ok 5949
180: ok 5950
180: ok 5951
180: ok 5952
180: ok 5953
180: ok 5954
180: ok 5955
180: ok 5956
180: ok 5957
180: ok 5958
180: ok 5959
180: ok 5960
180: ok 5961
180: ok 5962
180: ok 5963
180: ok 5964
180: ok 5965
180: ok 5966
180: ok 5967
180: ok 5968
180: ok 5969
180: ok 5970
180: ok 5971
180: ok 5972
180: ok 5973
180: ok 5974
180: ok 5975
180: ok 5976
180: ok 5977
180: ok 5978
180: ok 5979
180: ok 5980
180: ok 5981
180: ok 5982
180: ok 5983
180: ok 5984
180: ok 5985
180: ok 5986
180: ok 5987
180: ok 5988
180: ok 5989
180: ok 5990
180: ok 5991
180: ok 5992
180: ok 5993
180: ok 5994
180: ok 5995
180: ok 5996
180: ok 5997
180: ok 5998
180: ok 5999
180: ok 6000
180: ok 6001
180: ok 6002
180: ok 6003
180: ok 6004
180: ok 6005
180: ok 6006
180: ok 6007
180: ok 6008
180: ok 6009
180: ok 6010
180: ok 6011
180: ok 6012
180: ok 6013
180: ok 6014
180: ok 6015
180: ok 6016
180: ok 6017
180: ok 6018
180: ok 6019
180: ok 6020
180: ok 6021
180: ok 6022
180: ok 6023
180: ok 6024
180: ok 6025
180: ok 6026
180: ok 6027
180: ok 6028
180: ok 6029
180: ok 6030
180: ok 6031
180: ok 6032
180: ok 6033
180: ok 6034
180: ok 6035
180: ok 6036
180: ok 6037
180: ok 6038
180: ok 6039
180: ok 6040
180: ok 6041
180: ok 6042
180: ok 6043
180: ok 6044
180: ok 6045
180: ok 6046
180: ok 6047
180: ok 6048
180: ok 6049
180: ok 6050
180: ok 6051
180: ok 6052
180: ok 6053
180: ok 6054
180: ok 6055
180: ok 6056
180: ok 6057
180: ok 6058
180: ok 6059
180: ok 6060
180: ok 6061
180: ok 6062
180: ok 6063
180: ok 6064
180: ok 6065
180: ok 6066
180: ok 6067
180: ok 6068
180: ok 6069
180: ok 6070
180: ok 6071
180: ok 6072
180: ok 6073
180: ok 6074
180: ok 6075
180: ok 6076
180: ok 6077
180: ok 6078
180: ok 6079
180: ok 6080
180: ok 6081
180: ok 6082
180: ok 6083
180: ok 6084
180: ok 6085
180: ok 6086
180: ok 6087
180: ok 6088
180: ok 6089
180: ok 6090
180: ok 6091
180: ok 6092
180: ok 6093
180: ok 6094
180: ok 6095
180: ok 6096
180: ok 6097
180: ok 6098
180: ok 6099
180: ok 6100
180: ok 6101
180: ok 6102
180: ok 6103
180: ok 6104
180: ok 6105
180: ok 6106
180: ok 6107
180: ok 6108
180: ok 6109
180: ok 6110
180: ok 6111
180: ok 6112
180: ok 6113
180: ok 6114
180: ok 6115
180: ok 6116
180: ok 6117
180: ok 6118
180: ok 6119
180: ok 6120
180: ok 6121
180: ok 6122
180: ok 6123
180: ok 6124
180: ok 6125
180: ok 6126
180: ok 6127
180: ok 6128
180: ok 6129
180: ok 6130
180: ok 6131
180: ok 6132
180: ok 6133
180: ok 6134
180: ok 6135
180: ok 6136
180: ok 6137
180: ok 6138
180: ok 6139
180: ok 6140
180: ok 6141
180: ok 6142
180: ok 6143
180: ok 6144
180: ok 6145
180: ok 6146
180: ok 6147
180: ok 6148
180: ok 6149
180: ok 6150
180: ok 6151
180: ok 6152
180: ok 6153
180: ok 6154
180: ok 6155
180: ok 6156
180: ok 6157
180: ok 6158
180: ok 6159
180: ok 6160
180: ok 6161
180: ok 6162
180: ok 6163
180: ok 6164
180: ok 6165
180: ok 6166
180: ok 6167
180: ok 6168
180: ok 6169
180: ok 6170
180: ok 6171
180: ok 6172
180: ok 6173
180: ok 6174
180: ok 6175
180: ok 6176
180: ok 6177
180: ok 6178
180: ok 6179
180: ok 6180
180: ok 6181
180: ok 6182
180: ok 6183
180: ok 6184
180: ok 6185
180: ok 6186
180: ok 6187
180: ok 6188
180: ok 6189
180: ok 6190
180: ok 6191
180: ok 6192
180: ok 6193
180: ok 6194
180: ok 6195
180: ok 6196
180: ok 6197
180: ok 6198
180: ok 6199
180: ok 6200
180: ok 6201
180: ok 6202
180: ok 6203
180: ok 6204
180: ok 6205
180: ok 6206
180: ok 6207
180: ok 6208
180: ok 6209
180: ok 6210
180: ok 6211
180: ok 6212
180: ok 6213
180: ok 6214
180: ok 6215
180: ok 6216
180: ok 6217
180: ok 6218
180: ok 6219
180: ok 6220
180: ok 6221
180: ok 6222
180: ok 6223
180: ok 6224
180: ok 6225
180: ok 6226
180: ok 6227
180: ok 6228
180: ok 6229
180: ok 6230
180: ok 6231
180: ok 6232
180: ok 6233
180: ok 6234
180: ok 6235
180: ok 6236
180: ok 6237
180: ok 6238
180: ok 6239
180: ok 6240
180: ok 6241
180: ok 6242
180: ok 6243
180: ok 6244
180: ok 6245
180: ok 6246
180: ok 6247
180: ok 6248
180: ok 6249
180: ok 6250
180: ok 6251
180: ok 6252
180: ok 6253
180: ok 6254
180: ok 6255
180: ok 6256
180: ok 6257
180: ok 6258
180: ok 6259
180: ok 6260
180: ok 6261
180: ok 6262
180: ok 6263
180: ok 6264
180: ok 6265
180: ok 6266
180: ok 6267
180: ok 6268
180: ok 6269
180: ok 6270
180: ok 6271
180: ok 6272
180: ok 6273
180: ok 6274
180: ok 6275
180: ok 6276
180: ok 6277
180: ok 6278
180: ok 6279
180: ok 6280
180: ok 6281
180: ok 6282
180: ok 6283
180: ok 6284
180: ok 6285
180: ok 6286
180: ok 6287
180: ok 6288
180: ok 6289
180: ok 6290
180: ok 6291
180: ok 6292
180: ok 6293
180: ok 6294
180: ok 6295
180: ok 6296
180: ok 6297
180: ok 6298
180: ok 6299
180: ok 6300
180: ok 6301
180: ok 6302
180: ok 6303
180: ok 6304
180: ok 6305
180: ok 6306
180: ok 6307
180: ok 6308
180: ok 6309
180: ok 6310
180: ok 6311
180: ok 6312
180: ok 6313
180: ok 6314
180: ok 6315
180: ok 6316
180: ok 6317
180: ok 6318
180: ok 6319
180: ok 6320
180: ok 6321
180: ok 6322
180: ok 6323
180: ok 6324
180: ok 6325
180: ok 6326
180: ok 6327
180: ok 6328
180: ok 6329
180: ok 6330
180: ok 6331
180: ok 6332
180: ok 6333
180: ok 6334
180: ok 6335
180: ok 6336
180: ok 6337
180: ok 6338
180: ok 6339
180: ok 6340
180: ok 6341
180: ok 6342
180: ok 6343
180: ok 6344
180: ok 6345
180: ok 6346
180: ok 6347
180: ok 6348
180: ok 6349
180: ok 6350
180: ok 6351
180: ok 6352
180: ok 6353
180: ok 6354
180: ok 6355
180: ok 6356
180: ok 6357
180: ok 6358
180: ok 6359
180: ok 6360
180: ok 6361
180: ok 6362
180: ok 6363
180: ok 6364
180: ok 6365
180: ok 6366
180: ok 6367
180: ok 6368
180: ok 6369
180: ok 6370
180: ok 6371
180: ok 6372
180: ok 6373
180: ok 6374
180: ok 6375
180: ok 6376
180: ok 6377
180: ok 6378
180: ok 6379
180: ok 6380
180: ok 6381
180: ok 6382
180: ok 6383
180: ok 6384
180: ok 6385
180: ok 6386
180: ok 6387
180: ok 6388
180: ok 6389
180: ok 6390
180: ok 6391
180: ok 6392
180: ok 6393
180: ok 6394
180: ok 6395
180: ok 6396
180: ok 6397
180: ok 6398
180: ok 6399
180: ok 6400
180: ok 6401
180: ok 6402
180: ok 6403
180: ok 6404
180: ok 6405
180: ok 6406
180: ok 6407
180: ok 6408
180: ok 6409
180: ok 6410
180: ok 6411
180: ok 6412
180: ok 6413
180: ok 6414
180: ok 6415
180: ok 6416
180: ok 6417
180: ok 6418
180: ok 6419
180: ok 6420
180: ok 6421
180: ok 6422
180: ok 6423
180: ok 6424
180: ok 6425
180: ok 6426
180: ok 6427
180: ok 6428
180: ok 6429
180: ok 6430
180: ok 6431
180: ok 6432
180: ok 6433
180: ok 6434
180: ok 6435
180: ok 6436
180: ok 6437
180: ok 6438
180: ok 6439
180: ok 6440
180: ok 6441
180: ok 6442
180: ok 6443
180: ok 6444
180: ok 6445
180: ok 6446
180: ok 6447
180: ok 6448
180: ok 6449
180: ok 6450
180: ok 6451
180: ok 6452
180: ok 6453
180: ok 6454
180: ok 6455
180: ok 6456
180: ok 6457
180: ok 6458
180: ok 6459
180: ok 6460
180: ok 6461
180: ok 6462
180: ok 6463
180: ok 6464
180: ok 6465
180: ok 6466
180: ok 6467
180: ok 6468
180: ok 6469
180: ok 6470
180: ok 6471
180: ok 6472
180: ok 6473
180: ok 6474
180: ok 6475
180: ok 6476
180: ok 6477
180: ok 6478
180: ok 6479
180: ok 6480
180: ok 6481
180: ok 6482
180: ok 6483
180: ok 6484
180: ok 6485
180: ok 6486
180: ok 6487
180: ok 6488
180: ok 6489
180: ok 6490
180: ok 6491
180: ok 6492
180: ok 6493
180: ok 6494
180: ok 6495
180: ok 6496
180: ok 6497
180: ok 6498
180: ok 6499
180: ok 6500
180: ok 6501
180: ok 6502
180: ok 6503
180: ok 6504
180: ok 6505
180: ok 6506
180: ok 6507
180: ok 6508
180: ok 6509
180: ok 6510
180: ok 6511
180: ok 6512
180: ok 6513
180: ok 6514
180: ok 6515
180: ok 6516
180: ok 6517
180: ok 6518
180: ok 6519
180: ok 6520
180: ok 6521
180: ok 6522
180: ok 6523
180: ok 6524
180: ok 6525
180: ok 6526
180: ok 6527
180: ok 6528
180: ok 6529
180: ok 6530
180: ok 6531
180: ok 6532
180: ok 6533
180: ok 6534
180: ok 6535
180: ok 6536
180: ok 6537
180: ok 6538
180: ok 6539
180: ok 6540
180: ok 6541
180: ok 6542
180: ok 6543
180: ok 6544
180: ok 6545
180: ok 6546
180: ok 6547
180: ok 6548
180: ok 6549
180: ok 6550
180: ok 6551
180: ok 6552
180: ok 6553
180: ok 6554
180: ok 6555
180: ok 6556
180: ok 6557
180: ok 6558
180: ok 6559
180: ok 6560
180: ok 6561
180: ok 6562
180: ok 6563
180: ok 6564
180: ok 6565
180: ok 6566
180: ok 6567
180: ok 6568
180: ok 6569
180: ok 6570
180: ok 6571
180: ok 6572
180: ok 6573
180: ok 6574
180: ok 6575
180: ok 6576
180: ok 6577
180: ok 6578
180: ok 6579
180: ok 6580
180: ok 6581
180: ok 6582
180: ok 6583
180: ok 6584
180: ok 6585
180: ok 6586
180: ok 6587
180: ok 6588
180: ok 6589
180: ok 6590
180: ok 6591
180: ok 6592
180: ok 6593
180: ok 6594
180: ok 6595
180: ok 6596
180: ok 6597
180: ok 6598
180: ok 6599
180: ok 6600
180: ok 6601
180: ok 6602
180: ok 6603
180: ok 6604
180: ok 6605
180: ok 6606
180: ok 6607
180: ok 6608
180: ok 6609
180: ok 6610
180: ok 6611
180: ok 6612
180: ok 6613
180: ok 6614
180: ok 6615
180: ok 6616
180: ok 6617
180: ok 6618
180: ok 6619
180: ok 6620
180: ok 6621
180: ok 6622
180: ok 6623
180: ok 6624
180: ok 6625
180: ok 6626
180: ok 6627
180: ok 6628
180: ok 6629
180: ok 6630
180: ok 6631
180: ok 6632
180: ok 6633
180: ok 6634
180: ok 6635
180: ok 6636
180: ok 6637
180: ok 6638
180: ok 6639
180: ok 6640
180: ok 6641
180: ok 6642
180: ok 6643
180: ok 6644
180: ok 6645
180: ok 6646
180: ok 6647
180: ok 6648
180: ok 6649
180: ok 6650
180: ok 6651
180: ok 6652
180: ok 6653
180: ok 6654
180: ok 6655
180: ok 6656
180: ok 6657
180: ok 6658
180: ok 6659
180: ok 6660
180: ok 6661
180: ok 6662
180: ok 6663
180: ok 6664
180: ok 6665
180: ok 6666
180: ok 6667
180: ok 6668
180: ok 6669
180: ok 6670
180: ok 6671
180: ok 6672
180: ok 6673
180: ok 6674
180: ok 6675
180: ok 6676
180: ok 6677
180: ok 6678
180: ok 6679
180: ok 6680
180: ok 6681
180: ok 6682
180: ok 6683
180: ok 6684
180: ok 6685
180: ok 6686
180: ok 6687
180: ok 6688
180: ok 6689
180: ok 6690
180: ok 6691
180: ok 6692
180: ok 6693
180: ok 6694
180: ok 6695
180: ok 6696
180: ok 6697
180: ok 6698
180: ok 6699
180: ok 6700
180: ok 6701
180: ok 6702
180: ok 6703
180: ok 6704
180: ok 6705
180: ok 6706
180: ok 6707
180: ok 6708
180: ok 6709
180: ok 6710
180: ok 6711
180: ok 6712
180: ok 6713
180: ok 6714
180: ok 6715
180: ok 6716
180: ok 6717
180: ok 6718
180: ok 6719
180: ok 6720
180: ok 6721
180: ok 6722
180: ok 6723
180: ok 6724
180: ok 6725
180: ok 6726
180: ok 6727
180: ok 6728
180: ok 6729
180: ok 6730
180: ok 6731
180: ok 6732
180: ok 6733
180: ok 6734
180: ok 6735
180: ok 6736
180: ok 6737
180: ok 6738
180: ok 6739
180: ok 6740
180: ok 6741
180: ok 6742
180: ok 6743
180: ok 6744
180: ok 6745
180: ok 6746
180: ok 6747
180: ok 6748
180: ok 6749
180: ok 6750
180: ok 6751
180: ok 6752
180: ok 6753
180: ok 6754
180: ok 6755
180: ok 6756
180: ok 6757
180: ok 6758
180: ok 6759
180: ok 6760
180: ok 6761
180: ok 6762
180: ok 6763
180: ok 6764
180: ok 6765
180: ok 6766
180: ok 6767
180: ok 6768
180: ok 6769
180: ok 6770
180: ok 6771
180: ok 6772
180: ok 6773
180: ok 6774
180: ok 6775
180: ok 6776
180: ok 6777
180: ok 6778
180: ok 6779
180: ok 6780
180: ok 6781
180: ok 6782
180: ok 6783
180: ok 6784
180: ok 6785
180: ok 6786
180: ok 6787
180: ok 6788
180: ok 6789
180: ok 6790
180: ok 6791
180: ok 6792
180: ok 6793
180: ok 6794
180: ok 6795
180: ok 6796
180: ok 6797
180: ok 6798
180: ok 6799
180: ok 6800
180: ok 6801
180: ok 6802
180: ok 6803
180: ok 6804
180: ok 6805
180: ok 6806
180: ok 6807
180: ok 6808
180: ok 6809
180: ok 6810
180: ok 6811
180: ok 6812
180: ok 6813
180: ok 6814
180: ok 6815
180: ok 6816
180: ok 6817
180: ok 6818
180: ok 6819
180: ok 6820
180: ok 6821
180: ok 6822
180: ok 6823
180: ok 6824
180: ok 6825
180: ok 6826
180: ok 6827
180: ok 6828
180: ok 6829
180: ok 6830
180: ok 6831
180: ok 6832
180: ok 6833
180: ok 6834
180: ok 6835
180: ok 6836
180: ok 6837
180: ok 6838
180: ok 6839
180: ok 6840
180: ok 6841
180: ok 6842
180: ok 6843
180: ok 6844
180: ok 6845
180: ok 6846
180: ok 6847
180: ok 6848
180: ok 6849
180: ok 6850
180: ok 6851
180: ok 6852
180: ok 6853
180: ok 6854
180: ok 6855
180: ok 6856
180: ok 6857
180: ok 6858
180: ok 6859
180: ok 6860
180: ok 6861
180: ok 6862
180: ok 6863
180: ok 6864
180: ok 6865
180: ok 6866
180: ok 6867
180: ok 6868
180: ok 6869
180: ok 6870
180: ok 6871
180: ok 6872
180: ok 6873
180: ok 6874
180: ok 6875
180: ok 6876
180: ok 6877
180: ok 6878
180: ok 6879
180: ok 6880
180: ok 6881
180: ok 6882
180: ok 6883
180: ok 6884
180: ok 6885
180: ok 6886
180: ok 6887
180: ok 6888
180: ok 6889
180: ok 6890
180: ok 6891
180: ok 6892
180: ok 6893
180: ok 6894
180: ok 6895
180: ok 6896
180: ok 6897
180: ok 6898
180: ok 6899
180: ok 6900
180: ok 6901
180: ok 6902
180: ok 6903
180: ok 6904
180: ok 6905
180: ok 6906
180: ok 6907
180: ok 6908
180: ok 6909
180: ok 6910
180: ok 6911
180: ok 6912
180: ok 6913
180: ok 6914
180: ok 6915
180: ok 6916
180: ok 6917
180: ok 6918
180: ok 6919
180: ok 6920
180: ok 6921
180: ok 6922
180: ok 6923
180: ok 6924
180: ok 6925
180: ok 6926
180: ok 6927
180: ok 6928
180: ok 6929
180: ok 6930
180: ok 6931
180: ok 6932
180: ok 6933
180: ok 6934
180: ok 6935
180: ok 6936
180: ok 6937
180: ok 6938
180: ok 6939
180: ok 6940
180: ok 6941
180: ok 6942
180: ok 6943
180: ok 6944
180: ok 6945
180: ok 6946
180: ok 6947
180: ok 6948
180: ok 6949
180: ok 6950
180: ok 6951
180: ok 6952
180: ok 6953
180: ok 6954
180: ok 6955
180: ok 6956
180: ok 6957
180: ok 6958
180: ok 6959
180: ok 6960
180: ok 6961
180: ok 6962
180: ok 6963
180: ok 6964
180: ok 6965
180: ok 6966
180: ok 6967
180: ok 6968
180: ok 6969
180: ok 6970
180: ok 6971
180: ok 6972
180: ok 6973
180: ok 6974
180: ok 6975
180: ok 6976
180: ok 6977
180: ok 6978
180: ok 6979
180: ok 6980
180: ok 6981
180: ok 6982
180: ok 6983
180: ok 6984
180: ok 6985
180: ok 6986
180: ok 6987
180: ok 6988
180: ok 6989
180: ok 6990
180: ok 6991
180: ok 6992
180: ok 6993
180: ok 6994
180: ok 6995
180: ok 6996
180: ok 6997
180: ok 6998
180: ok 6999
180: ok 7000
180: ok 7001
180: ok 7002
180: ok 7003
180: ok 7004
180: ok 7005
180: ok 7006
180: ok 7007
180: ok 7008
180: ok 7009
180: ok 7010
180: ok 7011
180: ok 7012
180: ok 7013
180: ok 7014
180: ok 7015
180: ok 7016
180: ok 7017
180: ok 7018
180: ok 7019
180: ok 7020
180: ok 7021
180: ok 7022
180: ok 7023
180: ok 7024
180: ok 7025
180: ok 7026
180: ok 7027
180: ok 7028
180: ok 7029
180: ok 7030
180: ok 7031
180: ok 7032
180: ok 7033
180: ok 7034
180: ok 7035
180: ok 7036
180: ok 7037
180: ok 7038
180: ok 7039
180: ok 7040
180: ok 7041
180: ok 7042
180: ok 7043
180: ok 7044
180: ok 7045
180: ok 7046
180: ok 7047
180: ok 7048
180: ok 7049
180: ok 7050
180: ok 7051
180: ok 7052
180: ok 7053
180: ok 7054
180: ok 7055
180: ok 7056
180: ok 7057
180: ok 7058
180: ok 7059
180: ok 7060
180: ok 7061
180: ok 7062
180: ok 7063
180: ok 7064
180: ok 7065
180: ok 7066
180: ok 7067
180: ok 7068
180: ok 7069
180: ok 7070
180: ok 7071
180: ok 7072
180: ok 7073
180: ok 7074
180: ok 7075
180: ok 7076
180: ok 7077
180: ok 7078
180: ok 7079
180: ok 7080
180: ok 7081
180: ok 7082
180: ok 7083
180: ok 7084
180: ok 7085
180: ok 7086
180: ok 7087
180: ok 7088
180: ok 7089
180: ok 7090
180: ok 7091
180: ok 7092
180: ok 7093
180: ok 7094
180: ok 7095
180: ok 7096
180: ok 7097
180: ok 7098
180: ok 7099
180: ok 7100
180: ok 7101
180: ok 7102
180: ok 7103
180: ok 7104
180: ok 7105
180: ok 7106
180: ok 7107
180: ok 7108
180: ok 7109
180: ok 7110
180: ok 7111
180: ok 7112
180: ok 7113
180: ok 7114
180: ok 7115
180: ok 7116
180: ok 7117
180: ok 7118
180: ok 7119
180: ok 7120
180: ok 7121
180: ok 7122
180: ok 7123
180: ok 7124
180: ok 7125
180: ok 7126
180: ok 7127
180: ok 7128
180: ok 7129
180: ok 7130
180: ok 7131
180: ok 7132
180: ok 7133
180: ok 7134
180: ok 7135
180: ok 7136
180: ok 7137
180: ok 7138
180: ok 7139
180: ok 7140
180: ok 7141
180: ok 7142
180: ok 7143
180: ok 7144
180: ok 7145
180: ok 7146
180: ok 7147
180: ok 7148
180: ok 7149
180: ok 7150
180: ok 7151
180: ok 7152
180: ok 7153
180: ok 7154
180: ok 7155
180: ok 7156
180: ok 7157
180: ok 7158
180: ok 7159
180: ok 7160
180: ok 7161
180: ok 7162
180: ok 7163
180: ok 7164
180: ok 7165
180: ok 7166
180: ok 7167
180: ok 7168
180: ok 7169
180: ok 7170
180: ok 7171
180: ok 7172
180: ok 7173
180: ok 7174
180: ok 7175
180: ok 7176
180: ok 7177
180: ok 7178
180: ok 7179
180: ok 7180
180: ok 7181
180: ok 7182
180: ok 7183
180: ok 7184
180: ok 7185
180: ok 7186
180: ok 7187
180: ok 7188
180: ok 7189
180: ok 7190
180: ok 7191
180: ok 7192
180: ok 7193
180: ok 7194
180: ok 7195
180: ok 7196
180: ok 7197
180: ok 7198
180: ok 7199
180: ok 7200
180: ok 7201
180: ok 7202
180: ok 7203
180: ok 7204
180: ok 7205
180: ok 7206
180: ok 7207
180: ok 7208
180: ok 7209
180: ok 7210
180: ok 7211
180: ok 7212
180: ok 7213
180: ok 7214
180: ok 7215
180: ok 7216
180: ok 7217
180: ok 7218
180: ok 7219
180: ok 7220
180: ok 7221
180: ok 7222
180: ok 7223
180: ok 7224
180: ok 7225
180: ok 7226
180: ok 7227
180: ok 7228
180: ok 7229
180: ok 7230
180: ok 7231
180: ok 7232
180: ok 7233
180: ok 7234
180: ok 7235
180: ok 7236
180: ok 7237
180: ok 7238
180: ok 7239
180: ok 7240
180: ok 7241
180: ok 7242
180: ok 7243
180: ok 7244
180: ok 7245
180: ok 7246
180: ok 7247
180: ok 7248
180: ok 7249
180: ok 7250
180: ok 7251
180: ok 7252
180: ok 7253
180: ok 7254
180: ok 7255
180: ok 7256
180: ok 7257
180: ok 7258
180: ok 7259
180: ok 7260
180: ok 7261
180: ok 7262
180: ok 7263
180: ok 7264
180: ok 7265
180: ok 7266
180: ok 7267
180: ok 7268
180: ok 7269
180: ok 7270
180: ok 7271
180: ok 7272
180: ok 7273
180: ok 7274
180: ok 7275
180: ok 7276
180: ok 7277
180: ok 7278
180: ok 7279
180: ok 7280
180: ok 7281
180: ok 7282
180: ok 7283
180: ok 7284
180: ok 7285
180: ok 7286
180: ok 7287
180: ok 7288
180: ok 7289
180: ok 7290
180: ok 7291
180: ok 7292
180: ok 7293
180: ok 7294
180: ok 7295
180: ok 7296
180: ok 7297
180: ok 7298
180: ok 7299
180: ok 7300
180: ok 7301
180: ok 7302
180: ok 7303
180: ok 7304
180: ok 7305
180: ok 7306
180: ok 7307
180: ok 7308
180: ok 7309
180: ok 7310
180: ok 7311
180: ok 7312
180: ok 7313
180: ok 7314
180: ok 7315
180: ok 7316
180: ok 7317
180: ok 7318
180: ok 7319
180: ok 7320
180: ok 7321
180: ok 7322
180: ok 7323
180: ok 7324
180: ok 7325
180: ok 7326
180: ok 7327
180: ok 7328
180: ok 7329
180: ok 7330
180: ok 7331
180: ok 7332
180: ok 7333
180: ok 7334
180: ok 7335
180: ok 7336
180: ok 7337
180: ok 7338
180: ok 7339
180: ok 7340
180: ok 7341
180: ok 7342
180: ok 7343
180: ok 7344
180: ok 7345
180: ok 7346
180: ok 7347
180: ok 7348
180: ok 7349
180: ok 7350
180: ok 7351
180: ok 7352
180: ok 7353
180: ok 7354
180: ok 7355
180: ok 7356
180: ok 7357
180: ok 7358
180: ok 7359
180: ok 7360
180: ok 7361
180: ok 7362
180: ok 7363
180: ok 7364
180: ok 7365
180: ok 7366
180: ok 7367
180: ok 7368
180: ok 7369
180: ok 7370
180: ok 7371
180: ok 7372
180: ok 7373
180: ok 7374
180: ok 7375
180: ok 7376
180: ok 7377
180: ok 7378
180: ok 7379
180: ok 7380
180: ok 7381
180: ok 7382
180: ok 7383
180: ok 7384
180: ok 7385
180: ok 7386
180: ok 7387
180: ok 7388
180: ok 7389
180: ok 7390
180: ok 7391
180: ok 7392
180: ok 7393
180: ok 7394
180: ok 7395
180: ok 7396
180: ok 7397
180: ok 7398
180: ok 7399
180: ok 7400
180: ok 7401
180: ok 7402
180: ok 7403
180: ok 7404
180: ok 7405
180: ok 7406
180: ok 7407
180: ok 7408
180: ok 7409
180: ok 7410
180: ok 7411
180: ok 7412
180: ok 7413
180: ok 7414
180: ok 7415
180: ok 7416
180: ok 7417
180: ok 7418
180: ok 7419
180: ok 7420
180: ok 7421
180: ok 7422
180: ok 7423
180: ok 7424
180: ok 7425
180: ok 7426
180: ok 7427
180: ok 7428
180: ok 7429
180: ok 7430
180: ok 7431
180: ok 7432
180: ok 7433
180: ok 7434
180: ok 7435
180: ok 7436
180: ok 7437
180: ok 7438
180: ok 7439
180: ok 7440
180: ok 7441
180: ok 7442
180: ok 7443
180: ok 7444
180: ok 7445
180: ok 7446
180: ok 7447
180: ok 7448
180: ok 7449
180: ok 7450
180: ok 7451
180: ok 7452
180: ok 7453
180: ok 7454
180: ok 7455
180: ok 7456
180: ok 7457
180: ok 7458
180: ok 7459
180: ok 7460
180: ok 7461
180: ok 7462
180: ok 7463
180: ok 7464
180: ok 7465
180: ok 7466
180: ok 7467
180: ok 7468
180: ok 7469
180: ok 7470
180: ok 7471
180: ok 7472
180: ok 7473
180: ok 7474
180: ok 7475
180: ok 7476
180: ok 7477
180: ok 7478
180: ok 7479
180: ok 7480
180: ok 7481
180: ok 7482
180: ok 7483
180: ok 7484
180: ok 7485
180: ok 7486
180: ok 7487
180: ok 7488
180: ok 7489
180: ok 7490
180: ok 7491
180: ok 7492
180: ok 7493
180: ok 7494
180: ok 7495
180: ok 7496
180: ok 7497
180: ok 7498
180: ok 7499
180: ok 7500
180: ok 7501
180: ok 7502
180: ok 7503
180: ok 7504
180: ok 7505
180: ok 7506
180: ok 7507
180: ok 7508
180: ok 7509
180: ok 7510
180: ok 7511
180: ok 7512
180: ok 7513
180: ok 7514
180: ok 7515
180: ok 7516
180: ok 7517
180: ok 7518
180: ok 7519
180: ok 7520
180: ok 7521
180: ok 7522
180: ok 7523
180: ok 7524
180: ok 7525
180: ok 7526
180: ok 7527
180: ok 7528
180: ok 7529
180: ok 7530
180: ok 7531
180: ok 7532
180: ok 7533
180: ok 7534
180: ok 7535
180: ok 7536
180: ok 7537
180: ok 7538
180: ok 7539
180: ok 7540
180: ok 7541
180: ok 7542
180: ok 7543
180: ok 7544
180: ok 7545
180: ok 7546
180: ok 7547
180: ok 7548
180: ok 7549
180: ok 7550
180: ok 7551
180: ok 7552
180: ok 7553
180: ok 7554
180: ok 7555
180: ok 7556
180: ok 7557
180: ok 7558
180: ok 7559
180: ok 7560
180: ok 7561
180: ok 7562
180: ok 7563
180: ok 7564
180: ok 7565
180: ok 7566
180: ok 7567
180: ok 7568
180: ok 7569
180: ok 7570
180: ok 7571
180: ok 7572
180: ok 7573
180: ok 7574
180: ok 7575
180: ok 7576
180: ok 7577
180: ok 7578
180: ok 7579
180: ok 7580
180: ok 7581
180: ok 7582
180: ok 7583
180: ok 7584
180: ok 7585
180: ok 7586
180: ok 7587
180: ok 7588
180: ok 7589
180: ok 7590
180: ok 7591
180: ok 7592
180: ok 7593
180: ok 7594
180: ok 7595
180: ok 7596
180: ok 7597
180: ok 7598
180: ok 7599
180: ok 7600
180: ok 7601
180: ok 7602
180: ok 7603
180: ok 7604
180: ok 7605
180: ok 7606
180: ok 7607
180: ok 7608
180: ok 7609
180: ok 7610
180: ok 7611
180: ok 7612
180: ok 7613
180: ok 7614
180: ok 7615
180: ok 7616
180: ok 7617
180: ok 7618
180: ok 7619
180: ok 7620
180: ok 7621
180: ok 7622
180: ok 7623
180: ok 7624
180: ok 7625
180: ok 7626
180: ok 7627
180: ok 7628
180: ok 7629
180: ok 7630
180: ok 7631
180: ok 7632
180: ok 7633
180: ok 7634
180: ok 7635
180: ok 7636
180: ok 7637
180: ok 7638
180: ok 7639
180: ok 7640
180: ok 7641
180: ok 7642
180: ok 7643
180: ok 7644
180: ok 7645
180: ok 7646
180: ok 7647
180: ok 7648
180: ok 7649
180: ok 7650
180: ok 7651
180: ok 7652
180: ok 7653
180: ok 7654
180: ok 7655
180: ok 7656
180: ok 7657
180: ok 7658
180: ok 7659
180: ok 7660
180: ok 7661
180: ok 7662
180: ok 7663
180: ok 7664
180: ok 7665
180: ok 7666
180: ok 7667
180: ok 7668
180: ok 7669
180: ok 7670
180: ok 7671
180: ok 7672
180: ok 7673
180: ok 7674
180: ok 7675
180: ok 7676
180: ok 7677
180: ok 7678
180: ok 7679
180: ok 7680
180: ok 7681
180: ok 7682
180: ok 7683
180: ok 7684
180: ok 7685
180: ok 7686
180: ok 7687
180: ok 7688
180: ok 7689
180: ok 7690
180: ok 7691
180: ok 7692
180: ok 7693
180: ok 7694
180: ok 7695
180: ok 7696
180: ok 7697
180: ok 7698
180: ok 7699
180: ok 7700
180: ok 7701
180: ok 7702
180: ok 7703
180: ok 7704
180: ok 7705
180: ok 7706
180: ok 7707
180: ok 7708
180: ok 7709
180: ok 7710
180: ok 7711
180: ok 7712
180: ok 7713
180: ok 7714
180: ok 7715
180: ok 7716
180: ok 7717
180: ok 7718
180: ok 7719
180: ok 7720
180: ok 7721
180: ok 7722
180: ok 7723
180: ok 7724
180: ok 7725
180: ok 7726
180: ok 7727
180: ok 7728
180: ok 7729
180: ok 7730
180: ok 7731
180: ok 7732
180: ok 7733
180: ok 7734
180: ok 7735
180: ok 7736
180: ok 7737
180: ok 7738
180: ok 7739
180: ok 7740
180: ok 7741
180: ok 7742
180: ok 7743
180: ok 7744
180: ok 7745
180: ok 7746
180: ok 7747
180: ok 7748
180: ok 7749
180: ok 7750
180: ok 7751
180: ok 7752
180: ok 7753
180: ok 7754
180: ok 7755
180: ok 7756
180: ok 7757
180: ok 7758
180: ok 7759
180: ok 7760
180: ok 7761
180: ok 7762
180: ok 7763
180: ok 7764
180: ok 7765
180: ok 7766
180: ok 7767
180: ok 7768
180: ok 7769
180: ok 7770
180: ok 7771
180: ok 7772
180: ok 7773
180: ok 7774
180: ok 7775
180: ok 7776
180: ok 7777
180: ok 7778
180: ok 7779
180: ok 7780
180: ok 7781
180: ok 7782
180: ok 7783
180: ok 7784
180: ok 7785
180: ok 7786
180: ok 7787
180: ok 7788
180: ok 7789
180: ok 7790
180: ok 7791
180: ok 7792
180: ok 7793
180: ok 7794
180: ok 7795
180: ok 7796
180: ok 7797
180: ok 7798
180: ok 7799
180: ok 7800
180: ok 7801
180: ok 7802
180: ok 7803
180: ok 7804
180: ok 7805
180: ok 7806
180: ok 7807
180: ok 7808
180: ok 7809
180: ok 7810
180: ok 7811
180: ok 7812
180: ok 7813
180: ok 7814
180: ok 7815
180: ok 7816
180: ok 7817
180: ok 7818
180: ok 7819
180: ok 7820
180: ok 7821
180: ok 7822
180: ok 7823
180: ok 7824
180: ok 7825
180: ok 7826
180: ok 7827
180: ok 7828
180: ok 7829
180: ok 7830
180: ok 7831
180: ok 7832
180: ok 7833
180: ok 7834
180: ok 7835
180: ok 7836
180: ok 7837
180: ok 7838
180: ok 7839
180: ok 7840
180: ok 7841
180: ok 7842
180: ok 7843
180: ok 7844
180: ok 7845
180: ok 7846
180: ok 7847
180: ok 7848
180: ok 7849
180: ok 7850
180: ok 7851
180: ok 7852
180: ok 7853
180: ok 7854
180: ok 7855
180: ok 7856
180: ok 7857
180: ok 7858
180: ok 7859
180: ok 7860
180: ok 7861
180: ok 7862
180: ok 7863
180: ok 7864
180: ok 7865
180: ok 7866
180: ok 7867
180: ok 7868
180: ok 7869
180: ok 7870
180: ok 7871
180: ok 7872
180: ok 7873
180: ok 7874
180: ok 7875
180: ok 7876
180: ok 7877
180: ok 7878
180: ok 7879
180: ok 7880
180: ok 7881
180: ok 7882
180: ok 7883
180: ok 7884
180: ok 7885
180: ok 7886
180: ok 7887
180: ok 7888
180: ok 7889
180: ok 7890
180: ok 7891
180: ok 7892
180: ok 7893
180: ok 7894
180: ok 7895
180: ok 7896
180: ok 7897
180: ok 7898
180: ok 7899
180: ok 7900
180: ok 7901
180: ok 7902
180: ok 7903
180: ok 7904
180: ok 7905
180: ok 7906
180: ok 7907
180: ok 7908
180: ok 7909
180: ok 7910
180: ok 7911
180: ok 7912
180: ok 7913
180: ok 7914
180: ok 7915
180: ok 7916
180: ok 7917
180: ok 7918
180: ok 7919
180: ok 7920
180: ok 7921
180: ok 7922
180: ok 7923
180: ok 7924
180: ok 7925
180: ok 7926
180: ok 7927
180: ok 7928
180: ok 7929
180: ok 7930
180: ok 7931
180: ok 7932
180: ok 7933
180: ok 7934
180: ok 7935
180: ok 7936
180: ok 7937
180: ok 7938
180: ok 7939
180: ok 7940
180: ok 7941
180: ok 7942
180: ok 7943
180: ok 7944
180: ok 7945
180: ok 7946
180: ok 7947
180: ok 7948
180: ok 7949
180: ok 7950
180: ok 7951
180: ok 7952
180: ok 7953
180: ok 7954
180: ok 7955
180: ok 7956
180: ok 7957
180: ok 7958
180: ok 7959
180: ok 7960
180: ok 7961
180: ok 7962
180: ok 7963
180: ok 7964
180: ok 7965
180: ok 7966
180: ok 7967
180: ok 7968
180: ok 7969
180: ok 7970
180: ok 7971
180: ok 7972
180: ok 7973
180: ok 7974
180: ok 7975
180: ok 7976
180: ok 7977
180: ok 7978
180: ok 7979
180: ok 7980
180: ok 7981
180: ok 7982
180: ok 7983
180: ok 7984
180: ok 7985
180: ok 7986
180: ok 7987
180: ok 7988
180: ok 7989
180: ok 7990
180: ok 7991
180: ok 7992
180: ok 7993
180: ok 7994
180: ok 7995
180: ok 7996
180: ok 7997
180: ok 7998
180: ok 7999
180: ok 8000
180: ok 8001
180: ok 8002
180: ok 8003
180: ok 8004
180: ok 8005
180: ok 8006
180: ok 8007
180: ok 8008
180: ok 8009
180: ok 8010
180: ok 8011
180: ok 8012
180: ok 8013
180: ok 8014
180: ok 8015
180: ok 8016
180: ok 8017
180: ok 8018
180: ok 8019
180: ok 8020
180: ok 8021
180: ok 8022
180: ok 8023
180: ok 8024
180: ok 8025
180: ok 8026
180: ok 8027
180: ok 8028
180: ok 8029
180: ok 8030
180: ok 8031
180: ok 8032
180: ok 8033
180: ok 8034
180: ok 8035
180: ok 8036
180: ok 8037
180: ok 8038
180: ok 8039
180: ok 8040
180: ok 8041
180: ok 8042
180: ok 8043
180: ok 8044
180: ok 8045
180: ok 8046
180: ok 8047
180: ok 8048
180: ok 8049
180: ok 8050
180: ok 8051
180: ok 8052
180: ok 8053
180: ok 8054
180: ok 8055
180: ok 8056
180: ok 8057
180: ok 8058
180: ok 8059
180: ok 8060
180: ok 8061
180: ok 8062
180: ok 8063
180: ok 8064
180: ok 8065
180: ok 8066
180: ok 8067
180: ok 8068
180: ok 8069
180: ok 8070
180: ok 8071
180: ok 8072
180: ok 8073
180: ok 8074
180: ok 8075
180: ok 8076
180: ok 8077
180: ok 8078
180: ok 8079
180: ok 8080
180: ok 8081
180: ok 8082
180: ok 8083
180: ok 8084
180: ok 8085
180: ok 8086
180: ok 8087
180: ok 8088
180: ok 8089
180: ok 8090
180: ok 8091
180: ok 8092
180: ok 8093
180: ok 8094
180: ok 8095
180: ok 8096
180: ok 8097
180: ok 8098
180: ok 8099
180: ok 8100
180: ok 8101
180: ok 8102
180: ok 8103
180: ok 8104
180: ok 8105
180: ok 8106
180: ok 8107
180: ok 8108
180: ok 8109
180: ok 8110
180: ok 8111
180: ok 8112
180: ok 8113
180: ok 8114
180: ok 8115
180: ok 8116
180: ok 8117
180: ok 8118
180: ok 8119
180: ok 8120
180: ok 8121
180: ok 8122
180: ok 8123
180: ok 8124
180: ok 8125
180: ok 8126
180: ok 8127
180: ok 8128
180: ok 8129
180: ok 8130
180: ok 8131
180: ok 8132
180: ok 8133
180: ok 8134
180: ok 8135
180: ok 8136
180: ok 8137
180: ok 8138
180: ok 8139
180: ok 8140
180: ok 8141
180: ok 8142
180: ok 8143
180: ok 8144
180: ok 8145
180: ok 8146
180: ok 8147
180: ok 8148
180: ok 8149
180: ok 8150
180: ok 8151
180: ok 8152
180: ok 8153
180: ok 8154
180: ok 8155
180: ok 8156
180: ok 8157
180: ok 8158
180: ok 8159
180: ok 8160
180: ok 8161
180: ok 8162
180: ok 8163
180: ok 8164
180: ok 8165
180: ok 8166
180: ok 8167
180: ok 8168
180: ok 8169
180: ok 8170
180: ok 8171
180: ok 8172
180: ok 8173
180: ok 8174
180: ok 8175
180: ok 8176
180: ok 8177
180: ok 8178
180: ok 8179
180: ok 8180
180: ok 8181
180: ok 8182
180: ok 8183
180: ok 8184
180: ok 8185
180: ok 8186
180: ok 8187
180: ok 8188
180: ok 8189
180: ok 8190
180: ok 8191
180: ok 8192
180: ok 8193
180: ok 8194
180: ok 8195
180: ok 8196
180: ok 8197
180: ok 8198
180: ok 8199
180: ok 8200
180: ok 8201
180: ok 8202
180: ok 8203
180: ok 8204
180: ok 8205
180: ok 8206
180: ok 8207
180: ok 8208
180: ok 8209
180: ok 8210
180: ok 8211
180: ok 8212
180: ok 8213
180: ok 8214
180: ok 8215
180: ok 8216
180: ok 8217
180: ok 8218
180: ok 8219
180: ok 8220
180: ok 8221
180: ok 8222
180: ok 8223
180: ok 8224
180: ok 8225
180: ok 8226
180: ok 8227
180: ok 8228
180: ok 8229
180: ok 8230
180: ok 8231
180: ok 8232
180: ok 8233
180: ok 8234
180: ok 8235
180: ok 8236
180: ok 8237
180: ok 8238
180: ok 8239
180: ok 8240
180: ok 8241
180: ok 8242
180: ok 8243
180: ok 8244
180: ok 8245
180: ok 8246
180: ok 8247
180: ok 8248
180: ok 8249
180: ok 8250
180: ok 8251
180: ok 8252
180: ok 8253
180: ok 8254
180: ok 8255
180: ok 8256
180: ok 8257
180: ok 8258
180: ok 8259
180: ok 8260
180: ok 8261
180: ok 8262
180: ok 8263
180: ok 8264
180: ok 8265
180: ok 8266
180: ok 8267
180: ok 8268
180: ok 8269
180: ok 8270
180: ok 8271
180: ok 8272
180: ok 8273
180: ok 8274
180: ok 8275
180: ok 8276
180: ok 8277
180: ok 8278
180: ok 8279
180: ok 8280
180: ok 8281
180: ok 8282
180: ok 8283
180: ok 8284
180: ok 8285
180: ok 8286
180: ok 8287
180: ok 8288
180: ok 8289
180: ok 8290
180: ok 8291
180: ok 8292
180: ok 8293
180: ok 8294
180: ok 8295
180: ok 8296
180: ok 8297
180: ok 8298
180: ok 8299
180: ok 8300
180: ok 8301
180: ok 8302
180: ok 8303
180: ok 8304
180: ok 8305
180: ok 8306
180: ok 8307
180: ok 8308
180: ok 8309
180: ok 8310
180: ok 8311
180: ok 8312
180: ok 8313
180: ok 8314
180: ok 8315
180: ok 8316
180: ok 8317
180: ok 8318
180: ok 8319
180: ok 8320
180: ok 8321
180: ok 8322
180: ok 8323
180: ok 8324
180: ok 8325
180: ok 8326
180: ok 8327
180: ok 8328
180: ok 8329
180: ok 8330
180: ok 8331
180: ok 8332
180: ok 8333
180: ok 8334
180: ok 8335
180: ok 8336
180: ok 8337
180: ok 8338
180: ok 8339
180: ok 8340
180: ok 8341
180: ok 8342
180: ok 8343
180: ok 8344
180: ok 8345
180: ok 8346
180: ok 8347
180: ok 8348
180: ok 8349
180: ok 8350
180: ok 8351
180: ok 8352
180: ok 8353
180: ok 8354
180: ok 8355
180: ok 8356
180: ok 8357
180: ok 8358
180: ok 8359
180: ok 8360
180: ok 8361
180: ok 8362
180: ok 8363
180: ok 8364
180: ok 8365
180: ok 8366
180: ok 8367
180: ok 8368
180: ok 8369
180: ok 8370
180: ok 8371
180: ok 8372
180: ok 8373
180: ok 8374
180: ok 8375
180: ok 8376
180: ok 8377
180: ok 8378
180: ok 8379
180: ok 8380
180: ok 8381
180: ok 8382
180: ok 8383
180: ok 8384
180: ok 8385
180: ok 8386
180: ok 8387
180: ok 8388
180: ok 8389
180: ok 8390
180: ok 8391
180: ok 8392
180: ok 8393
180: ok 8394
180: ok 8395
180: ok 8396
180: ok 8397
180: ok 8398
180: ok 8399
180: ok 8400
180: ok 8401
180: ok 8402
180: ok 8403
180: ok 8404
180: ok 8405
180: ok 8406
180: ok 8407
180: ok 8408
180: ok 8409
180: ok 8410
180: ok 8411
180: ok 8412
180: ok 8413
180: ok 8414
180: ok 8415
180: ok 8416
180: ok 8417
180: ok 8418
180: ok 8419
180: ok 8420
180: ok 8421
180: ok 8422
180: ok 8423
180: ok 8424
180: ok 8425
180: ok 8426
180: ok 8427
180: ok 8428
180: ok 8429
180: ok 8430
180: ok 8431
180: ok 8432
180: ok 8433
180: ok 8434
180: ok 8435
180: ok 8436
180: ok 8437
180: ok 8438
180: ok 8439
180: ok 8440
180: ok 8441
180: ok 8442
180: ok 8443
180: ok 8444
180: ok 8445
180: ok 8446
180: ok 8447
180: ok 8448
180: ok 8449
180: ok 8450
180: ok 8451
180: ok 8452
180: ok 8453
180: ok 8454
180: ok 8455
180: ok 8456
180: ok 8457
180: ok 8458
180: ok 8459
180: ok 8460
180: ok 8461
180: ok 8462
180: ok 8463
180: ok 8464
180: ok 8465
180: ok 8466
180: ok 8467
180: ok 8468
180: ok 8469
180: ok 8470
180: ok 8471
180: ok 8472
180: ok 8473
180: ok 8474
180: ok 8475
180: ok 8476
180: ok 8477
180: ok 8478
180: ok 8479
180: ok 8480
180: ok 8481
180: ok 8482
180: ok 8483
180: ok 8484
180: ok 8485
180: ok 8486
180: ok 8487
180: ok 8488
180: ok 8489
180: ok 8490
180: ok 8491
180: ok 8492
180: ok 8493
180: ok 8494
180: ok 8495
180: ok 8496
180: ok 8497
180: ok 8498
180: ok 8499
180: ok 8500
180: ok 8501
180: ok 8502
180: ok 8503
180: ok 8504
180: ok 8505
180: ok 8506
180: ok 8507
180: ok 8508
180: ok 8509
180: ok 8510
180: ok 8511
180: ok 8512
180: ok 8513
180: ok 8514
180: ok 8515
180: ok 8516
180: ok 8517
180: ok 8518
180: ok 8519
180: ok 8520
180: ok 8521
180: ok 8522
180: ok 8523
180: ok 8524
180: ok 8525
180: ok 8526
180: ok 8527
180: ok 8528
180: ok 8529
180: ok 8530
180: ok 8531
180: ok 8532
180: ok 8533
180: ok 8534
180: ok 8535
180: ok 8536
180: ok 8537
180: ok 8538
180: ok 8539
180: ok 8540
180: ok 8541
180: ok 8542
180: ok 8543
180: ok 8544
180: ok 8545
180: ok 8546
180: ok 8547
180: ok 8548
180: ok 8549
180: ok 8550
180: ok 8551
180: ok 8552
180: ok 8553
180: ok 8554
180: ok 8555
180: ok 8556
180: ok 8557
180: ok 8558
180: ok 8559
180: ok 8560
180: ok 8561
180: ok 8562
180: ok 8563
180: ok 8564
180: ok 8565
180: ok 8566
180: ok 8567
180: ok 8568
180: ok 8569
180: ok 8570
180: ok 8571
180: ok 8572
180: ok 8573
180: ok 8574
180: ok 8575
180: ok 8576
180: ok 8577
180: ok 8578
180: ok 8579
180: ok 8580
180: ok 8581
180: ok 8582
180: ok 8583
180: ok 8584
180: ok 8585
180: ok 8586
180: ok 8587
180: ok 8588
180: ok 8589
180: ok 8590
180: ok 8591
180: ok 8592
180: ok 8593
180: ok 8594
180: ok 8595
180: ok 8596
180: ok 8597
180: ok 8598
180: ok 8599
180: ok 8600
180: ok 8601
180: ok 8602
180: ok 8603
180: ok 8604
180: ok 8605
180: ok 8606
180: ok 8607
180: ok 8608
180: ok 8609
180: ok 8610
180: ok 8611
180: ok 8612
180: ok 8613
180: ok 8614
180: ok 8615
180: ok 8616
180: ok 8617
180: ok 8618
180: ok 8619
180: ok 8620
180: ok 8621
180: ok 8622
180: ok 8623
180: ok 8624
180: ok 8625
180: ok 8626
180: ok 8627
180: ok 8628
180: ok 8629
180: ok 8630
180: ok 8631
180: ok 8632
180: ok 8633
180: ok 8634
180: ok 8635
180: ok 8636
180: ok 8637
180: ok 8638
180: ok 8639
180: ok 8640
180: ok 8641
180: ok 8642
180: ok 8643
180: ok 8644
180: ok 8645
180: ok 8646
180: ok 8647
180: ok 8648
180: ok 8649
180: ok 8650
180: ok 8651
180: ok 8652
180: ok 8653
180: ok 8654
180: ok 8655
180: ok 8656
180: ok 8657
180: ok 8658
180: ok 8659
180: ok 8660
180: ok 8661
180: ok 8662
180: ok 8663
180: ok 8664
180: ok 8665
180: ok 8666
180: ok 8667
180: ok 8668
180: ok 8669
180: ok 8670
180: ok 8671
180: ok 8672
180: ok 8673
180: ok 8674
180: ok 8675
180: ok 8676
180: ok 8677
180: ok 8678
180: ok 8679
180: ok 8680
180: ok 8681
180: ok 8682
180: ok 8683
180: ok 8684
180: ok 8685
180: ok 8686
180: ok 8687
180: ok 8688
180: ok 8689
180: ok 8690
180: ok 8691
180: ok 8692
180: ok 8693
180: ok 8694
180: ok 8695
180: ok 8696
180: ok 8697
180: ok 8698
180: ok 8699
180: ok 8700
180: ok 8701
180: ok 8702
180: ok 8703
180: ok 8704
180: ok 8705
180: ok 8706
180: ok 8707
180: ok 8708
180: ok 8709
180: ok 8710
180: ok 8711
180: ok 8712
180: ok 8713
180: ok 8714
180: ok 8715
180: ok 8716
180: ok 8717
180: ok 8718
180: ok 8719
180: ok 8720
180: ok 8721
180: ok 8722
180: ok 8723
180: ok 8724
180: ok 8725
180: ok 8726
180: ok 8727
180: ok 8728
180: ok 8729
180: ok 8730
180: ok 8731
180: ok 8732
180: ok 8733
180: ok 8734
180: ok 8735
180: ok 8736
180: ok 8737
180: ok 8738
180: ok 8739
180: ok 8740
180: ok 8741
180: ok 8742
180: ok 8743
180: ok 8744
180: ok 8745
180: ok 8746
180: ok 8747
180: ok 8748
180: ok 8749
180: ok 8750
180: ok 8751
180: ok 8752
180: ok 8753
180: ok 8754
180: ok 8755
180: ok 8756
180: ok 8757
180: ok 8758
180: ok 8759
180: ok 8760
180: ok 8761
180: ok 8762
180: ok 8763
180: ok 8764
180: ok 8765
180: ok 8766
180: ok 8767
180: ok 8768
180: ok 8769
180: ok 8770
180: ok 8771
180: ok 8772
180: ok 8773
180: ok 8774
180: ok 8775
180: ok 8776
180: ok 8777
180: ok 8778
180: ok 8779
180: ok 8780
180: ok 8781
180: ok 8782
180: ok 8783
180: ok 8784
180: ok 8785
180: ok 8786
180: ok 8787
180: ok 8788
180: ok 8789
180: ok 8790
180: ok 8791
180: ok 8792
180: ok 8793
180: ok 8794
180: ok 8795
180: ok 8796
180: ok 8797
180: ok 8798
180: ok 8799
180: ok 8800
180: ok 8801
180: ok 8802
180: ok 8803
180: ok 8804
180: ok 8805
180: ok 8806
180: ok 8807
180: ok 8808
180: ok 8809
180: ok 8810
180: ok 8811
180: ok 8812
180: ok 8813
180: ok 8814
180: ok 8815
180: ok 8816
180: ok 8817
180: ok 8818
180: ok 8819
180: ok 8820
180: ok 8821
180: ok 8822
180: ok 8823
180: ok 8824
180: ok 8825
180: ok 8826
180: ok 8827
180: ok 8828
180: ok 8829
180: ok 8830
180: ok 8831
180: ok 8832
180: ok 8833
180: ok 8834
180: ok 8835
180: ok 8836
180: ok 8837
180: ok 8838
180: ok 8839
180: ok 8840
180: ok 8841
180: ok 8842
180: ok 8843
180: ok 8844
180: ok 8845
180: ok 8846
180: ok 8847
180: ok 8848
180: ok 8849
180: ok 8850
180: ok 8851
180: ok 8852
180: ok 8853
180: ok 8854
180: ok 8855
180: ok 8856
180: ok 8857
180: ok 8858
180: ok 8859
180: ok 8860
180: ok 8861
180: ok 8862
180: ok 8863
180: ok 8864
180: ok 8865
180: ok 8866
180: ok 8867
180: ok 8868
180: ok 8869
180: ok 8870
180: ok 8871
180: ok 8872
180: ok 8873
180: ok 8874
180: ok 8875
180: ok 8876
180: ok 8877
180: ok 8878
180: ok 8879
180: ok 8880
180: ok 8881
180: ok 8882
180: ok 8883
180: ok 8884
180: ok 8885
180: ok 8886
180: ok 8887
180: ok 8888
180: ok 8889
180: ok 8890
180: ok 8891
180: ok 8892
180: ok 8893
180: ok 8894
180: ok 8895
180: ok 8896
180: ok 8897
180: ok 8898
180: ok 8899
180: ok 8900
180: ok 8901
180: ok 8902
180: ok 8903
180: ok 8904
180: ok 8905
180: ok 8906
180: ok 8907
180: ok 8908
180: ok 8909
180: ok 8910
180: ok 8911
180: ok 8912
180: ok 8913
180: ok 8914
180: ok 8915
180: ok 8916
180: ok 8917
180: ok 8918
180: ok 8919
180: ok 8920
180: ok 8921
180: ok 8922
180: ok 8923
180: ok 8924
180: ok 8925
180: ok 8926
180: ok 8927
180: ok 8928
180: ok 8929
180: ok 8930
180: ok 8931
180: ok 8932
180: ok 8933
180: ok 8934
180: ok 8935
180: ok 8936
180: ok 8937
180: ok 8938
180: ok 8939
180: ok 8940
180: ok 8941
180: ok 8942
180: ok 8943
180: ok 8944
180: ok 8945
180: ok 8946
180: ok 8947
180: ok 8948
180: ok 8949
180: ok 8950
180: ok 8951
180: ok 8952
180: ok 8953
180: ok 8954
180: ok 8955
180: ok 8956
180: ok 8957
180: ok 8958
180: ok 8959
180: ok 8960
180: ok 8961
180: ok 8962
180: ok 8963
180: ok 8964
180: ok 8965
180: ok 8966
180: ok 8967
180: ok 8968
180: ok 8969
180: ok 8970
180: ok 8971
180: ok 8972
180: ok 8973
180: ok 8974
180: ok 8975
180: ok 8976
180: ok 8977
180: ok 8978
180: ok 8979
180: ok 8980
180: ok 8981
180: ok 8982
180: ok 8983
180: ok 8984
180: ok 8985
180: ok 8986
180: ok 8987
180: ok 8988
180: ok 8989
180: ok 8990
180: ok 8991
180: ok 8992
180: ok 8993
180: ok 8994
180: ok 8995
180: ok 8996
180: ok 8997
180: ok 8998
180: ok 8999
180: ok 9000
180: ok 9001
180: ok 9002
180: ok 9003
180: ok 9004
180: ok 9005
180: ok 9006
180: ok 9007
180: ok 9008
180: ok 9009
180: ok 9010
180: ok 9011
180: ok 9012
180: ok 9013
180: ok 9014
180: ok 9015
180: ok 9016
180: ok 9017
180: ok 9018
180: ok 9019
180: ok 9020
180: ok 9021
180: ok 9022
180: ok 9023
180: ok 9024
180: ok 9025
180: ok 9026
180: ok 9027
180: ok 9028
180: ok 9029
180: ok 9030
180: ok 9031
180: ok 9032
180: ok 9033
180: ok 9034
180: ok 9035
180: ok 9036
180: ok 9037
180: ok 9038
180: ok 9039
180: ok 9040
180: ok 9041
180: ok 9042
180: ok 9043
180: ok 9044
180: ok 9045
180: ok 9046
180: ok 9047
180: ok 9048
180: ok 9049
180: ok 9050
180: ok 9051
180: ok 9052
180: ok 9053
180: ok 9054
180: ok 9055
180: ok 9056
180: ok 9057
180: ok 9058
180: ok 9059
180: ok 9060
180: ok 9061
180: ok 9062
180: ok 9063
180: ok 9064
180: ok 9065
180: ok 9066
180: ok 9067
180: ok 9068
180: ok 9069
180: ok 9070
180: ok 9071
180: ok 9072
180: ok 9073
180: ok 9074
180: ok 9075
180: ok 9076
180: ok 9077
180: ok 9078
180: ok 9079
180: ok 9080
180: ok 9081
180: ok 9082
180: ok 9083
180: ok 9084
180: ok 9085
180: ok 9086
180: ok 9087
180: ok 9088
180: ok 9089
180: ok 9090
180: ok 9091
180: ok 9092
180: ok 9093
180: ok 9094
180: ok 9095
180: ok 9096
180: ok 9097
180: ok 9098
180: ok 9099
180: ok 9100
180: ok 9101
180: ok 9102
180: ok 9103
180: ok 9104
180: ok 9105
180: ok 9106
180: ok 9107
180: ok 9108
180: ok 9109
180: ok 9110
180: ok 9111
180: ok 9112
180: ok 9113
180: ok 9114
180: ok 9115
180: ok 9116
180: ok 9117
180: ok 9118
180: ok 9119
180: ok 9120
180: ok 9121
180: ok 9122
180: ok 9123
180: ok 9124
180: ok 9125
180: ok 9126
180: ok 9127
180: ok 9128
180: ok 9129
180: ok 9130
180: ok 9131
180: ok 9132
180: ok 9133
180: ok 9134
180: ok 9135
180: ok 9136
180: ok 9137
180: ok 9138
180: ok 9139
180: ok 9140
180: ok 9141
180: ok 9142
180: ok 9143
180: ok 9144
180: ok 9145
180: ok 9146
180: ok 9147
180: ok 9148
180: ok 9149
180: ok 9150
180: ok 9151
180: ok 9152
180: ok 9153
180: ok 9154
180: ok 9155
180: ok 9156
180: ok 9157
180: ok 9158
180: ok 9159
180: ok 9160
180: ok 9161
180: ok 9162
180: ok 9163
180: ok 9164
180: ok 9165
180: ok 9166
180: ok 9167
180: ok 9168
180: ok 9169
180: ok 9170
180: ok 9171
180: ok 9172
180: ok 9173
180: ok 9174
180: ok 9175
180: ok 9176
180: ok 9177
180: ok 9178
180: ok 9179
180: ok 9180
180: ok 9181
180: ok 9182
180: ok 9183
180: ok 9184
180: ok 9185
180: ok 9186
180: ok 9187
180: ok 9188
180: ok 9189
180: ok 9190
180: ok 9191
180: ok 9192
180: ok 9193
180: ok 9194
180: ok 9195
180: ok 9196
180: ok 9197
180: ok 9198
180: ok 9199
180: ok 9200
180: ok 9201
180: ok 9202
180: ok 9203
180: ok 9204
180: ok 9205
180: ok 9206
180: ok 9207
180: ok 9208
180: ok 9209
180: ok 9210
180: ok 9211
180: ok 9212
180: ok 9213
180: ok 9214
180: ok 9215
180: ok 9216
180: ok 9217
180: ok 9218
180: ok 9219
180: ok 9220
180: ok 9221
180: ok 9222
180: ok 9223
180: ok 9224
180: ok 9225
180: ok 9226
180: ok 9227
180: ok 9228
180: ok 9229
180: ok 9230
180: ok 9231
180: ok 9232
180: ok 9233
180: ok 9234
180: ok 9235
180: ok 9236
180: ok 9237
180: ok 9238
180: ok 9239
180: ok 9240
180: ok 9241
180: ok 9242
180: ok 9243
180: ok 9244
180: ok 9245
180: ok 9246
180: ok 9247
180: ok 9248
180: ok 9249
180: ok 9250
180: ok 9251
180: ok 9252
180: ok 9253
180: ok 9254
180: ok 9255
180: ok 9256
180: ok 9257
180: ok 9258
180: ok 9259
180: ok 9260
180: ok 9261
180: ok 9262
180: ok 9263
180: ok 9264
180: ok 9265
180: ok 9266
180: ok 9267
180: ok 9268
180: ok 9269
180: ok 9270
180: ok 9271
180: ok 9272
180: ok 9273
180: ok 9274
180: ok 9275
180: ok 9276
180: ok 9277
180: ok 9278
180: ok 9279
180: ok 9280
180: ok 9281
180: ok 9282
180: ok 9283
180: ok 9284
180: ok 9285
180: ok 9286
180: ok 9287
180: ok 9288
180: ok 9289
180: ok 9290
180: ok 9291
180: ok 9292
180: ok 9293
180: ok 9294
180: ok 9295
180: ok 9296
180: ok 9297
180: ok 9298
180: ok 9299
180: ok 9300
180: ok 9301
180: ok 9302
180: ok 9303
180: ok 9304
180: ok 9305
180: ok 9306
180: ok 9307
180: ok 9308
180: ok 9309
180: ok 9310
180: ok 9311
180: ok 9312
180: ok 9313
180: ok 9314
180: ok 9315
180: ok 9316
180: ok 9317
180: ok 9318
180: ok 9319
180: ok 9320
180: ok 9321
180: ok 9322
180: ok 9323
180: ok 9324
180: ok 9325
180: ok 9326
180: ok 9327
180: ok 9328
180: ok 9329
180: ok 9330
180: ok 9331
180: ok 9332
180: ok 9333
180: ok 9334
180: ok 9335
180: ok 9336
180: ok 9337
180: ok 9338
180: ok 9339
180: ok 9340
180: ok 9341
180: ok 9342
180: ok 9343
180: ok 9344
180: ok 9345
180: ok 9346
180: ok 9347
180: ok 9348
180: ok 9349
180: ok 9350
180: ok 9351
180: ok 9352
180: ok 9353
180: ok 9354
180: ok 9355
180: ok 9356
180: ok 9357
180: ok 9358
180: ok 9359
180: ok 9360
180: ok 9361
180: ok 9362
180: ok 9363
180: ok 9364
180: ok 9365
180: ok 9366
180: ok 9367
180: ok 9368
180: ok 9369
180: ok 9370
180: ok 9371
180: ok 9372
180: ok 9373
180: ok 9374
180: ok 9375
180: ok 9376
180: ok 9377
180: ok 9378
180: ok 9379
180: ok 9380
180: ok 9381
180: ok 9382
180: ok 9383
180: ok 9384
180: ok 9385
180: ok 9386
180: ok 9387
180: ok 9388
180: ok 9389
180: ok 9390
180: ok 9391
180: ok 9392
180: ok 9393
180: ok 9394
180: ok 9395
180: ok 9396
180: ok 9397
180: ok 9398
180: ok 9399
180: ok 9400
180: ok 9401
180: ok 9402
180: ok 9403
180: ok 9404
180: ok 9405
180: ok 9406
180: ok 9407
180: ok 9408
180: ok 9409
180: ok 9410
180: ok 9411
180: ok 9412
180: ok 9413
180: ok 9414
180: ok 9415
180: ok 9416
180: ok 9417
180: ok 9418
180: ok 9419
180: ok 9420
180: ok 9421
180: ok 9422
180: ok 9423
180: ok 9424
180: ok 9425
180: ok 9426
180: ok 9427
180: ok 9428
180: ok 9429
180: ok 9430
180: ok 9431
180: ok 9432
180: ok 9433
180: ok 9434
180: ok 9435
180: ok 9436
180: ok 9437
180: ok 9438
180: ok 9439
180: ok 9440
180: ok 9441
180: ok 9442
180: ok 9443
180: ok 9444
180: ok 9445
180: ok 9446
180: ok 9447
180: ok 9448
180: ok 9449
180: ok 9450
180: ok 9451
180: ok 9452
180: ok 9453
180: ok 9454
180: ok 9455
180: ok 9456
180: ok 9457
180: ok 9458
180: ok 9459
180: ok 9460
180: ok 9461
180: ok 9462
180: ok 9463
180: ok 9464
180: ok 9465
180: ok 9466
180: ok 9467
180: ok 9468
180: ok 9469
180: ok 9470
180: ok 9471
180: ok 9472
180: ok 9473
180: ok 9474
180: ok 9475
180: ok 9476
180: ok 9477
180: ok 9478
180: ok 9479
180: ok 9480
180: ok 9481
180: ok 9482
180: ok 9483
180: ok 9484
180: ok 9485
180: ok 9486
180: ok 9487
180: ok 9488
180: ok 9489
180: ok 9490
180: ok 9491
180: ok 9492
180: ok 9493
180: ok 9494
180: ok 9495
180: ok 9496
180: ok 9497
180: ok 9498
180: ok 9499
180: ok 9500
180: ok 9501
180: ok 9502
180: ok 9503
180: ok 9504
180: ok 9505
180: ok 9506
180: ok 9507
180: ok 9508
180: ok 9509
180: ok 9510
180: ok 9511
180: ok 9512
180: ok 9513
180: ok 9514
180: ok 9515
180: ok 9516
180: ok 9517
180: ok 9518
180: ok 9519
180: ok 9520
180: ok 9521
180: ok 9522
180: ok 9523
180: ok 9524
180: ok 9525
180: ok 9526
180: ok 9527
180: ok 9528
180: ok 9529
180: ok 9530
180: ok 9531
180: ok 9532
180: ok 9533
180: ok 9534
180: ok 9535
180: ok 9536
180: ok 9537
180: ok 9538
180: ok 9539
180: ok 9540
180: ok 9541
180: ok 9542
180: ok 9543
180: ok 9544
180: ok 9545
180: ok 9546
180: ok 9547
180: ok 9548
180: ok 9549
180: ok 9550
180: ok 9551
180: ok 9552
180: ok 9553
180: ok 9554
180: ok 9555
180: ok 9556
180: ok 9557
180: ok 9558
180: ok 9559
180: ok 9560
180: ok 9561
180: ok 9562
180: ok 9563
180: ok 9564
180: ok 9565
180: ok 9566
180: ok 9567
180: ok 9568
180: ok 9569
180: ok 9570
180: ok 9571
180: ok 9572
180: ok 9573
180: ok 9574
180: ok 9575
180: ok 9576
180: ok 9577
180: ok 9578
180: ok 9579
180: ok 9580
180: ok 9581
180: ok 9582
180: ok 9583
180: ok 9584
180: ok 9585
180: ok 9586
180: ok 9587
180: ok 9588
180: ok 9589
180: ok 9590
180: ok 9591
180: ok 9592
180: ok 9593
180: ok 9594
180: ok 9595
180: ok 9596
180: ok 9597
180: ok 9598
180: ok 9599
180: ok 9600
180: ok 9601
180: ok 9602
180: ok 9603
180: ok 9604
180: ok 9605
180: ok 9606
180: ok 9607
180: ok 9608
180: ok 9609
180: ok 9610
180: ok 9611
180: ok 9612
180: ok 9613
180: ok 9614
180: ok 9615
180: ok 9616
180: ok 9617
180: ok 9618
180: ok 9619
180: ok 9620
180: ok 9621
180: ok 9622
180: ok 9623
180: ok 9624
180: ok 9625
180: ok 9626
180: ok 9627
180: ok 9628
180: ok 9629
180: ok 9630
180: ok 9631
180: ok 9632
180: ok 9633
180: ok 9634
180: ok 9635
180: ok 9636
180: ok 9637
180: ok 9638
180: ok 9639
180: ok 9640
180: ok 9641
180: ok 9642
180: ok 9643
180: ok 9644
180: ok 9645
180: ok 9646
180: ok 9647
180: ok 9648
180: ok 9649
180: ok 9650
180: ok 9651
180: ok 9652
180: ok 9653
180: ok 9654
180: ok 9655
180: ok 9656
180: ok 9657
180: ok 9658
180: ok 9659
180: ok 9660
180: ok 9661
180: ok 9662
180: ok 9663
180: ok 9664
180: ok 9665
180: ok 9666
180: ok 9667
180: ok 9668
180: ok 9669
180: ok 9670
180: ok 9671
180: ok 9672
180: ok 9673
180: ok 9674
180: ok 9675
180: ok 9676
180: ok 9677
180: ok 9678
180: ok 9679
180: ok 9680
180: ok 9681
180: ok 9682
180: ok 9683
180: ok 9684
180: ok 9685
180: ok 9686
180: ok 9687
180: ok 9688
180: ok 9689
180: ok 9690
180: ok 9691
180: ok 9692
180: ok 9693
180: ok 9694
180: ok 9695
180: ok 9696
180: ok 9697
180: ok 9698
180: ok 9699
180: ok 9700
180: ok 9701
180: ok 9702
180: ok 9703
180: ok 9704
180: ok 9705
180: ok 9706
180: ok 9707
180: ok 9708
180: ok 9709
180: ok 9710
180: ok 9711
180: ok 9712
180: ok 9713
180: ok 9714
180: ok 9715
180: ok 9716
180: ok 9717
180: ok 9718
180: ok 9719
180: ok 9720
180: ok 9721
180: ok 9722
180: ok 9723
180: ok 9724
180: ok 9725
180: ok 9726
180: ok 9727
180: ok 9728
180: ok 9729
180: ok 9730
180: ok 9731
180: ok 9732
180: ok 9733
180: ok 9734
180: ok 9735
180: ok 9736
180: ok 9737
180: ok 9738
180: ok 9739
180: ok 9740
180: ok 9741
180: ok 9742
180: ok 9743
180: ok 9744
180: ok 9745
180: ok 9746
180: ok 9747
180: ok 9748
180: ok 9749
180: ok 9750
180: ok 9751
180: ok 9752
180: ok 9753
180: ok 9754
180: ok 9755
180: ok 9756
180: ok 9757
180: ok 9758
180: ok 9759
180: ok 9760
180: ok 9761
180: ok 9762
180: ok 9763
180: ok 9764
180: ok 9765
180: ok 9766
180: ok 9767
180: ok 9768
180: ok 9769
180: ok 9770
180: ok 9771
180: ok 9772
180: ok 9773
180: ok 9774
180: ok 9775
180: ok 9776
180: ok 9777
180: ok 9778
180: ok 9779
180: ok 9780
180: ok 9781
180: ok 9782
180: ok 9783
180: ok 9784
180: ok 9785
180: ok 9786
180: ok 9787
180: ok 9788
180: ok 9789
180: ok 9790
180: ok 9791
180: ok 9792
180: ok 9793
180: ok 9794
180: ok 9795
180: ok 9796
180: ok 9797
180: ok 9798
180: ok 9799
180: ok 9800
180: ok 9801
180: ok 9802
180: ok 9803
180: ok 9804
180: ok 9805
180: ok 9806
180: ok 9807
180: ok 9808
180: ok 9809
180: ok 9810
180: ok 9811
180: ok 9812
180: ok 9813
180: ok 9814
180: ok 9815
180: ok 9816
180: ok 9817
180: ok 9818
180: ok 9819
180: ok 9820
180: ok 9821
180: ok 9822
180: ok 9823
180: ok 9824
180: ok 9825
180: ok 9826
180: ok 9827
180: ok 9828
180: ok 9829
180: ok 9830
180: ok 9831
180: ok 9832
180: ok 9833
180: ok 9834
180: ok 9835
180: ok 9836
180: ok 9837
180: ok 9838
180: ok 9839
180: ok 9840
180: ok 9841
180: ok 9842
180: ok 9843
180: ok 9844
180: ok 9845
180: ok 9846
180: ok 9847
180: ok 9848
180: ok 9849
180: ok 9850
180: ok 9851
180: ok 9852
180: ok 9853
180: ok 9854
180: ok 9855
180: ok 9856
180: ok 9857
180: ok 9858
180: ok 9859
180: ok 9860
180: ok 9861
180: ok 9862
180: ok 9863
180: ok 9864
180: ok 9865
180: ok 9866
180: ok 9867
180: ok 9868
180: ok 9869
180: ok 9870
180: ok 9871
180: ok 9872
180: ok 9873
180: ok 9874
180: ok 9875
180: ok 9876
180: ok 9877
180: ok 9878
180: ok 9879
180: ok 9880
180: ok 9881
180: ok 9882
180: ok 9883
180: ok 9884
180: ok 9885
180: ok 9886
180: ok 9887
180: ok 9888
180: ok 9889
180: ok 9890
180: ok 9891
180: ok 9892
180: ok 9893
180: ok 9894
180: ok 9895
180: ok 9896
180: ok 9897
180: ok 9898
180: ok 9899
180: ok 9900
180: ok 9901
180: ok 9902
180: ok 9903
180: ok 9904
180: ok 9905
180: ok 9906
180: ok 9907
180: ok 9908
180: ok 9909
180: ok 9910
180: ok 9911
180: ok 9912
180: ok 9913
180: ok 9914
180: ok 9915
180: ok 9916
180: ok 9917
180: ok 9918
180: ok 9919
180: ok 9920
180: ok 9921
180: ok 9922
180: ok 9923
180: ok 9924
180: ok 9925
180: ok 9926
180: ok 9927
180: ok 9928
180: ok 9929
180: ok 9930
180: ok 9931
180: ok 9932
180: ok 9933
180: ok 9934
180: ok 9935
180: ok 9936
180: ok 9937
180: ok 9938
180: ok 9939
180: ok 9940
180: ok 9941
180: ok 9942
180: ok 9943
180: ok 9944
180: ok 9945
180: ok 9946
180: ok 9947
180: ok 9948
180: ok 9949
180: ok 9950
180: ok 9951
180: ok 9952
180: ok 9953
180: ok 9954
180: ok 9955
180: ok 9956
180: ok 9957
180: ok 9958
180: ok 9959
180: ok 9960
180: ok 9961
180: ok 9962
180: ok 9963
180: ok 9964
180: ok 9965
180: ok 9966
180: ok 9967
180: ok 9968
180: ok 9969
180: ok 9970
180: ok 9971
180: ok 9972
180: ok 9973
180: ok 9974
180: ok 9975
180: ok 9976
180: ok 9977
180: ok 9978
180: ok 9979
180: ok 9980
180: ok 9981
180: ok 9982
180: ok 9983
180: ok 9984
180: ok 9985
180: ok 9986
180: ok 9987
180: ok 9988
180: ok 9989
180: ok 9990
180: ok 9991
180: ok 9992
180: ok 9993
180: ok 9994
180: ok 9995
180: ok 9996
180: ok 9997
180: ok 9998
180: ok 9999
180: ok 10000
180: ok 10001
180: ok 10002
180: ok 10003
180: ok 10004
180: ok 10005
180: ok 10006
180: ok 10007
180: ok 10008
180: ok 10009
180: ok 10010
180: ok 10011
180: ok 10012
180: ok 10013
180: ok 10014
180: ok 10015
180: ok 10016
180: ok 10017
180: ok 10018
180: ok 10019
180: ok 10020
180: ok 10021
180: ok 10022
180: ok 10023
180: ok 10024
180: ok 10025
180: ok 10026
180: ok 10027
180: ok 10028
180: ok 10029
180: ok 10030
180: ok 10031
180: ok 10032
180: ok 10033
180: ok 10034
180: ok 10035
180: ok 10036
180: ok 10037
180: ok 10038
180: ok 10039
180: ok 10040
180: ok 10041
180: ok 10042
180: ok 10043
180: ok 10044
180: ok 10045
180: ok 10046
180: ok 10047
180: ok 10048
180: ok 10049
180: ok 10050
180: ok 10051
180: ok 10052
180: ok 10053
180: ok 10054
180: ok 10055
180: ok 10056
180: ok 10057
180: ok 10058
180: ok 10059
180: ok 10060
180: ok 10061
180: ok 10062
180: ok 10063
180: ok 10064
180: ok 10065
180: ok 10066
180: ok 10067
180: ok 10068
180: ok 10069
180: ok 10070
180: ok 10071
180: ok 10072
180: ok 10073
180: ok 10074
180: ok 10075
180: ok 10076
180: ok 10077
180: ok 10078
180: ok 10079
180: ok 10080
180: ok 10081
180: ok 10082
180: ok 10083
180: ok 10084
180: ok 10085
180: ok 10086
180: ok 10087
180: ok 10088
180: ok 10089
180: ok 10090
180: ok 10091
180: ok 10092
180: ok 10093
180: ok 10094
180: ok 10095
180: ok 10096
180: ok 10097
180: ok 10098
180: ok 10099
180: ok 10100
180: ok 10101
180: ok 10102
180: ok 10103
180: ok 10104
180: ok 10105
180: ok 10106
180: ok 10107
180: ok 10108
180: ok 10109
180: ok 10110
180: ok 10111
180: ok 10112
180: ok 10113
180: ok 10114
180: ok 10115
180: ok 10116
180: ok 10117
180: ok 10118
180: ok 10119
180: ok 10120
180: ok 10121
180: ok 10122
180: ok 10123
180: ok 10124
180: ok 10125
180: ok 10126
180: ok 10127
180: ok 10128
180: ok 10129
180: ok 10130
180: ok 10131
180: ok 10132
180: ok 10133
180: ok 10134
180: ok 10135
180: ok 10136
180: ok 10137
180: ok 10138
180: ok 10139
180: ok 10140
180: ok 10141
180: ok 10142
180: ok 10143
180: ok 10144
180: ok 10145
180: ok 10146
180: ok 10147
180: ok 10148
180: ok 10149
180: ok 10150
180: ok 10151
180: ok 10152
180: ok 10153
180: ok 10154
180: ok 10155
180: ok 10156
180: ok 10157
180: ok 10158
180: ok 10159
180: ok 10160
180: ok 10161
180: ok 10162
180: ok 10163
180: ok 10164
180: ok 10165
180: ok 10166
180: ok 10167
180: ok 10168
180: ok 10169
180: ok 10170
180: ok 10171
180: ok 10172
180: ok 10173
180: ok 10174
180: ok 10175
180: ok 10176
180: ok 10177
180: ok 10178
180: ok 10179
180: ok 10180
180: ok 10181
180: ok 10182
180: ok 10183
180: ok 10184
180: ok 10185
180: ok 10186
180: ok 10187
180: ok 10188
180: ok 10189
180: ok 10190
180: ok 10191
180: ok 10192
180: ok 10193
180: ok 10194
180: ok 10195
180: ok 10196
180: ok 10197
180: ok 10198
180: ok 10199
180: ok 10200
180: ok 10201
180: ok 10202
180: ok 10203
180: ok 10204
180: ok 10205
180: ok 10206
180: ok 10207
180: ok 10208
180: ok 10209
180: ok 10210
180: ok 10211
180: ok 10212
180: ok 10213
180: ok 10214
180: ok 10215
180: ok 10216
180: ok 10217
180: ok 10218
180: ok 10219
180: ok 10220
180: ok 10221
180: ok 10222
180: ok 10223
180: ok 10224
180: ok 10225
180: ok 10226
180: ok 10227
180: ok 10228
180: ok 10229
180: ok 10230
180: ok 10231
180: ok 10232
180: ok 10233
180: ok 10234
180: ok 10235
180: ok 10236
180: ok 10237
180: ok 10238
180: ok 10239
180: ok 10240
180: ok 10241
180: ok 10242
180: ok 10243
180: ok 10244
180: ok 10245
180: ok 10246
180: ok 10247
180: ok 10248
180: ok 10249
180: ok 10250
180: ok 10251
180: ok 10252
180: ok 10253
180: ok 10254
180: ok 10255
180: ok 10256
180: ok 10257
180: ok 10258
180: ok 10259
180: ok 10260
180: ok 10261
180: ok 10262
180: ok 10263
180: ok 10264
180: ok 10265
180: ok 10266
180: ok 10267
180: ok 10268
180: ok 10269
180: ok 10270
180: ok 10271
180: ok 10272
180: ok 10273
180: ok 10274
180: ok 10275
180: ok 10276
180: ok 10277
180: ok 10278
180: ok 10279
180: ok 10280
180: ok 10281
180: ok 10282
180: ok 10283
180: ok 10284
180: ok 10285
180: ok 10286
180: ok 10287
180: ok 10288
180: ok 10289
180: ok 10290
180: ok 10291
180: ok 10292
180: ok 10293
180: ok 10294
180: ok 10295
180: ok 10296
180: ok 10297
180: ok 10298
180: ok 10299
180: ok 10300
180: ok 10301
180: ok 10302
180: ok 10303
180: ok 10304
180: ok 10305
180: ok 10306
180: ok 10307
180: ok 10308
180: ok 10309
180: ok 10310
180: ok 10311
180: ok 10312
180: ok 10313
180: ok 10314
180: ok 10315
180: ok 10316
180: ok 10317
180: ok 10318
180: ok 10319
180: ok 10320
180: ok 10321
180: ok 10322
180: ok 10323
180: ok 10324
180: ok 10325
180: ok 10326
180: ok 10327
180: ok 10328
180: ok 10329
180: ok 10330
180: ok 10331
180: ok 10332
180: ok 10333
180: ok 10334
180: ok 10335
180: ok 10336
180: ok 10337
180: ok 10338
180: ok 10339
180: ok 10340
180: ok 10341
180: ok 10342
180: ok 10343
180: ok 10344
180: ok 10345
180: ok 10346
180: ok 10347
180: ok 10348
180: ok 10349
180: ok 10350
180: ok 10351
180: ok 10352
180: ok 10353
180: ok 10354
180: ok 10355
180: ok 10356
180: ok 10357
180: ok 10358
180: ok 10359
180: ok 10360
180: ok 10361
180: ok 10362
180: ok 10363
180: ok 10364
180: ok 10365
180: ok 10366
180: ok 10367
180: ok 10368
180: ok 10369
180: ok 10370
180: ok 10371
180: ok 10372
180: ok 10373
180: ok 10374
180: ok 10375
180: ok 10376
180: ok 10377
180: ok 10378
180: ok 10379
180: ok 10380
180: ok 10381
180: ok 10382
180: ok 10383
180: ok 10384
180: ok 10385
180: ok 10386
180: ok 10387
180: ok 10388
180: ok 10389
180: ok 10390
180: ok 10391
180: ok 10392
180: ok 10393
180: ok 10394
180: ok 10395
180: ok 10396
180: ok 10397
180: ok 10398
180: ok 10399
180: ok 10400
180: ok 10401
180: ok 10402
180: ok 10403
180: ok 10404
180: ok 10405
180: ok 10406
180: ok 10407
180: ok 10408
180: ok 10409
180: ok 10410
180: ok 10411
180: ok 10412
180: ok 10413
180: ok 10414
180: ok 10415
180: ok 10416
180: ok 10417
180: ok 10418
180: ok 10419
180: ok 10420
180: ok 10421
180: ok 10422
180: ok 10423
180: ok 10424
180: ok 10425
180: ok 10426
180: ok 10427
180: ok 10428
180: ok 10429
180: ok 10430
180: ok 10431
180: ok 10432
180: ok 10433
180: ok 10434
180: ok 10435
180: ok 10436
180: ok 10437
180: ok 10438
180: ok 10439
180: ok 10440
180: ok 10441
180: ok 10442
180: ok 10443
180: ok 10444
180: ok 10445
180: ok 10446
180: ok 10447
180: ok 10448
180: ok 10449
180: ok 10450
180: ok 10451
180: ok 10452
180: ok 10453
180: ok 10454
180: ok 10455
180: ok 10456
180: ok 10457
180: ok 10458
180: ok 10459
180: ok 10460
180: ok 10461
180: ok 10462
180: ok 10463
180: ok 10464
180: ok 10465
180: ok 10466
180: ok 10467
180: ok 10468
180: ok 10469
180: ok 10470
180: ok 10471
180: ok 10472
180: ok 10473
180: ok 10474
180: ok 10475
180: ok 10476
180: ok 10477
180: ok 10478
180: ok 10479
180: ok 10480
180: ok 10481
180: ok 10482
180: ok 10483
180: ok 10484
180: ok 10485
180: ok 10486
180: ok 10487
180: ok 10488
180: ok 10489
180: ok 10490
180: ok 10491
180: ok 10492
180: ok 10493
180: ok 10494
180: ok 10495
180: ok 10496
180: ok 10497
180: ok 10498
180: ok 10499
180: ok 10500
180: ok 10501
180: ok 10502
180: ok 10503
180: ok 10504
180: ok 10505
180: ok 10506
180: ok 10507
180: ok 10508
180: ok 10509
180: ok 10510
180: ok 10511
180: ok 10512
180: ok 10513
180: ok 10514
180: ok 10515
180: ok 10516
180: ok 10517
180: ok 10518
180: ok 10519
180: ok 10520
180: ok 10521
180: ok 10522
180: ok 10523
180: ok 10524
180: ok 10525
180: ok 10526
180: ok 10527
180: ok 10528
180: ok 10529
180: ok 10530
180: ok 10531
180: ok 10532
180: ok 10533
180: ok 10534
180: ok 10535
180: ok 10536
180: ok 10537
180: ok 10538
180: ok 10539
180: ok 10540
180: ok 10541
180: ok 10542
180: ok 10543
180: ok 10544
180: ok 10545
180: ok 10546
180: ok 10547
180: ok 10548
180: ok 10549
180: ok 10550
180: ok 10551
180: ok 10552
180: ok 10553
180: ok 10554
180: ok 10555
180: ok 10556
180: ok 10557
180: ok 10558
180: ok 10559
180: ok 10560
180: ok 10561
180: ok 10562
180: ok 10563
180: ok 10564
180: ok 10565
180: ok 10566
180: ok 10567
180: ok 10568
180: ok 10569
180: ok 10570
180: ok 10571
180: ok 10572
180: ok 10573
180: ok 10574
180: ok 10575
180: ok 10576
180: ok 10577
180: ok 10578
180: ok 10579
180: ok 10580
180: ok 10581
180: ok 10582
180: ok 10583
180: ok 10584
180: ok 10585
180: ok 10586
180: ok 10587
180: ok 10588
180: ok 10589
180: ok 10590
180: ok 10591
180: ok 10592
180: ok 10593
180: ok 10594
180: ok 10595
180: ok 10596
180: ok 10597
180: ok 10598
180: ok 10599
180: ok 10600
180: ok 10601
180: ok 10602
180: ok 10603
180: ok 10604
180: ok 10605
180: ok 10606
180: ok 10607
180: ok 10608
180: ok 10609
180: ok 10610
180: ok 10611
180: ok 10612
180: ok 10613
180: ok 10614
180: ok 10615
180: ok 10616
180: ok 10617
180: ok 10618
180: ok 10619
180: ok 10620
180: ok 10621
180: ok 10622
180: ok 10623
180: ok 10624
180: ok 10625
180: ok 10626
180: ok 10627
180: ok 10628
180: ok 10629
180: ok 10630
180: ok 10631
180: ok 10632
180: ok 10633
180: ok 10634
180: ok 10635
180: ok 10636
180: ok 10637
180: ok 10638
180: ok 10639
180: ok 10640
180: ok 10641
180: ok 10642
180: ok 10643
180: ok 10644
180: ok 10645
180: ok 10646
180: ok 10647
180: ok 10648
180: ok 10649
180: ok 10650
180: ok 10651
180: ok 10652
180: ok 10653
180: ok 10654
180: ok 10655
180: ok 10656
180: ok 10657
180: ok 10658
180: ok 10659
180: ok 10660
180: ok 10661
180: ok 10662
180: ok 10663
180: ok 10664
180: ok 10665
180: ok 10666
180: ok 10667
180: ok 10668
180: ok 10669
180: ok 10670
180: ok 10671
180: ok 10672
180: ok 10673
180: ok 10674
180: ok 10675
180: ok 10676
180: ok 10677
180: ok 10678
180: ok 10679
180: ok 10680
180: ok 10681
180: ok 10682
180: ok 10683
180: ok 10684
180: ok 10685
180: ok 10686
180: ok 10687
180: ok 10688
180: ok 10689
180: ok 10690
180: ok 10691
180: ok 10692
180: ok 10693
180: ok 10694
180: ok 10695
180: ok 10696
180: ok 10697
180: ok 10698
180: ok 10699
180: ok 10700
180: ok 10701
180: ok 10702
180: ok 10703
180: ok 10704
180: ok 10705
180: ok 10706
180: ok 10707
180: ok 10708
180: ok 10709
180: ok 10710
180: ok 10711
180: ok 10712
180: ok 10713
180: ok 10714
180: ok 10715
180: ok 10716
180: ok 10717
180: ok 10718
180: ok 10719
180: ok 10720
180: ok 10721
180: ok 10722
180: ok 10723
180: ok 10724
180: ok 10725
180: ok 10726
180: ok 10727
180: ok 10728
180: ok 10729
180: ok 10730
180: ok 10731
180: ok 10732
180: ok 10733
180: ok 10734
180: ok 10735
180: ok 10736
180: ok 10737
180: ok 10738
180: ok 10739
180: ok 10740
180: ok 10741
180: ok 10742
180: ok 10743
180: ok 10744
180: ok 10745
180: ok 10746
180: ok 10747
180: ok 10748
180: ok 10749
180: ok 10750
180: ok 10751
180: ok 10752
180: ok 10753
180: ok 10754
180: ok 10755
180: ok 10756
180: ok 10757
180: ok 10758
180: ok 10759
180: ok 10760
180: ok 10761
180: ok 10762
180: ok 10763
180: ok 10764
180: ok 10765
180: ok 10766
180: ok 10767
180: ok 10768
180: ok 10769
180: ok 10770
180: ok 10771
180: ok 10772
180: ok 10773
180: ok 10774
180: ok 10775
180: ok 10776
180: ok 10777
180: ok 10778
180: ok 10779
180: ok 10780
180: ok 10781
180: ok 10782
180: ok 10783
180: ok 10784
180: ok 10785
180: ok 10786
180: ok 10787
180: ok 10788
180: ok 10789
180: ok 10790
180: ok 10791
180: ok 10792
180: ok 10793
180: ok 10794
180: ok 10795
180: ok 10796
180: ok 10797
180: ok 10798
180: ok 10799
180: ok 10800
180: ok 10801
180: ok 10802
180: ok 10803
180: ok 10804
180: ok 10805
180: ok 10806
180: ok 10807
180: ok 10808
180: ok 10809
180: ok 10810
180: ok 10811
180: ok 10812
180: ok 10813
180: ok 10814
180: ok 10815
180: ok 10816
180: ok 10817
180: ok 10818
180: ok 10819
180: ok 10820
180: ok 10821
180: ok 10822
180: ok 10823
180: ok 10824
180: ok 10825
180: ok 10826
180: ok 10827
180: ok 10828
180: ok 10829
180: ok 10830
180: ok 10831
180: ok 10832
180: ok 10833
180: ok 10834
180: ok 10835
180: ok 10836
180: ok 10837
180: ok 10838
180: ok 10839
180: ok 10840
180: ok 10841
180: ok 10842
180: ok 10843
180: ok 10844
180: ok 10845
180: ok 10846
180: ok 10847
180: ok 10848
180: ok 10849
180: ok 10850
180: ok 10851
180: ok 10852
180: ok 10853
180: ok 10854
180: ok 10855
180: ok 10856
180: ok 10857
180: ok 10858
180: ok 10859
180: ok 10860
180: ok 10861
180: ok 10862
180: ok 10863
180: ok 10864
180: ok 10865
180: ok 10866
180: ok 10867
180: ok 10868
180: ok 10869
180: ok 10870
180: ok 10871
180: ok 10872
180: ok 10873
180: ok 10874
180: ok 10875
180: ok 10876
180: ok 10877
180: ok 10878
180: ok 10879
180: ok 10880
180: ok 10881
180: ok 10882
180: ok 10883
180: ok 10884
180: ok 10885
180: ok 10886
180: ok 10887
180: ok 10888
180: ok 10889
180: ok 10890
180: ok 10891
180: ok 10892
180: ok 10893
180: ok 10894
180: ok 10895
180: ok 10896
180: ok 10897
180: ok 10898
180: ok 10899
180: ok 10900
180: ok 10901
180: ok 10902
180: ok 10903
180: ok 10904
180: ok 10905
180: ok 10906
180: ok 10907
180: ok 10908
180: ok 10909
180: ok 10910
180: ok 10911
180: ok 10912
180: ok 10913
180: ok 10914
180: ok 10915
180: ok 10916
180: ok 10917
180: ok 10918
180: ok 10919
180: ok 10920
180: ok 10921
180: ok 10922
180: ok 10923
180: ok 10924
180: ok 10925
180: ok 10926
180: ok 10927
180: ok 10928
180: ok 10929
180: ok 10930
180: ok 10931
180: ok 10932
180: ok 10933
180: ok 10934
180: ok 10935
180: ok 10936
180: ok 10937
180: ok 10938
180: ok 10939
180: ok 10940
180: ok 10941
180: ok 10942
180: ok 10943
180: ok 10944
180: ok 10945
180: ok 10946
180: ok 10947
180: ok 10948
180: ok 10949
180: ok 10950
180: ok 10951
180: ok 10952
180: ok 10953
180: ok 10954
180: ok 10955
180: ok 10956
180: ok 10957
180: ok 10958
180: ok 10959
180: ok 10960
180: ok 10961
180: ok 10962
180: ok 10963
180: ok 10964
180: ok 10965
180: ok 10966
180: ok 10967
180: ok 10968
180: ok 10969
180: ok 10970
180: ok 10971
180: ok 10972
180: ok 10973
180: ok 10974
180: ok 10975
180: ok 10976
180: ok 10977
180: ok 10978
180: ok 10979
180: ok 10980
180: ok 10981
180: ok 10982
180: ok 10983
180: ok 10984
180: ok 10985
180: ok 10986
180: ok 10987
180: ok 10988
180: ok 10989
180: ok 10990
180: ok 10991
180: ok 10992
180: ok 10993
180: ok 10994
180: ok 10995
180: ok 10996
180: ok 10997
180: ok 10998
180: ok 10999
180: ok 11000
180: ok 11001
180: ok 11002
180: ok 11003
180: ok 11004
180: ok 11005
180: ok 11006
180: ok 11007
180: ok 11008
180: ok 11009
180: ok 11010
180: ok 11011
180: ok 11012
180: ok 11013
180: ok 11014
180: ok 11015
180: ok 11016
180: ok 11017
180: ok 11018
180: ok 11019
180: ok 11020
180: ok 11021
180: ok 11022
180: ok 11023
180: ok 11024
180: ok 11025
180: ok 11026
180: ok 11027
180: ok 11028
180: ok 11029
180: ok 11030
180: ok 11031
180: ok 11032
180: ok 11033
180: ok 11034
180: ok 11035
180: ok 11036
180: ok 11037
180: ok 11038
180: ok 11039
180: ok 11040
180: ok 11041
180: ok 11042
180: ok 11043
180: ok 11044
180: ok 11045
180: ok 11046
180: ok 11047
180: ok 11048
180: ok 11049
180: ok 11050
180: ok 11051
180: ok 11052
180: ok 11053
180: ok 11054
180: ok 11055
180: ok 11056
180: ok 11057
180: ok 11058
180: ok 11059
180: ok 11060
180: ok 11061
180: ok 11062
180: ok 11063
180: ok 11064
180: ok 11065
180: ok 11066
180: ok 11067
180: ok 11068
180: ok 11069
180: ok 11070
180: ok 11071
180: ok 11072
180: ok 11073
180: ok 11074
180: ok 11075
180: ok 11076
180: ok 11077
180: ok 11078
180: ok 11079
180: ok 11080
180: ok 11081
180: ok 11082
180: ok 11083
180: ok 11084
180: ok 11085
180: ok 11086
180: ok 11087
180: ok 11088
180: ok 11089
180: ok 11090
180: ok 11091
180: ok 11092
180: ok 11093
180: ok 11094
180: ok 11095
180: ok 11096
180: ok 11097
180: ok 11098
180: ok 11099
180: ok 11100
180: ok 11101
180: ok 11102
180: ok 11103
180: ok 11104
180: ok 11105
180: ok 11106
180: ok 11107
180: ok 11108
180: ok 11109
180: ok 11110
180: ok 11111
180: ok 11112
180: ok 11113
180: ok 11114
180: ok 11115
180: ok 11116
180: ok 11117
180: ok 11118
180: ok 11119
180: ok 11120
180: ok 11121
180: ok 11122
180: ok 11123
180: ok 11124
180: ok 11125
180: ok 11126
180: ok 11127
180: ok 11128
180: ok 11129
180: ok 11130
180: ok 11131
180: ok 11132
180: ok 11133
180: ok 11134
180: ok 11135
180: ok 11136
180: ok 11137
180: ok 11138
180: ok 11139
180: ok 11140
180: ok 11141
180: ok 11142
180: ok 11143
180: ok 11144
180: ok 11145
180: ok 11146
180: ok 11147
180: ok 11148
180: ok 11149
180: ok 11150
180: ok 11151
180: ok 11152
180: ok 11153
180: ok 11154
180: ok 11155
180: ok 11156
180: ok 11157
180: ok 11158
180: ok 11159
180: ok 11160
180: ok 11161
180: ok 11162
180: ok 11163
180: ok 11164
180: ok 11165
180: ok 11166
180: ok 11167
180: ok 11168
180: ok 11169
180: ok 11170
180: ok 11171
180: ok 11172
180: ok 11173
180: ok 11174
180: ok 11175
180: ok 11176
180: ok 11177
180: ok 11178
180: ok 11179
180: ok 11180
180: ok 11181
180: ok 11182
180: ok 11183
180: ok 11184
180: ok 11185
180: ok 11186
180: ok 11187
180: ok 11188
180: ok 11189
180: ok 11190
180: ok 11191
180: ok 11192
180: ok 11193
180: ok 11194
180: ok 11195
180: ok 11196
180: ok 11197
180: ok 11198
180: ok 11199
180: ok 11200
180: ok 11201
180: ok 11202
180: ok 11203
180: ok 11204
180: ok 11205
180: ok 11206
180: ok 11207
180: ok 11208
180: ok 11209
180: ok 11210
180: ok 11211
180: ok 11212
180: ok 11213
180: ok 11214
180: ok 11215
180: ok 11216
180: ok 11217
180: ok 11218
180: ok 11219
180: ok 11220
180: ok 11221
180: ok 11222
180: ok 11223
180: ok 11224
180: ok 11225
180: ok 11226
180: ok 11227
180: ok 11228
180: ok 11229
180: ok 11230
180: ok 11231
180: ok 11232
180: ok 11233
180: ok 11234
180: ok 11235
180: ok 11236
180: ok 11237
180: ok 11238
180: ok 11239
180: ok 11240
180: ok 11241
180: ok 11242
180: ok 11243
180: ok 11244
180: ok 11245
180: ok 11246
180: ok 11247
180: ok 11248
180: ok 11249
180: ok 11250
180: ok 11251
180: ok 11252
180: ok 11253
180: ok 11254
180: ok 11255
180: ok 11256
180: ok 11257
180: ok 11258
180: ok 11259
180: ok 11260
180: ok 11261
180: ok 11262
180: ok 11263
180: ok 11264
180: ok 11265
180: ok 11266
180: ok 11267
180: ok 11268
180: ok 11269
180: ok 11270
180: ok 11271
180: ok 11272
180: ok 11273
180: ok 11274
180: ok 11275
180: ok 11276
180: ok 11277
180: ok 11278
180: ok 11279
180: ok 11280
180: ok 11281
180: ok 11282
180: ok 11283
180: ok 11284
180: ok 11285
180: ok 11286
180: ok 11287
180: ok 11288
180: ok 11289
180: ok 11290
180: ok 11291
180: ok 11292
180: ok 11293
180: ok 11294
180: ok 11295
180: ok 11296
180: ok 11297
180: ok 11298
180: ok 11299
180: ok 11300
180: ok 11301
180: ok 11302
180: ok 11303
180: ok 11304
180: ok 11305
180: ok 11306
180: ok 11307
180: ok 11308
180: ok 11309
180: ok 11310
180: ok 11311
180: ok 11312
180: ok 11313
180: ok 11314
180: ok 11315
180: ok 11316
180: ok 11317
180: ok 11318
180: ok 11319
180: ok 11320
180: ok 11321
180: ok 11322
180: ok 11323
180: ok 11324
180: ok 11325
180: ok 11326
180: ok 11327
180: ok 11328
180: ok 11329
180: ok 11330
180: ok 11331
180: ok 11332
180: ok 11333
180: ok 11334
180: ok 11335
180: ok 11336
180: ok 11337
180: ok 11338
180: ok 11339
180: ok 11340
180: ok 11341
180: ok 11342
180: ok 11343
180: ok 11344
180: ok 11345
180: ok 11346
180: ok 11347
180: ok 11348
180: ok 11349
180: ok 11350
180: ok 11351
180: ok 11352
180: ok 11353
180: ok 11354
180: ok 11355
180: ok 11356
180: ok 11357
180: ok 11358
180: ok 11359
180: ok 11360
180: ok 11361
180: ok 11362
180: ok 11363
180: ok 11364
180: ok 11365
180: ok 11366
180: ok 11367
180: ok 11368
180: ok 11369
180: ok 11370
180: ok 11371
180: ok 11372
180: ok 11373
180: ok 11374
180: ok 11375
180: ok 11376
180: ok 11377
180: ok 11378
180: ok 11379
180: ok 11380
180: ok 11381
180: ok 11382
180: ok 11383
180: ok 11384
180: ok 11385
180: ok 11386
180: ok 11387
180: ok 11388
180: ok 11389
180: ok 11390
180: ok 11391
180: ok 11392
180: ok 11393
180: ok 11394
180: ok 11395
180: ok 11396
180: ok 11397
180: ok 11398
180: ok 11399
180: ok 11400
180: ok 11401
180: ok 11402
180: ok 11403
180: ok 11404
180: ok 11405
180: ok 11406
180: ok 11407
180: ok 11408
180: ok 11409
180: ok 11410
180: ok 11411
180: ok 11412
180: ok 11413
180: ok 11414
180: ok 11415
180: ok 11416
180: ok 11417
180: ok 11418
180: ok 11419
180: ok 11420
180: ok 11421
180: ok 11422
180: ok 11423
180: ok 11424
180: ok 11425
180: ok 11426
180: ok 11427
180: ok 11428
180: ok 11429
180: ok 11430
180: ok 11431
180: ok 11432
180: ok 11433
180: ok 11434
180: ok 11435
180: ok 11436
180: ok 11437
180: ok 11438
180: ok 11439
180: ok 11440
180: ok 11441
180: ok 11442
180: ok 11443
180: ok 11444
180: ok 11445
180: ok 11446
180: ok 11447
180: ok 11448
180: ok 11449
180: ok 11450
180: ok 11451
180: ok 11452
180: ok 11453
180: ok 11454
180: ok 11455
180: ok 11456
180: ok 11457
180: ok 11458
180: ok 11459
180: ok 11460
180: ok 11461
180: ok 11462
180: ok 11463
180: ok 11464
180: ok 11465
180: ok 11466
180: ok 11467
180: ok 11468
180: ok 11469
180: ok 11470
180: ok 11471
180: ok 11472
180: ok 11473
180: ok 11474
180: ok 11475
180: ok 11476
180: ok 11477
180: ok 11478
180: ok 11479
180: ok 11480
180: ok 11481
180: ok 11482
180: ok 11483
180: ok 11484
180: ok 11485
180: ok 11486
180: ok 11487
180: ok 11488
180: ok 11489
180: ok 11490
180: ok 11491
180: ok 11492
180: ok 11493
180: ok 11494
180: ok 11495
180: ok 11496
180: ok 11497
180: ok 11498
180: ok 11499
180: ok 11500
180: ok 11501
180: ok 11502
180: ok 11503
180: ok 11504
180: ok 11505
180: ok 11506
180: ok 11507
180: ok 11508
180: ok 11509
180: ok 11510
180: ok 11511
180: ok 11512
180: ok 11513
180: ok 11514
180: ok 11515
180: ok 11516
180: ok 11517
180: ok 11518
180: ok 11519
180: ok 11520
180: ok 11521
180: ok 11522
180: ok 11523
180: ok 11524
180: ok 11525
180: ok 11526
180: ok 11527
180: ok 11528
180: ok 11529
180: ok 11530
180: ok 11531
180: ok 11532
180: ok 11533
180: ok 11534
180: ok 11535
180: ok 11536
180: ok 11537
180: ok 11538
180: ok 11539
180: ok 11540
180: ok 11541
180: ok 11542
180: ok 11543
180: ok 11544
180: ok 11545
180: ok 11546
180: ok 11547
180: ok 11548
180: ok 11549
180: ok 11550
180: ok 11551
180: ok 11552
180: ok 11553
180: ok 11554
180: ok 11555
180: ok 11556
180: ok 11557
180: ok 11558
180: ok 11559
180: ok 11560
180: ok 11561
180: ok 11562
180: ok 11563
180: ok 11564
180: ok 11565
180: ok 11566
180: ok 11567
180: ok 11568
180: ok 11569
180: ok 11570
180: ok 11571
180: ok 11572
180: ok 11573
180: ok 11574
180: ok 11575
180: ok 11576
180: ok 11577
180: ok 11578
180: ok 11579
180: ok 11580
180: ok 11581
180: ok 11582
180: ok 11583
180: ok 11584
180: ok 11585
180: ok 11586
180: ok 11587
180: ok 11588
180: ok 11589
180: ok 11590
180: ok 11591
180: ok 11592
180: ok 11593
180: ok 11594
180: ok 11595
180: ok 11596
180: ok 11597
180: ok 11598
180: ok 11599
180: ok 11600
180: ok 11601
180: ok 11602
180: ok 11603
180: ok 11604
180: ok 11605
180: ok 11606
180: ok 11607
180: ok 11608
180: ok 11609
180: ok 11610
180: ok 11611
180: ok 11612
180: ok 11613
180: ok 11614
180: ok 11615
180: ok 11616
180: ok 11617
180: ok 11618
180: ok 11619
180: ok 11620
180: ok 11621
180: ok 11622
180: ok 11623
180: ok 11624
180: ok 11625
180: ok 11626
180: ok 11627
180: ok 11628
180: ok 11629
180: ok 11630
180: ok 11631
180: ok 11632
180: ok 11633
180: ok 11634
180: ok 11635
180: ok 11636
180: ok 11637
180: ok 11638
180: ok 11639
180: ok 11640
180: ok 11641
180: ok 11642
180: ok 11643
180: ok 11644
180: ok 11645
180: ok 11646
180: ok 11647
180: ok 11648
180: ok 11649
180: ok 11650
180: ok 11651
180: ok 11652
180: ok 11653
180: ok 11654
180: ok 11655
180: ok 11656
180: ok 11657
180: ok 11658
180: ok 11659
180: ok 11660
180: ok 11661
180: ok 11662
180: ok 11663
180: ok 11664
180: ok 11665
180: ok 11666
180: ok 11667
180: ok 11668
180: ok 11669
180: ok 11670
180: ok 11671
180: ok 11672
180: ok 11673
180: ok 11674
180: ok 11675
180: ok 11676
180: ok 11677
180: ok 11678
180: ok 11679
180: ok 11680
180: ok 11681
180: ok 11682
180: ok 11683
180: ok 11684
180: ok 11685
180: ok 11686
180: ok 11687
180: ok 11688
180: ok 11689
180: ok 11690
180: ok 11691
180: ok 11692
180: ok 11693
180: ok 11694
180: ok 11695
180: ok 11696
180: ok 11697
180: ok 11698
180: ok 11699
180: ok 11700
180: ok 11701
180: ok 11702
180: ok 11703
180: ok 11704
180: ok 11705
180: ok 11706
180: ok 11707
180: ok 11708
180: ok 11709
180: ok 11710
180: ok 11711
180: ok 11712
180: ok 11713
180: ok 11714
180: ok 11715
180: ok 11716
180: ok 11717
180: ok 11718
180: ok 11719
180: ok 11720
180: ok 11721
180: ok 11722
180: ok 11723
180: ok 11724
180: ok 11725
180: ok 11726
180: ok 11727
180: ok 11728
180: ok 11729
180: ok 11730
180: ok 11731
180: ok 11732
180: ok 11733
180: ok 11734
180: ok 11735
180: ok 11736
180: ok 11737
180: ok 11738
180: ok 11739
180: ok 11740
180: ok 11741
180: ok 11742
180: ok 11743
180: ok 11744
180: ok 11745
180: ok 11746
180: ok 11747
180: ok 11748
180: ok 11749
180: ok 11750
180: ok 11751
180: ok 11752
180: ok 11753
180: ok 11754
180: ok 11755
180: ok 11756
180: ok 11757
180: ok 11758
180: ok 11759
180: ok 11760
180: ok 11761
180: ok 11762
180: ok 11763
180: ok 11764
180: ok 11765
180: ok 11766
180: ok 11767
180: ok 11768
180: ok 11769
180: ok 11770
180: ok 11771
180: ok 11772
180: ok 11773
180: ok 11774
180: ok 11775
180: ok 11776
180: ok 11777
180: ok 11778
180: ok 11779
180: ok 11780
180: ok 11781
180: ok 11782
180: ok 11783
180: ok 11784
180: ok 11785
180: ok 11786
180: ok 11787
180: ok 11788
180: ok 11789
180: ok 11790
180: ok 11791
180: ok 11792
180: ok 11793
180: ok 11794
180: ok 11795
180: ok 11796
180: ok 11797
180: ok 11798
180: ok 11799
180: ok 11800
180: ok 11801
180: ok 11802
180: ok 11803
180: ok 11804
180: ok 11805
180: ok 11806
180: ok 11807
180: ok 11808
180: ok 11809
180: ok 11810
180: ok 11811
180: ok 11812
180: ok 11813
180: ok 11814
180: ok 11815
180: ok 11816
180: ok 11817
180: ok 11818
180: ok 11819
180: ok 11820
180: ok 11821
180: ok 11822
180: ok 11823
180: ok 11824
180: ok 11825
180: ok 11826
180: ok 11827
180: ok 11828
180: ok 11829
180: ok 11830
180: ok 11831
180: ok 11832
180: ok 11833
180: ok 11834
180: ok 11835
180: ok 11836
180: ok 11837
180: ok 11838
180: ok 11839
180: ok 11840
180: ok 11841
180: ok 11842
180: ok 11843
180: ok 11844
180: ok 11845
180: ok 11846
180: ok 11847
180: ok 11848
180: ok 11849
180: ok 11850
180: ok 11851
180: ok 11852
180: ok 11853
180: ok 11854
180: ok 11855
180: ok 11856
180: ok 11857
180: ok 11858
180: ok 11859
180: ok 11860
180: ok 11861
180: ok 11862
180: ok 11863
180: ok 11864
180: ok 11865
180: ok 11866
180: ok 11867
180: ok 11868
180: ok 11869
180: ok 11870
180: ok 11871
180: ok 11872
180: ok 11873
180: ok 11874
180: ok 11875
180: ok 11876
180: ok 11877
180: ok 11878
180: ok 11879
180: ok 11880
180: ok 11881
180: ok 11882
180: ok 11883
180: ok 11884
180: ok 11885
180: ok 11886
180: ok 11887
180: ok 11888
180: ok 11889
180: ok 11890
180: ok 11891
180: ok 11892
180: ok 11893
180: ok 11894
180: ok 11895
180: ok 11896
180: ok 11897
180: ok 11898
180: ok 11899
180: ok 11900
180: ok 11901
180: ok 11902
180: ok 11903
180: ok 11904
180: ok 11905
180: ok 11906
180: ok 11907
180: ok 11908
180: ok 11909
180: ok 11910
180: ok 11911
180: ok 11912
180: ok 11913
180: ok 11914
180: ok 11915
180: ok 11916
180: ok 11917
180: ok 11918
180: ok 11919
180: ok 11920
180: ok 11921
180: ok 11922
180: ok 11923
180: ok 11924
180: ok 11925
180: ok 11926
180: ok 11927
180: ok 11928
180: ok 11929
180: ok 11930
180: ok 11931
180: ok 11932
180: ok 11933
180: ok 11934
180: ok 11935
180: ok 11936
180: ok 11937
180: ok 11938
180: ok 11939
180: ok 11940
180: ok 11941
180: ok 11942
180: ok 11943
180: ok 11944
180: ok 11945
180: ok 11946
180: ok 11947
180: ok 11948
180: ok 11949
180: ok 11950
180: ok 11951
180: ok 11952
180: ok 11953
180: ok 11954
180: ok 11955
180: ok 11956
180: ok 11957
180: ok 11958
180: ok 11959
180: ok 11960
180: ok 11961
180: ok 11962
180: ok 11963
180: ok 11964
180: ok 11965
180: ok 11966
180: ok 11967
180: ok 11968
180: ok 11969
180: ok 11970
180: ok 11971
180: ok 11972
180: ok 11973
180: ok 11974
180: ok 11975
180: ok 11976
180: ok 11977
180: ok 11978
180: ok 11979
180: ok 11980
180: ok 11981
180: ok 11982
180: ok 11983
180: ok 11984
180: ok 11985
180: ok 11986
180: ok 11987
180: ok 11988
180: ok 11989
180: ok 11990
180: ok 11991
180: ok 11992
180: ok 11993
180: ok 11994
180: ok 11995
180: ok 11996
180: ok 11997
180: ok 11998
180: ok 11999
180: ok 12000
180: ok 12001
180: ok 12002
180: ok 12003
180: ok 12004
180: ok 12005
180: ok 12006
180: ok 12007
180: ok 12008
180: ok 12009
180: ok 12010
180: ok 12011
180: ok 12012
180: ok 12013
180: ok 12014
180: ok 12015
180: ok 12016
180: ok 12017
180: ok 12018
180: ok 12019
180: ok 12020
180: ok 12021
180: ok 12022
180: ok 12023
180: ok 12024
180: ok 12025
180: ok 12026
180: ok 12027
180: ok 12028
180: ok 12029
180: ok 12030
180: ok 12031
180: ok 12032
180: ok 12033
180: ok 12034
180: ok 12035
180: ok 12036
180: ok 12037
180: ok 12038
180: ok 12039
180: ok 12040
180: ok 12041
180: ok 12042
180: ok 12043
180: ok 12044
180: ok 12045
180: ok 12046
180: ok 12047
180: ok 12048
180: ok 12049
180: ok 12050
180: ok 12051
180: ok 12052
180: ok 12053
180: ok 12054
180: ok 12055
180: ok 12056
180: ok 12057
180: ok 12058
180: ok 12059
180: ok 12060
180: ok 12061
180: ok 12062
180: ok 12063
180: ok 12064
180: ok 12065
180: ok 12066
180: ok 12067
180: ok 12068
180: ok 12069
180: ok 12070
180: ok 12071
180: ok 12072
180: ok 12073
180: ok 12074
180: ok 12075
180: ok 12076
180: ok 12077
180: ok 12078
180: ok 12079
180: ok 12080
180: ok 12081
180: ok 12082
180: ok 12083
180: ok 12084
180: ok 12085
180: ok 12086
180: ok 12087
180: ok 12088
180: ok 12089
180: ok 12090
180: ok 12091
180: ok 12092
180: ok 12093
180: ok 12094
180: ok 12095
180: ok 12096
180: ok 12097
180: ok 12098
180: ok 12099
180: ok 12100
180: ok 12101
180: ok 12102
180: ok 12103
180: ok 12104
180: ok 12105
180: ok 12106
180: ok 12107
180: ok 12108
180: ok 12109
180: ok 12110
180: ok 12111
180: ok 12112
180: ok 12113
180: ok 12114
180: ok 12115
180: ok 12116
180: ok 12117
180: ok 12118
180: ok 12119
180: ok 12120
180: ok 12121
180: ok 12122
180: ok 12123
180: ok 12124
180: ok 12125
180: ok 12126
180: ok 12127
180: ok 12128
180: ok 12129
180: ok 12130
180: ok 12131
180: ok 12132
180: ok 12133
180: ok 12134
180: ok 12135
180: ok 12136
180: ok 12137
180: ok 12138
180: ok 12139
180: ok 12140
180: ok 12141
180: ok 12142
180: ok 12143
180: ok 12144
180: ok 12145
180: ok 12146
180: ok 12147
180: ok 12148
180: ok 12149
180: ok 12150
180: ok 12151
180: ok 12152
180: ok 12153
180: ok 12154
180: ok 12155
180: ok 12156
180: ok 12157
180: ok 12158
180: ok 12159
180: ok 12160
180: ok 12161
180: ok 12162
180: ok 12163
180: ok 12164
180: ok 12165
180: ok 12166
180: ok 12167
180: ok 12168
180: ok 12169
180: ok 12170
180: ok 12171
180: ok 12172
180: ok 12173
180: ok 12174
180: ok 12175
180: ok 12176
180: ok 12177
180: ok 12178
180: ok 12179
180: ok 12180
180: ok 12181
180: ok 12182
180: ok 12183
180: ok 12184
180: ok 12185
180: ok 12186
180: ok 12187
180: ok 12188
180: ok 12189
180: ok 12190
180: ok 12191
180: ok 12192
180: ok 12193
180: ok 12194
180: ok 12195
180: ok 12196
180: ok 12197
180: ok 12198
180: ok 12199
180: ok 12200
180: ok 12201
180: ok 12202
180: ok 12203
180: ok 12204
180: ok 12205
180: ok 12206
180: ok 12207
180: ok 12208
180: ok 12209
180: ok 12210
180: ok 12211
180: ok 12212
180: ok 12213
180: ok 12214
180: ok 12215
180: ok 12216
180: ok 12217
180: ok 12218
180: ok 12219
180: ok 12220
180: ok 12221
180: ok 12222
180: ok 12223
180: ok 12224
180: ok 12225
180: ok 12226
180: ok 12227
180: ok 12228
180: ok 12229
180: ok 12230
180: ok 12231
180: ok 12232
180: ok 12233
180: ok 12234
180: ok 12235
180: ok 12236
180: ok 12237
180: ok 12238
180: ok 12239
180: ok 12240
180: ok 12241
180: ok 12242
180: ok 12243
180: ok 12244
180: ok 12245
180: ok 12246
180: ok 12247
180: ok 12248
180: ok 12249
180: ok 12250
180: ok 12251
180: ok 12252
180: ok 12253
180: ok 12254
180: ok 12255
180: ok 12256
180: ok 12257
180: ok 12258
180: ok 12259
180: ok 12260
180: ok 12261
180: ok 12262
180: ok 12263
180: ok 12264
180: ok 12265
180: ok 12266
180: ok 12267
180: ok 12268
180: ok 12269
180: ok 12270
180: ok 12271
180: ok 12272
180: ok 12273
180: ok 12274
180: ok 12275
180: ok 12276
180: ok 12277
180: ok 12278
180: ok 12279
180: ok 12280
180: ok 12281
180: ok 12282
180: ok 12283
180: ok 12284
180: ok 12285
180: ok 12286
180: ok 12287
180: ok 12288
180: ok 12289
180: ok 12290
180: ok 12291
180: ok 12292
180: ok 12293
180: ok 12294
180: ok 12295
180: ok 12296
180: ok 12297
180: ok 12298
180: ok 12299
180: ok 12300
180: ok 12301
180: ok 12302
180: ok 12303
180: ok 12304
180: ok 12305
180: ok 12306
180: ok 12307
180: ok 12308
180: ok 12309
180: ok 12310
180: ok 12311
180: ok 12312
180: ok 12313
180: ok 12314
180: ok 12315
180: ok 12316
180: ok 12317
180: ok 12318
180: ok 12319
180: ok 12320
180: ok 12321
180: ok 12322
180: ok 12323
180: ok 12324
180: ok 12325
180: ok 12326
180: ok 12327
180: ok 12328
180: ok 12329
180: ok 12330
180: ok 12331
180: ok 12332
180: ok 12333
180: ok 12334
180: ok 12335
180: ok 12336
180: ok 12337
180: ok 12338
180: ok 12339
180: ok 12340
180: ok 12341
180: ok 12342
180: ok 12343
180: ok 12344
180: ok 12345
180: ok 12346
180: ok 12347
180: ok 12348
180: ok 12349
180: ok 12350
180: ok 12351
180: ok 12352
180: ok 12353
180: ok 12354
180: ok 12355
180: ok 12356
180: ok 12357
180: ok 12358
180: ok 12359
180: ok 12360
180: ok 12361
180: ok 12362
180: ok 12363
180: ok 12364
180: ok 12365
180: ok 12366
180: ok 12367
180: ok 12368
180: ok 12369
180: ok 12370
180: ok 12371
180: ok 12372
180: ok 12373
180: ok 12374
180: ok 12375
180: ok 12376
180: ok 12377
180: ok 12378
180: ok 12379
180: ok 12380
180: ok 12381
180: ok 12382
180: ok 12383
180: ok 12384
180: ok 12385
180: ok 12386
180: ok 12387
180: ok 12388
180: ok 12389
180: ok 12390
180: ok 12391
180: ok 12392
180: ok 12393
180: ok 12394
180: ok 12395
180: ok 12396
180: ok 12397
180: ok 12398
180: ok 12399
180: ok 12400
180: ok 12401
180: ok 12402
180: ok 12403
180: ok 12404
180: ok 12405
180: ok 12406
180: ok 12407
180: ok 12408
180: ok 12409
180: ok 12410
180: ok 12411
180: ok 12412
180: ok 12413
180: ok 12414
180: ok 12415
180: ok 12416
180: ok 12417
180: ok 12418
180: ok 12419
180: ok 12420
180: ok 12421
180: ok 12422
180: ok 12423
180: ok 12424
180: ok 12425
180: ok 12426
180: ok 12427
180: ok 12428
180: ok 12429
180: ok 12430
180: ok 12431
180: ok 12432
180: ok 12433
180: ok 12434
180: ok 12435
180: ok 12436
180: ok 12437
180: ok 12438
180: ok 12439
180: ok 12440
180: ok 12441
180: ok 12442
180: ok 12443
180: ok 12444
180: ok 12445
180: ok 12446
180: ok 12447
180: ok 12448
180: ok 12449
180: ok 12450
180: ok 12451
180: ok 12452
180: ok 12453
180: ok 12454
180: ok 12455
180: ok 12456
180: ok 12457
180: ok 12458
180: ok 12459
180: ok 12460
180: ok 12461
180: ok 12462
180: ok 12463
180: ok 12464
180: ok 12465
180: ok 12466
180: ok 12467
180: ok 12468
180: ok 12469
180: ok 12470
180: ok 12471
180: ok 12472
180: ok 12473
180: ok 12474
180: ok 12475
180: ok 12476
180: ok 12477
180: ok 12478
180: ok 12479
180: ok 12480
180: ok 12481
180: ok 12482
180: ok 12483
180: ok 12484
180: ok 12485
180: ok 12486
180: ok 12487
180: ok 12488
180: ok 12489
180: ok 12490
180: ok 12491
180: ok 12492
180: ok 12493
180: ok 12494
180: ok 12495
180: ok 12496
180: ok 12497
180: ok 12498
180: ok 12499
180: ok 12500
180: ok 12501
180: ok 12502
180: ok 12503
180: ok 12504
180: ok 12505
180: ok 12506
180: ok 12507
180: ok 12508
180: ok 12509
180: ok 12510
180: ok 12511
180: ok 12512
180: ok 12513
180: ok 12514
180: ok 12515
180: ok 12516
180: ok 12517
180: ok 12518
180: ok 12519
180: ok 12520
180: ok 12521
180: ok 12522
180: ok 12523
180: ok 12524
180: ok 12525
180: ok 12526
180: ok 12527
180: ok 12528
180: ok 12529
180: ok 12530
180: ok 12531
180: ok 12532
180: ok 12533
180: ok 12534
180: ok 12535
180: ok 12536
180: ok 12537
180: ok 12538
180: ok 12539
180: ok 12540
180: ok 12541
180: ok 12542
180: ok 12543
180: ok 12544
180: ok 12545
180: ok 12546
180: ok 12547
180: ok 12548
180: ok 12549
180: ok 12550
180: ok 12551
180: ok 12552
180: ok 12553
180: ok 12554
180: ok 12555
180: ok 12556
180: ok 12557
180: ok 12558
180: ok 12559
180: ok 12560
180: ok 12561
180: ok 12562
180: ok 12563
180: ok 12564
180: ok 12565
180: ok 12566
180: ok 12567
180: ok 12568
180: ok 12569
180: ok 12570
180: ok 12571
180: ok 12572
180: ok 12573
180: ok 12574
180: ok 12575
180: ok 12576
180: ok 12577
180: ok 12578
180: ok 12579
180: ok 12580
180: ok 12581
180: ok 12582
180: ok 12583
180: ok 12584
180: ok 12585
180: ok 12586
180: ok 12587
180: ok 12588
180: ok 12589
180: ok 12590
180: ok 12591
180: ok 12592
180: ok 12593
180: ok 12594
180: ok 12595
180: ok 12596
180: ok 12597
180: ok 12598
180: ok 12599
180: ok 12600
180: ok 12601
180: ok 12602
180: ok 12603
180: ok 12604
180: ok 12605
180: ok 12606
180: ok 12607
180: ok 12608
180: ok 12609
180: ok 12610
180: ok 12611
180: ok 12612
180: ok 12613
180: ok 12614
180: ok 12615
180: ok 12616
180: ok 12617
180: ok 12618
180: ok 12619
180: ok 12620
180: ok 12621
180: ok 12622
180: ok 12623
180: ok 12624
180: ok 12625
180: ok 12626
180: ok 12627
180: ok 12628
180: ok 12629
180: ok 12630
180: ok 12631
180: ok 12632
180: ok 12633
180: ok 12634
180: ok 12635
180: ok 12636
180: ok 12637
180: ok 12638
180: ok 12639
180: ok 12640
180: ok 12641
180: ok 12642
180: ok 12643
180: ok 12644
180: ok 12645
180: ok 12646
180: ok 12647
180: ok 12648
180: ok 12649
180: ok 12650
180: ok 12651
180: ok 12652
180: ok 12653
180: ok 12654
180: ok 12655
180: ok 12656
180: ok 12657
180: ok 12658
180: ok 12659
180: ok 12660
180: ok 12661
180: ok 12662
180: ok 12663
180: ok 12664
180: ok 12665
180: ok 12666
180: ok 12667
180: ok 12668
180: ok 12669
180: ok 12670
180: ok 12671
180: ok 12672
180: ok 12673
180: ok 12674
180: ok 12675
180: ok 12676
180: ok 12677
180: ok 12678
180: ok 12679
180: ok 12680
180: ok 12681
180: ok 12682
180: ok 12683
180: ok 12684
180: ok 12685
180: ok 12686
180: ok 12687
180: ok 12688
180: ok 12689
180: ok 12690
180: ok 12691
180: ok 12692
180: ok 12693
180: ok 12694
180: ok 12695
180: ok 12696
180: ok 12697
180: ok 12698
180: ok 12699
180: ok 12700
180: ok 12701
180: ok 12702
180: ok 12703
180: ok 12704
180: ok 12705
180: ok 12706
180: ok 12707
180: ok 12708
180: ok 12709
180: ok 12710
180: ok 12711
180: ok 12712
180: ok 12713
180: ok 12714
180: ok 12715
180: ok 12716
180: ok 12717
180: ok 12718
180: ok 12719
180: ok 12720
180: ok 12721
180: ok 12722
180: ok 12723
180: ok 12724
180: ok 12725
180: ok 12726
180: ok 12727
180: ok 12728
180: ok 12729
180: ok 12730
180: ok 12731
180: ok 12732
180: ok 12733
180: ok 12734
180: ok 12735
180: ok 12736
180: ok 12737
180: ok 12738
180: ok 12739
180: ok 12740
180: ok 12741
180: ok 12742
180: ok 12743
180: ok 12744
180: ok 12745
180: ok 12746
180: ok 12747
180: ok 12748
180: ok 12749
180: ok 12750
180: ok 12751
180: ok 12752
180: ok 12753
180: ok 12754
180: ok 12755
180: ok 12756
180: ok 12757
180: ok 12758
180: ok 12759
180: ok 12760
180: ok 12761
180: ok 12762
180: ok 12763
180: ok 12764
180: ok 12765
180: ok 12766
180: ok 12767
180: ok 12768
180: ok 12769
180: ok 12770
180: ok 12771
180: ok 12772
180: ok 12773
180: ok 12774
180: ok 12775
180: ok 12776
180: ok 12777
180: ok 12778
180: ok 12779
180: ok 12780
180: ok 12781
180: ok 12782
180: ok 12783
180: ok 12784
180: ok 12785
180: ok 12786
180: ok 12787
180: ok 12788
180: ok 12789
180: ok 12790
180: ok 12791
180: ok 12792
180: ok 12793
180: ok 12794
180: ok 12795
180: ok 12796
180: ok 12797
180: ok 12798
180: ok 12799
180: ok 12800
180: ok 12801
180: ok 12802
180: ok 12803
180: ok 12804
180: ok 12805
180: ok 12806
180: ok 12807
180: ok 12808
180: ok 12809
180: ok 12810
180: ok 12811
180: ok 12812
180: ok 12813
180: ok 12814
180: ok 12815
180: ok 12816
180: ok 12817
180: ok 12818
180: ok 12819
180: ok 12820
180: ok 12821
180: ok 12822
180: ok 12823
180: ok 12824
180: ok 12825
180: ok 12826
180: ok 12827
180: ok 12828
180: ok 12829
180: ok 12830
180: ok 12831
180: ok 12832
180: ok 12833
180: ok 12834
180: ok 12835
180: ok 12836
180: ok 12837
180: ok 12838
180: ok 12839
180: ok 12840
180: ok 12841
180: ok 12842
180: ok 12843
180: ok 12844
180: ok 12845
180: ok 12846
180: ok 12847
180: ok 12848
180: ok 12849
180: ok 12850
180: ok 12851
180: ok 12852
180: ok 12853
180: ok 12854
180: ok 12855
180: ok 12856
180: ok 12857
180: ok 12858
180: ok 12859
180: ok 12860
180: ok 12861
180: ok 12862
180: ok 12863
180: ok 12864
180: ok 12865
180: ok 12866
180: ok 12867
180: ok 12868
180: ok 12869
180: ok 12870
180: ok 12871
180: ok 12872
180: ok 12873
180: ok 12874
180: ok 12875
180: ok 12876
180: ok 12877
180: ok 12878
180: ok 12879
180: ok 12880
180: ok 12881
180: ok 12882
180: ok 12883
180: ok 12884
180: ok 12885
180: ok 12886
180: ok 12887
180: ok 12888
180: ok 12889
180: ok 12890
180: ok 12891
180: ok 12892
180: ok 12893
180: ok 12894
180: ok 12895
180: ok 12896
180: ok 12897
180: ok 12898
180: ok 12899
180: ok 12900
180: ok 12901
180: ok 12902
180: ok 12903
180: ok 12904
180: ok 12905
180: ok 12906
180: ok 12907
180: ok 12908
180: ok 12909
180: ok 12910
180: ok 12911
180: ok 12912
180: ok 12913
180: ok 12914
180: ok 12915
180: ok 12916
180: ok 12917
180: ok 12918
180: ok 12919
180: ok 12920
180: ok 12921
180: ok 12922
180: ok 12923
180: ok 12924
180: ok 12925
180: ok 12926
180: ok 12927
180: ok 12928
180: ok 12929
180: ok 12930
180: ok 12931
180: ok 12932
180: ok 12933
180: ok 12934
180: ok 12935
180: ok 12936
180: ok 12937
180: ok 12938
180: ok 12939
180: ok 12940
180: ok 12941
180: ok 12942
180: ok 12943
180: ok 12944
180: ok 12945
180: ok 12946
180: ok 12947
180: ok 12948
180: ok 12949
180: ok 12950
180: ok 12951
180: ok 12952
180: ok 12953
180: ok 12954
180: ok 12955
180: ok 12956
180: ok 12957
180: ok 12958
180: ok 12959
180: ok 12960
180: ok 12961
180: ok 12962
180: ok 12963
180: ok 12964
180: ok 12965
180: ok 12966
180: ok 12967
180: ok 12968
180: ok 12969
180: ok 12970
180: ok 12971
180: ok 12972
180: ok 12973
180: ok 12974
180: ok 12975
180: ok 12976
180: ok 12977
180: ok 12978
180: ok 12979
180: ok 12980
180: ok 12981
180: ok 12982
180: ok 12983
180: ok 12984
180: ok 12985
180: ok 12986
180: ok 12987
180: ok 12988
180: ok 12989
180: ok 12990
180: ok 12991
180: ok 12992
180: ok 12993
180: ok 12994
180: ok 12995
180: ok 12996
180: ok 12997
180: ok 12998
180: ok 12999
180: ok 13000
180: ok 13001
180: ok 13002
180: ok 13003
180: ok 13004
180: ok 13005
180: ok 13006
180: ok 13007
180: ok 13008
180: ok 13009
180: ok 13010
180: ok 13011
180: ok 13012
180: ok 13013
180: ok 13014
180: ok 13015
180: ok 13016
180: ok 13017
180: ok 13018
180: ok 13019
180: ok 13020
180: ok 13021
180: ok 13022
180: ok 13023
180: ok 13024
180: ok 13025
180: ok 13026
180: ok 13027
180: ok 13028
180: ok 13029
180: ok 13030
180: ok 13031
180: ok 13032
180: ok 13033
180: ok 13034
180: ok 13035
180: ok 13036
180: ok 13037
180: ok 13038
180: ok 13039
180: ok 13040
180: ok 13041
180: ok 13042
180: ok 13043
180: ok 13044
180: ok 13045
180: ok 13046
180: ok 13047
180: ok 13048
180: ok 13049
180: ok 13050
180: ok 13051
180: ok 13052
180: ok 13053
180: ok 13054
180: ok 13055
180: ok 13056
180: ok 13057
180: ok 13058
180: ok 13059
180: ok 13060
180: ok 13061
180: ok 13062
180: ok 13063
180: ok 13064
180: ok 13065
180: ok 13066
180: ok 13067
180: ok 13068
180: ok 13069
180: ok 13070
180: ok 13071
180: ok 13072
180: ok 13073
180: ok 13074
180: ok 13075
180: ok 13076
180: ok 13077
180: ok 13078
180: ok 13079
180: ok 13080
180: ok 13081
180: ok 13082
180: ok 13083
180: ok 13084
180: ok 13085
180: ok 13086
180: ok 13087
180: ok 13088
180: ok 13089
180: ok 13090
180: ok 13091
180: ok 13092
180: ok 13093
180: ok 13094
180: ok 13095
180: ok 13096
180: ok 13097
180: ok 13098
180: ok 13099
180: ok 13100
180: ok 13101
180: ok 13102
180: ok 13103
180: ok 13104
180: ok 13105
180: ok 13106
180: ok 13107
180: ok 13108
180: ok 13109
180: ok 13110
180: ok 13111
180: ok 13112
180: ok 13113
180: ok 13114
180: ok 13115
180: ok 13116
180: ok 13117
180: ok 13118
180: ok 13119
180: ok 13120
180: ok 13121
180: ok 13122
180: ok 13123
180: ok 13124
180: ok 13125
180: ok 13126
180: ok 13127
180: ok 13128
180: ok 13129
180: ok 13130
180: ok 13131
180: ok 13132
180: ok 13133
180: ok 13134
180: ok 13135
180: ok 13136
180: ok 13137
180: ok 13138
180: ok 13139
180: ok 13140
180: ok 13141
180: ok 13142
180: ok 13143
180: ok 13144
180: ok 13145
180: ok 13146
180: ok 13147
180: ok 13148
180: ok 13149
180: ok 13150
180: ok 13151
180: ok 13152
180: ok 13153
180: ok 13154
180: ok 13155
180: ok 13156
180: ok 13157
180: ok 13158
180: ok 13159
180: ok 13160
180: ok 13161
180: ok 13162
180: ok 13163
180: ok 13164
180: ok 13165
180: ok 13166
180: ok 13167
180: ok 13168
180: ok 13169
180: ok 13170
180: ok 13171
180: ok 13172
180: ok 13173
180: ok 13174
180: ok 13175
180: ok 13176
180: ok 13177
180: ok 13178
180: ok 13179
180: ok 13180
180: ok 13181
180: ok 13182
180: ok 13183
180: ok 13184
180: ok 13185
180: ok 13186
180: ok 13187
180: ok 13188
180: ok 13189
180: ok 13190
180: ok 13191
180: ok 13192
180: ok 13193
180: ok 13194
180: ok 13195
180: ok 13196
180: ok 13197
180: ok 13198
180: ok 13199
180: ok 13200
180: ok 13201
180: ok 13202
180: ok 13203
180: ok 13204
180: ok 13205
180: ok 13206
180: ok 13207
180: ok 13208
180: ok 13209
180: ok 13210
180: ok 13211
180: ok 13212
180: ok 13213
180: ok 13214
180: ok 13215
180: ok 13216
180: ok 13217
180: ok 13218
180: ok 13219
180: ok 13220
180: ok 13221
180: ok 13222
180: ok 13223
180: ok 13224
180: ok 13225
180: ok 13226
180: ok 13227
180: ok 13228
180: ok 13229
180: ok 13230
180: ok 13231
180: ok 13232
180: ok 13233
180: ok 13234
180: ok 13235
180: ok 13236
180: ok 13237
180: ok 13238
180: ok 13239
180: ok 13240
180: ok 13241
180: ok 13242
180: ok 13243
180: ok 13244
180: ok 13245
180: ok 13246
180: ok 13247
180: ok 13248
180: ok 13249
180: ok 13250
180: ok 13251
180: ok 13252
180: ok 13253
180: ok 13254
180: ok 13255
180: ok 13256
180: ok 13257
180: ok 13258
180: ok 13259
180: ok 13260
180: ok 13261
180: ok 13262
180: ok 13263
180: ok 13264
180: ok 13265
180: ok 13266
180: ok 13267
180: ok 13268
180: ok 13269
180: ok 13270
180: ok 13271
180: ok 13272
180: ok 13273
180: ok 13274
180: ok 13275
180: ok 13276
180: ok 13277
180: ok 13278
180: ok 13279
180: ok 13280
180: ok 13281
180: ok 13282
180: ok 13283
180: ok 13284
180: ok 13285
180: ok 13286
180: ok 13287
180: ok 13288
180: ok 13289
180: ok 13290
180: ok 13291
180: ok 13292
180: ok 13293
180: ok 13294
180: ok 13295
180: ok 13296
180: ok 13297
180: ok 13298
180: ok 13299
180: ok 13300
180: ok 13301
180: ok 13302
180: ok 13303
180: ok 13304
180: ok 13305
180: ok 13306
180: ok 13307
180: ok 13308
180: ok 13309
180: ok 13310
180: ok 13311
180: ok 13312
180: ok 13313
180: ok 13314
180: ok 13315
180: ok 13316
180: ok 13317
180: ok 13318
180: ok 13319
180: ok 13320
180: ok 13321
180: ok 13322
180: ok 13323
180: ok 13324
180: ok 13325
180: ok 13326
180: ok 13327
180: ok 13328
180: ok 13329
180: ok 13330
180: ok 13331
180: ok 13332
180: ok 13333
180: ok 13334
180: ok 13335
180: ok 13336
180: ok 13337
180: ok 13338
180: ok 13339
180: ok 13340
180: ok 13341
180: ok 13342
180: ok 13343
180: ok 13344
180: ok 13345
180: ok 13346
180: ok 13347
180: ok 13348
180: ok 13349
180: ok 13350
180: ok 13351
180: ok 13352
180: ok 13353
180: ok 13354
180: ok 13355
180: ok 13356
180: ok 13357
180: ok 13358
180: ok 13359
180: ok 13360
180: ok 13361
180: ok 13362
180: ok 13363
180: ok 13364
180: ok 13365
180: ok 13366
180: ok 13367
180: ok 13368
180: ok 13369
180: ok 13370
180: ok 13371
180: ok 13372
180: ok 13373
180: ok 13374
180: ok 13375
180: ok 13376
180: ok 13377
180: ok 13378
180: ok 13379
180: ok 13380
180: ok 13381
180: ok 13382
180: ok 13383
180: ok 13384
180: ok 13385
180: ok 13386
180: ok 13387
180: ok 13388
180: ok 13389
180: ok 13390
180: ok 13391
180: ok 13392
180: ok 13393
180: ok 13394
180: ok 13395
180: ok 13396
180: ok 13397
180: ok 13398
180: ok 13399
180: ok 13400
180: ok 13401
180: ok 13402
180: ok 13403
180: ok 13404
180: ok 13405
180: ok 13406
180: ok 13407
180: ok 13408
180: ok 13409
180: ok 13410
180: ok 13411
180: ok 13412
180: ok 13413
180: ok 13414
180: ok 13415
180: ok 13416
180: ok 13417
180: ok 13418
180: ok 13419
180: ok 13420
180: ok 13421
180: ok 13422
180: ok 13423
180: ok 13424
180: ok 13425
180: ok 13426
180: ok 13427
180: ok 13428
180: ok 13429
180: ok 13430
180: ok 13431
180: ok 13432
180: ok 13433
180: ok 13434
180: ok 13435
180: ok 13436
180: ok 13437
180: ok 13438
180: ok 13439
180: ok 13440
180: ok 13441
180: ok 13442
180: ok 13443
180: ok 13444
180: ok 13445
180: ok 13446
180: ok 13447
180: ok 13448
180: ok 13449
180: ok 13450
180: ok 13451
180: ok 13452
180: ok 13453
180: ok 13454
180: ok 13455
180: ok 13456
180: ok 13457
180: ok 13458
180: ok 13459
180: ok 13460
180: ok 13461
180: ok 13462
180: ok 13463
180: ok 13464
180: ok 13465
180: ok 13466
180: ok 13467
180: ok 13468
180: ok 13469
180: ok 13470
180: ok 13471
180: ok 13472
180: ok 13473
180: ok 13474
180: ok 13475
180: ok 13476
180: ok 13477
180: ok 13478
180: ok 13479
180: ok 13480
180: ok 13481
180: ok 13482
180: ok 13483
180: ok 13484
180: ok 13485
180: ok 13486
180: ok 13487
180: ok 13488
180: ok 13489
180: ok 13490
180: ok 13491
180: ok 13492
180: ok 13493
180: ok 13494
180: ok 13495
180: ok 13496
180: ok 13497
180: ok 13498
180: ok 13499
180: ok 13500
180: ok 13501
180: ok 13502
180: ok 13503
180: ok 13504
180: ok 13505
180: ok 13506
180: ok 13507
180: ok 13508
180: ok 13509
180: ok 13510
180: ok 13511
180: ok 13512
180: ok 13513
180: ok 13514
180: ok 13515
180: ok 13516
180: ok 13517
180: ok 13518
180: ok 13519
180: ok 13520
180: ok 13521
180: ok 13522
180: ok 13523
180: ok 13524
180: ok 13525
180: ok 13526
180: ok 13527
180: ok 13528
180: ok 13529
180: ok 13530
180: ok 13531
180: ok 13532
180: ok 13533
180: ok 13534
180: ok 13535
180: ok 13536
180: ok 13537
180: ok 13538
180: ok 13539
180: ok 13540
180: ok 13541
180: ok 13542
180: ok 13543
180: ok 13544
180: ok 13545
180: ok 13546
180: ok 13547
180: ok 13548
180: ok 13549
180: ok 13550
180: ok 13551
180: ok 13552
180: ok 13553
180: ok 13554
180: ok 13555
180: ok 13556
180: ok 13557
180: ok 13558
180: ok 13559
180: ok 13560
180: ok 13561
180: ok 13562
180: ok 13563
180: ok 13564
180: ok 13565
180: ok 13566
180: ok 13567
180: ok 13568
180: ok 13569
180: ok 13570
180: ok 13571
180: ok 13572
180: ok 13573
180: ok 13574
180: ok 13575
180: ok 13576
180: ok 13577
180: ok 13578
180: ok 13579
180: ok 13580
180: ok 13581
180: ok 13582
180: ok 13583
180: ok 13584
180: ok 13585
180: ok 13586
180: ok 13587
180: ok 13588
180: ok 13589
180: ok 13590
180: ok 13591
180: ok 13592
180: ok 13593
180: ok 13594
180: ok 13595
180: ok 13596
180: ok 13597
180: ok 13598
180: ok 13599
180: ok 13600
180: ok 13601
180: ok 13602
180: ok 13603
180: ok 13604
180: ok 13605
180: ok 13606
180: ok 13607
180: ok 13608
180: ok 13609
180: ok 13610
180: ok 13611
180: ok 13612
180: ok 13613
180: ok 13614
180: ok 13615
180: ok 13616
180: ok 13617
180: ok 13618
180: ok 13619
180: ok 13620
180: ok 13621
180: ok 13622
180: ok 13623
180: ok 13624
180: ok 13625
180: ok 13626
180: ok 13627
180: ok 13628
180: ok 13629
180: ok 13630
180: ok 13631
180: ok 13632
180: ok 13633
180: ok 13634
180: ok 13635
180: ok 13636
180: ok 13637
180: ok 13638
180: ok 13639
180: ok 13640
180: ok 13641
180: ok 13642
180: ok 13643
180: ok 13644
180: ok 13645
180: ok 13646
180: ok 13647
180: ok 13648
180: ok 13649
180: ok 13650
180: ok 13651
180: ok 13652
180: ok 13653
180: ok 13654
180: ok 13655
180: ok 13656
180: ok 13657
180: ok 13658
180: ok 13659
180: ok 13660
180: ok 13661
180: ok 13662
180: ok 13663
180: ok 13664
180: ok 13665
180: ok 13666
180: ok 13667
180: ok 13668
180: ok 13669
180: ok 13670
180: ok 13671
180: ok 13672
180: ok 13673
180: ok 13674
180: ok 13675
180: ok 13676
180: ok 13677
180: ok 13678
180: ok 13679
180: ok 13680
180: ok 13681
180: ok 13682
180: ok 13683
180: ok 13684
180: ok 13685
180: ok 13686
180: ok 13687
180: ok 13688
180: ok 13689
180: ok 13690
180: ok 13691
180: ok 13692
180: ok 13693
180: ok 13694
180: ok 13695
180: ok 13696
180: ok 13697
180: ok 13698
180: ok 13699
180: ok 13700
180: ok 13701
180: ok 13702
180: ok 13703
180: ok 13704
180: ok 13705
180: ok 13706
180: ok 13707
180: ok 13708
180: ok 13709
180: ok 13710
180: ok 13711
180: ok 13712
180: ok 13713
180: ok 13714
180: ok 13715
180: ok 13716
180: ok 13717
180: ok 13718
180: ok 13719
180: ok 13720
180: ok 13721
180: ok 13722
180: ok 13723
180: ok 13724
180: ok 13725
180: ok 13726
180: ok 13727
180: ok 13728
180: ok 13729
180: ok 13730
180: ok 13731
180: ok 13732
180: ok 13733
180: ok 13734
180: ok 13735
180: ok 13736
180: ok 13737
180: ok 13738
180: ok 13739
180: ok 13740
180: ok 13741
180: ok 13742
180: ok 13743
180: ok 13744
180: ok 13745
180: ok 13746
180: ok 13747
180: ok 13748
180: ok 13749
180: ok 13750
180: ok 13751
180: ok 13752
180: ok 13753
180: ok 13754
180: ok 13755
180: ok 13756
180: ok 13757
180: ok 13758
180: ok 13759
180: ok 13760
180: ok 13761
180: ok 13762
180: ok 13763
180: ok 13764
180: ok 13765
180: ok 13766
180: ok 13767
180: ok 13768
180: ok 13769
180: ok 13770
180: ok 13771
180: ok 13772
180: ok 13773
180: ok 13774
180: ok 13775
180: ok 13776
180: ok 13777
180: ok 13778
180: ok 13779
180: ok 13780
180: ok 13781
180: ok 13782
180: ok 13783
180: ok 13784
180: ok 13785
180: ok 13786
180: ok 13787
180: ok 13788
180: ok 13789
180: ok 13790
180: ok 13791
180: ok 13792
180: ok 13793
180: ok 13794
180: ok 13795
180: ok 13796
180: ok 13797
180: ok 13798
180: ok 13799
180: ok 13800
180: ok 13801
180: ok 13802
180: ok 13803
180: ok 13804
180: ok 13805
180: ok 13806
180: ok 13807
180: ok 13808
180: ok 13809
180: ok 13810
180: ok 13811
180: ok 13812
180: ok 13813
180: ok 13814
180: ok 13815
180: ok 13816
180: ok 13817
180: ok 13818
180: ok 13819
180: ok 13820
180: ok 13821
180: ok 13822
180: ok 13823
180: ok 13824
180: ok 13825
180: ok 13826
180: ok 13827
180: ok 13828
180: ok 13829
180: ok 13830
180: ok 13831
180: ok 13832
180: ok 13833
180: ok 13834
180: ok 13835
180: ok 13836
180: ok 13837
180: ok 13838
180: ok 13839
180: ok 13840
180: ok 13841
180: ok 13842
180: ok 13843
180: ok 13844
180: ok 13845
180: ok 13846
180: ok 13847
180: ok 13848
180: ok 13849
180: ok 13850
180: ok 13851
180: ok 13852
180: ok 13853
180: ok 13854
180: ok 13855
180: ok 13856
180: ok 13857
180: ok 13858
180: ok 13859
180: ok 13860
180: ok 13861
180: ok 13862
180: ok 13863
180: ok 13864
180: ok 13865
180: ok 13866
180: ok 13867
180: ok 13868
180: ok 13869
180: ok 13870
180: ok 13871
180: ok 13872
180: ok 13873
180: ok 13874
180: ok 13875
180: ok 13876
180: ok 13877
180: ok 13878
180: ok 13879
180: ok 13880
180: ok 13881
180: ok 13882
180: ok 13883
180: ok 13884
180: ok 13885
180: ok 13886
180: ok 13887
180: ok 13888
180: ok 13889
180: ok 13890
180: ok 13891
180: ok 13892
180: ok 13893
180: ok 13894
180: ok 13895
180: ok 13896
180: ok 13897
180: ok 13898
180: ok 13899
180: ok 13900
180: ok 13901
180: ok 13902
180: ok 13903
180: ok 13904
180: ok 13905
180: ok 13906
180: ok 13907
180: ok 13908
180: ok 13909
180: ok 13910
180: ok 13911
180: ok 13912
180: ok 13913
180: ok 13914
180: ok 13915
180: ok 13916
180: ok 13917
180: ok 13918
180: ok 13919
180: ok 13920
180: ok 13921
180: ok 13922
180: ok 13923
180: ok 13924
180: ok 13925
180: ok 13926
180: ok 13927
180: ok 13928
180: ok 13929
180: ok 13930
180: ok 13931
180: ok 13932
180: ok 13933
180: ok 13934
180: ok 13935
180: ok 13936
180: ok 13937
180: ok 13938
180: ok 13939
180: ok 13940
180: ok 13941
180: ok 13942
180: ok 13943
180: ok 13944
180: ok 13945
180: ok 13946
180: ok 13947
180: ok 13948
180: ok 13949
180: ok 13950
180: ok 13951
180: ok 13952
180: ok 13953
180: ok 13954
180: ok 13955
180: ok 13956
180: ok 13957
180: ok 13958
180: ok 13959
180: ok 13960
180: ok 13961
180: ok 13962
180: ok 13963
180: ok 13964
180: ok 13965
180: ok 13966
180: ok 13967
180: ok 13968
180: ok 13969
180: ok 13970
180: ok 13971
180: ok 13972
180: ok 13973
180: ok 13974
180: ok 13975
180: ok 13976
180: ok 13977
180: ok 13978
180: ok 13979
180: ok 13980
180: ok 13981
180: ok 13982
180: ok 13983
180: ok 13984
180: ok 13985
180: ok 13986
180: ok 13987
180: ok 13988
180: ok 13989
180: ok 13990
180: ok 13991
180: ok 13992
180: ok 13993
180: ok 13994
180: ok 13995
180: ok 13996
180: ok 13997
180: ok 13998
180: ok 13999
180: ok 14000
180: # math: passed testArithmeticOperators
180: # math: entering testDistancesAnglesOrthogonality
180: ok 14001
180: ok 14002
180: ok 14003
180: ok 14004
180: ok 14005
180: ok 14006
180: ok 14007
180: ok 14008
180: ok 14009
180: ok 14010
180: ok 14011
180: ok 14012
180: ok 14013
180: ok 14014
180: ok 14015
180: ok 14016
180: ok 14017
180: ok 14018
180: ok 14019
180: ok 14020
180: ok 14021
180: ok 14022
180: ok 14023
180: ok 14024
180: ok 14025
180: ok 14026
180: ok 14027
180: ok 14028
180: ok 14029
180: ok 14030
180: ok 14031
180: ok 14032
180: ok 14033
180: ok 14034
180: ok 14035
180: ok 14036
180: ok 14037
180: ok 14038
180: ok 14039
180: ok 14040
180: ok 14041
180: ok 14042
180: ok 14043
180: ok 14044
180: ok 14045
180: ok 14046
180: ok 14047
180: ok 14048
180: ok 14049
180: ok 14050
180: ok 14051
180: ok 14052
180: ok 14053
180: ok 14054
180: ok 14055
180: ok 14056
180: ok 14057
180: ok 14058
180: ok 14059
180: ok 14060
180: ok 14061
180: ok 14062
180: ok 14063
180: ok 14064
180: ok 14065
180: ok 14066
180: ok 14067
180: ok 14068
180: ok 14069
180: ok 14070
180: ok 14071
180: ok 14072
180: ok 14073
180: ok 14074
180: ok 14075
180: ok 14076
180: ok 14077
180: ok 14078
180: ok 14079
180: ok 14080
180: ok 14081
180: ok 14082
180: ok 14083
180: ok 14084
180: ok 14085
180: ok 14086
180: ok 14087
180: ok 14088
180: ok 14089
180: ok 14090
180: ok 14091
180: ok 14092
180: ok 14093
180: ok 14094
180: ok 14095
180: ok 14096
180: ok 14097
180: ok 14098
180: ok 14099
180: ok 14100
180: ok 14101
180: ok 14102
180: ok 14103
180: ok 14104
180: ok 14105
180: ok 14106
180: ok 14107
180: ok 14108
180: ok 14109
180: ok 14110
180: ok 14111
180: ok 14112
180: ok 14113
180: ok 14114
180: ok 14115
180: ok 14116
180: ok 14117
180: ok 14118
180: ok 14119
180: ok 14120
180: ok 14121
180: ok 14122
180: ok 14123
180: ok 14124
180: ok 14125
180: ok 14126
180: ok 14127
180: ok 14128
180: ok 14129
180: ok 14130
180: ok 14131
180: ok 14132
180: ok 14133
180: ok 14134
180: ok 14135
180: ok 14136
180: ok 14137
180: ok 14138
180: ok 14139
180: ok 14140
180: ok 14141
180: ok 14142
180: ok 14143
180: ok 14144
180: ok 14145
180: ok 14146
180: ok 14147
180: ok 14148
180: ok 14149
180: ok 14150
180: ok 14151
180: ok 14152
180: ok 14153
180: ok 14154
180: ok 14155
180: ok 14156
180: ok 14157
180: ok 14158
180: ok 14159
180: ok 14160
180: ok 14161
180: ok 14162
180: ok 14163
180: ok 14164
180: ok 14165
180: ok 14166
180: ok 14167
180: ok 14168
180: ok 14169
180: ok 14170
180: ok 14171
180: ok 14172
180: ok 14173
180: ok 14174
180: ok 14175
180: ok 14176
180: ok 14177
180: ok 14178
180: ok 14179
180: ok 14180
180: ok 14181
180: ok 14182
180: ok 14183
180: ok 14184
180: ok 14185
180: ok 14186
180: ok 14187
180: ok 14188
180: ok 14189
180: ok 14190
180: ok 14191
180: ok 14192
180: ok 14193
180: ok 14194
180: ok 14195
180: ok 14196
180: ok 14197
180: ok 14198
180: ok 14199
180: ok 14200
180: ok 14201
180: ok 14202
180: ok 14203
180: ok 14204
180: ok 14205
180: ok 14206
180: ok 14207
180: ok 14208
180: ok 14209
180: ok 14210
180: ok 14211
180: ok 14212
180: ok 14213
180: ok 14214
180: ok 14215
180: ok 14216
180: ok 14217
180: ok 14218
180: ok 14219
180: ok 14220
180: ok 14221
180: ok 14222
180: ok 14223
180: ok 14224
180: ok 14225
180: ok 14226
180: ok 14227
180: ok 14228
180: ok 14229
180: ok 14230
180: ok 14231
180: ok 14232
180: ok 14233
180: ok 14234
180: ok 14235
180: ok 14236
180: ok 14237
180: ok 14238
180: ok 14239
180: ok 14240
180: ok 14241
180: ok 14242
180: ok 14243
180: ok 14244
180: ok 14245
180: ok 14246
180: ok 14247
180: ok 14248
180: ok 14249
180: ok 14250
180: ok 14251
180: ok 14252
180: ok 14253
180: ok 14254
180: ok 14255
180: ok 14256
180: ok 14257
180: ok 14258
180: ok 14259
180: ok 14260
180: ok 14261
180: ok 14262
180: ok 14263
180: ok 14264
180: ok 14265
180: ok 14266
180: ok 14267
180: ok 14268
180: ok 14269
180: ok 14270
180: ok 14271
180: ok 14272
180: ok 14273
180: ok 14274
180: ok 14275
180: ok 14276
180: ok 14277
180: ok 14278
180: ok 14279
180: ok 14280
180: ok 14281
180: ok 14282
180: ok 14283
180: ok 14284
180: ok 14285
180: ok 14286
180: ok 14287
180: ok 14288
180: ok 14289
180: ok 14290
180: ok 14291
180: ok 14292
180: ok 14293
180: ok 14294
180: ok 14295
180: ok 14296
180: ok 14297
180: ok 14298
180: ok 14299
180: ok 14300
180: ok 14301
180: ok 14302
180: ok 14303
180: ok 14304
180: ok 14305
180: ok 14306
180: ok 14307
180: ok 14308
180: ok 14309
180: ok 14310
180: ok 14311
180: ok 14312
180: ok 14313
180: ok 14314
180: ok 14315
180: ok 14316
180: ok 14317
180: ok 14318
180: ok 14319
180: ok 14320
180: ok 14321
180: ok 14322
180: ok 14323
180: ok 14324
180: ok 14325
180: ok 14326
180: ok 14327
180: ok 14328
180: ok 14329
180: ok 14330
180: ok 14331
180: ok 14332
180: ok 14333
180: ok 14334
180: ok 14335
180: ok 14336
180: ok 14337
180: ok 14338
180: ok 14339
180: ok 14340
180: ok 14341
180: ok 14342
180: ok 14343
180: ok 14344
180: ok 14345
180: ok 14346
180: ok 14347
180: ok 14348
180: ok 14349
180: ok 14350
180: ok 14351
180: ok 14352
180: ok 14353
180: ok 14354
180: ok 14355
180: ok 14356
180: ok 14357
180: ok 14358
180: ok 14359
180: ok 14360
180: ok 14361
180: ok 14362
180: ok 14363
180: ok 14364
180: ok 14365
180: ok 14366
180: ok 14367
180: ok 14368
180: ok 14369
180: ok 14370
180: ok 14371
180: ok 14372
180: ok 14373
180: ok 14374
180: ok 14375
180: ok 14376
180: ok 14377
180: ok 14378
180: ok 14379
180: ok 14380
180: ok 14381
180: ok 14382
180: ok 14383
180: ok 14384
180: ok 14385
180: ok 14386
180: ok 14387
180: ok 14388
180: ok 14389
180: ok 14390
180: ok 14391
180: ok 14392
180: ok 14393
180: ok 14394
180: ok 14395
180: ok 14396
180: ok 14397
180: ok 14398
180: ok 14399
180: ok 14400
180: ok 14401
180: ok 14402
180: ok 14403
180: ok 14404
180: ok 14405
180: ok 14406
180: ok 14407
180: ok 14408
180: ok 14409
180: ok 14410
180: ok 14411
180: ok 14412
180: ok 14413
180: ok 14414
180: ok 14415
180: ok 14416
180: ok 14417
180: ok 14418
180: ok 14419
180: ok 14420
180: ok 14421
180: ok 14422
180: ok 14423
180: ok 14424
180: ok 14425
180: ok 14426
180: ok 14427
180: ok 14428
180: ok 14429
180: ok 14430
180: ok 14431
180: ok 14432
180: ok 14433
180: ok 14434
180: ok 14435
180: ok 14436
180: ok 14437
180: ok 14438
180: ok 14439
180: ok 14440
180: ok 14441
180: ok 14442
180: ok 14443
180: ok 14444
180: ok 14445
180: ok 14446
180: ok 14447
180: ok 14448
180: ok 14449
180: ok 14450
180: ok 14451
180: ok 14452
180: ok 14453
180: ok 14454
180: ok 14455
180: ok 14456
180: ok 14457
180: ok 14458
180: ok 14459
180: ok 14460
180: ok 14461
180: ok 14462
180: ok 14463
180: ok 14464
180: ok 14465
180: ok 14466
180: ok 14467
180: ok 14468
180: ok 14469
180: ok 14470
180: ok 14471
180: ok 14472
180: ok 14473
180: ok 14474
180: ok 14475
180: ok 14476
180: ok 14477
180: ok 14478
180: ok 14479
180: ok 14480
180: ok 14481
180: ok 14482
180: ok 14483
180: ok 14484
180: ok 14485
180: ok 14486
180: ok 14487
180: ok 14488
180: ok 14489
180: ok 14490
180: ok 14491
180: ok 14492
180: ok 14493
180: ok 14494
180: ok 14495
180: ok 14496
180: ok 14497
180: ok 14498
180: ok 14499
180: ok 14500
180: ok 14501
180: ok 14502
180: ok 14503
180: ok 14504
180: ok 14505
180: ok 14506
180: ok 14507
180: ok 14508
180: ok 14509
180: ok 14510
180: ok 14511
180: ok 14512
180: ok 14513
180: ok 14514
180: ok 14515
180: ok 14516
180: ok 14517
180: ok 14518
180: ok 14519
180: ok 14520
180: ok 14521
180: ok 14522
180: ok 14523
180: ok 14524
180: ok 14525
180: ok 14526
180: ok 14527
180: ok 14528
180: ok 14529
180: ok 14530
180: ok 14531
180: ok 14532
180: ok 14533
180: ok 14534
180: ok 14535
180: ok 14536
180: ok 14537
180: ok 14538
180: ok 14539
180: ok 14540
180: ok 14541
180: ok 14542
180: ok 14543
180: ok 14544
180: ok 14545
180: ok 14546
180: ok 14547
180: ok 14548
180: ok 14549
180: ok 14550
180: ok 14551
180: ok 14552
180: ok 14553
180: ok 14554
180: ok 14555
180: ok 14556
180: ok 14557
180: ok 14558
180: ok 14559
180: ok 14560
180: ok 14561
180: ok 14562
180: ok 14563
180: ok 14564
180: ok 14565
180: ok 14566
180: ok 14567
180: ok 14568
180: ok 14569
180: ok 14570
180: ok 14571
180: ok 14572
180: ok 14573
180: ok 14574
180: ok 14575
180: ok 14576
180: ok 14577
180: ok 14578
180: ok 14579
180: ok 14580
180: ok 14581
180: ok 14582
180: ok 14583
180: ok 14584
180: ok 14585
180: ok 14586
180: ok 14587
180: ok 14588
180: ok 14589
180: ok 14590
180: ok 14591
180: ok 14592
180: ok 14593
180: ok 14594
180: ok 14595
180: ok 14596
180: ok 14597
180: ok 14598
180: ok 14599
180: ok 14600
180: ok 14601
180: ok 14602
180: ok 14603
180: ok 14604
180: ok 14605
180: ok 14606
180: ok 14607
180: ok 14608
180: ok 14609
180: ok 14610
180: ok 14611
180: ok 14612
180: ok 14613
180: ok 14614
180: ok 14615
180: ok 14616
180: ok 14617
180: ok 14618
180: ok 14619
180: ok 14620
180: ok 14621
180: ok 14622
180: ok 14623
180: ok 14624
180: ok 14625
180: ok 14626
180: ok 14627
180: ok 14628
180: ok 14629
180: ok 14630
180: ok 14631
180: ok 14632
180: ok 14633
180: ok 14634
180: ok 14635
180: ok 14636
180: ok 14637
180: ok 14638
180: ok 14639
180: ok 14640
180: ok 14641
180: ok 14642
180: ok 14643
180: ok 14644
180: ok 14645
180: ok 14646
180: ok 14647
180: ok 14648
180: ok 14649
180: ok 14650
180: ok 14651
180: ok 14652
180: ok 14653
180: ok 14654
180: ok 14655
180: ok 14656
180: ok 14657
180: ok 14658
180: ok 14659
180: ok 14660
180: ok 14661
180: ok 14662
180: ok 14663
180: ok 14664
180: ok 14665
180: ok 14666
180: ok 14667
180: ok 14668
180: ok 14669
180: ok 14670
180: ok 14671
180: ok 14672
180: ok 14673
180: ok 14674
180: ok 14675
180: ok 14676
180: ok 14677
180: ok 14678
180: ok 14679
180: ok 14680
180: ok 14681
180: ok 14682
180: ok 14683
180: ok 14684
180: ok 14685
180: ok 14686
180: ok 14687
180: ok 14688
180: ok 14689
180: ok 14690
180: ok 14691
180: ok 14692
180: ok 14693
180: ok 14694
180: ok 14695
180: ok 14696
180: ok 14697
180: ok 14698
180: ok 14699
180: ok 14700
180: ok 14701
180: ok 14702
180: ok 14703
180: ok 14704
180: ok 14705
180: ok 14706
180: ok 14707
180: ok 14708
180: ok 14709
180: ok 14710
180: ok 14711
180: ok 14712
180: ok 14713
180: ok 14714
180: ok 14715
180: ok 14716
180: ok 14717
180: ok 14718
180: ok 14719
180: ok 14720
180: ok 14721
180: ok 14722
180: ok 14723
180: ok 14724
180: ok 14725
180: ok 14726
180: ok 14727
180: ok 14728
180: ok 14729
180: ok 14730
180: ok 14731
180: ok 14732
180: ok 14733
180: ok 14734
180: ok 14735
180: ok 14736
180: ok 14737
180: ok 14738
180: ok 14739
180: ok 14740
180: ok 14741
180: ok 14742
180: ok 14743
180: ok 14744
180: ok 14745
180: ok 14746
180: ok 14747
180: ok 14748
180: ok 14749
180: ok 14750
180: ok 14751
180: ok 14752
180: ok 14753
180: ok 14754
180: ok 14755
180: ok 14756
180: ok 14757
180: ok 14758
180: ok 14759
180: ok 14760
180: ok 14761
180: ok 14762
180: ok 14763
180: ok 14764
180: ok 14765
180: ok 14766
180: ok 14767
180: ok 14768
180: ok 14769
180: ok 14770
180: ok 14771
180: ok 14772
180: ok 14773
180: ok 14774
180: ok 14775
180: ok 14776
180: ok 14777
180: ok 14778
180: ok 14779
180: ok 14780
180: ok 14781
180: ok 14782
180: ok 14783
180: ok 14784
180: ok 14785
180: ok 14786
180: ok 14787
180: ok 14788
180: ok 14789
180: ok 14790
180: ok 14791
180: ok 14792
180: ok 14793
180: ok 14794
180: ok 14795
180: ok 14796
180: ok 14797
180: ok 14798
180: ok 14799
180: ok 14800
180: ok 14801
180: ok 14802
180: ok 14803
180: ok 14804
180: ok 14805
180: ok 14806
180: ok 14807
180: ok 14808
180: ok 14809
180: ok 14810
180: ok 14811
180: ok 14812
180: ok 14813
180: ok 14814
180: ok 14815
180: ok 14816
180: ok 14817
180: ok 14818
180: ok 14819
180: ok 14820
180: ok 14821
180: ok 14822
180: ok 14823
180: ok 14824
180: ok 14825
180: ok 14826
180: ok 14827
180: ok 14828
180: ok 14829
180: ok 14830
180: ok 14831
180: ok 14832
180: ok 14833
180: ok 14834
180: ok 14835
180: ok 14836
180: ok 14837
180: ok 14838
180: ok 14839
180: ok 14840
180: ok 14841
180: ok 14842
180: ok 14843
180: ok 14844
180: ok 14845
180: ok 14846
180: ok 14847
180: ok 14848
180: ok 14849
180: ok 14850
180: ok 14851
180: ok 14852
180: ok 14853
180: ok 14854
180: ok 14855
180: ok 14856
180: ok 14857
180: ok 14858
180: ok 14859
180: ok 14860
180: ok 14861
180: ok 14862
180: ok 14863
180: ok 14864
180: ok 14865
180: ok 14866
180: ok 14867
180: ok 14868
180: ok 14869
180: ok 14870
180: ok 14871
180: ok 14872
180: ok 14873
180: ok 14874
180: ok 14875
180: ok 14876
180: ok 14877
180: ok 14878
180: ok 14879
180: ok 14880
180: ok 14881
180: ok 14882
180: ok 14883
180: ok 14884
180: ok 14885
180: ok 14886
180: ok 14887
180: ok 14888
180: ok 14889
180: ok 14890
180: ok 14891
180: ok 14892
180: ok 14893
180: ok 14894
180: ok 14895
180: ok 14896
180: ok 14897
180: ok 14898
180: ok 14899
180: ok 14900
180: ok 14901
180: ok 14902
180: ok 14903
180: ok 14904
180: ok 14905
180: ok 14906
180: ok 14907
180: ok 14908
180: ok 14909
180: ok 14910
180: ok 14911
180: ok 14912
180: ok 14913
180: ok 14914
180: ok 14915
180: ok 14916
180: ok 14917
180: ok 14918
180: ok 14919
180: ok 14920
180: ok 14921
180: ok 14922
180: ok 14923
180: ok 14924
180: ok 14925
180: ok 14926
180: ok 14927
180: ok 14928
180: ok 14929
180: ok 14930
180: ok 14931
180: ok 14932
180: ok 14933
180: ok 14934
180: ok 14935
180: ok 14936
180: ok 14937
180: ok 14938
180: ok 14939
180: ok 14940
180: ok 14941
180: ok 14942
180: ok 14943
180: ok 14944
180: ok 14945
180: ok 14946
180: ok 14947
180: ok 14948
180: ok 14949
180: ok 14950
180: ok 14951
180: ok 14952
180: ok 14953
180: ok 14954
180: ok 14955
180: ok 14956
180: ok 14957
180: ok 14958
180: ok 14959
180: ok 14960
180: ok 14961
180: ok 14962
180: ok 14963
180: ok 14964
180: ok 14965
180: ok 14966
180: ok 14967
180: ok 14968
180: ok 14969
180: ok 14970
180: ok 14971
180: ok 14972
180: ok 14973
180: ok 14974
180: ok 14975
180: ok 14976
180: ok 14977
180: ok 14978
180: ok 14979
180: ok 14980
180: ok 14981
180: ok 14982
180: ok 14983
180: ok 14984
180: ok 14985
180: ok 14986
180: ok 14987
180: ok 14988
180: ok 14989
180: ok 14990
180: ok 14991
180: ok 14992
180: ok 14993
180: ok 14994
180: ok 14995
180: ok 14996
180: ok 14997
180: ok 14998
180: ok 14999
180: ok 15000
180: ok 15001
180: ok 15002
180: ok 15003
180: ok 15004
180: ok 15005
180: ok 15006
180: ok 15007
180: ok 15008
180: ok 15009
180: ok 15010
180: ok 15011
180: ok 15012
180: ok 15013
180: ok 15014
180: ok 15015
180: ok 15016
180: ok 15017
180: ok 15018
180: ok 15019
180: ok 15020
180: ok 15021
180: ok 15022
180: ok 15023
180: ok 15024
180: ok 15025
180: ok 15026
180: ok 15027
180: ok 15028
180: ok 15029
180: ok 15030
180: ok 15031
180: ok 15032
180: ok 15033
180: ok 15034
180: ok 15035
180: ok 15036
180: ok 15037
180: ok 15038
180: ok 15039
180: ok 15040
180: ok 15041
180: ok 15042
180: ok 15043
180: ok 15044
180: ok 15045
180: ok 15046
180: ok 15047
180: ok 15048
180: ok 15049
180: ok 15050
180: ok 15051
180: ok 15052
180: ok 15053
180: ok 15054
180: ok 15055
180: ok 15056
180: ok 15057
180: ok 15058
180: ok 15059
180: ok 15060
180: ok 15061
180: ok 15062
180: ok 15063
180: ok 15064
180: ok 15065
180: ok 15066
180: ok 15067
180: ok 15068
180: ok 15069
180: ok 15070
180: ok 15071
180: ok 15072
180: ok 15073
180: ok 15074
180: ok 15075
180: ok 15076
180: ok 15077
180: ok 15078
180: ok 15079
180: ok 15080
180: ok 15081
180: ok 15082
180: ok 15083
180: ok 15084
180: ok 15085
180: ok 15086
180: ok 15087
180: ok 15088
180: ok 15089
180: ok 15090
180: ok 15091
180: ok 15092
180: ok 15093
180: ok 15094
180: ok 15095
180: ok 15096
180: ok 15097
180: ok 15098
180: ok 15099
180: ok 15100
180: ok 15101
180: ok 15102
180: ok 15103
180: ok 15104
180: ok 15105
180: ok 15106
180: ok 15107
180: ok 15108
180: ok 15109
180: ok 15110
180: ok 15111
180: ok 15112
180: ok 15113
180: ok 15114
180: ok 15115
180: ok 15116
180: ok 15117
180: ok 15118
180: ok 15119
180: ok 15120
180: ok 15121
180: ok 15122
180: ok 15123
180: ok 15124
180: ok 15125
180: ok 15126
180: ok 15127
180: ok 15128
180: ok 15129
180: ok 15130
180: ok 15131
180: ok 15132
180: ok 15133
180: ok 15134
180: ok 15135
180: ok 15136
180: ok 15137
180: ok 15138
180: ok 15139
180: ok 15140
180: ok 15141
180: ok 15142
180: ok 15143
180: ok 15144
180: ok 15145
180: ok 15146
180: ok 15147
180: ok 15148
180: ok 15149
180: ok 15150
180: ok 15151
180: ok 15152
180: ok 15153
180: ok 15154
180: ok 15155
180: ok 15156
180: ok 15157
180: ok 15158
180: ok 15159
180: ok 15160
180: ok 15161
180: ok 15162
180: ok 15163
180: ok 15164
180: ok 15165
180: ok 15166
180: ok 15167
180: ok 15168
180: ok 15169
180: ok 15170
180: ok 15171
180: ok 15172
180: ok 15173
180: ok 15174
180: ok 15175
180: ok 15176
180: ok 15177
180: ok 15178
180: ok 15179
180: ok 15180
180: ok 15181
180: ok 15182
180: ok 15183
180: ok 15184
180: ok 15185
180: ok 15186
180: ok 15187
180: ok 15188
180: ok 15189
180: ok 15190
180: ok 15191
180: ok 15192
180: ok 15193
180: ok 15194
180: ok 15195
180: ok 15196
180: ok 15197
180: ok 15198
180: ok 15199
180: ok 15200
180: ok 15201
180: ok 15202
180: ok 15203
180: ok 15204
180: ok 15205
180: ok 15206
180: ok 15207
180: ok 15208
180: ok 15209
180: ok 15210
180: ok 15211
180: ok 15212
180: ok 15213
180: ok 15214
180: ok 15215
180: ok 15216
180: ok 15217
180: ok 15218
180: ok 15219
180: ok 15220
180: ok 15221
180: ok 15222
180: ok 15223
180: ok 15224
180: ok 15225
180: ok 15226
180: ok 15227
180: ok 15228
180: ok 15229
180: ok 15230
180: ok 15231
180: ok 15232
180: ok 15233
180: ok 15234
180: ok 15235
180: ok 15236
180: ok 15237
180: ok 15238
180: ok 15239
180: ok 15240
180: ok 15241
180: ok 15242
180: ok 15243
180: ok 15244
180: ok 15245
180: ok 15246
180: ok 15247
180: ok 15248
180: ok 15249
180: ok 15250
180: ok 15251
180: ok 15252
180: ok 15253
180: ok 15254
180: ok 15255
180: ok 15256
180: ok 15257
180: ok 15258
180: ok 15259
180: ok 15260
180: ok 15261
180: ok 15262
180: ok 15263
180: ok 15264
180: ok 15265
180: ok 15266
180: ok 15267
180: ok 15268
180: ok 15269
180: ok 15270
180: ok 15271
180: ok 15272
180: ok 15273
180: ok 15274
180: ok 15275
180: ok 15276
180: ok 15277
180: ok 15278
180: ok 15279
180: ok 15280
180: ok 15281
180: ok 15282
180: ok 15283
180: ok 15284
180: ok 15285
180: ok 15286
180: ok 15287
180: ok 15288
180: ok 15289
180: ok 15290
180: ok 15291
180: ok 15292
180: ok 15293
180: ok 15294
180: ok 15295
180: ok 15296
180: ok 15297
180: ok 15298
180: ok 15299
180: ok 15300
180: ok 15301
180: ok 15302
180: ok 15303
180: ok 15304
180: ok 15305
180: ok 15306
180: ok 15307
180: ok 15308
180: ok 15309
180: ok 15310
180: ok 15311
180: ok 15312
180: ok 15313
180: ok 15314
180: ok 15315
180: ok 15316
180: ok 15317
180: ok 15318
180: ok 15319
180: ok 15320
180: ok 15321
180: ok 15322
180: ok 15323
180: ok 15324
180: ok 15325
180: ok 15326
180: ok 15327
180: ok 15328
180: ok 15329
180: ok 15330
180: ok 15331
180: ok 15332
180: ok 15333
180: ok 15334
180: ok 15335
180: ok 15336
180: ok 15337
180: ok 15338
180: ok 15339
180: ok 15340
180: ok 15341
180: ok 15342
180: ok 15343
180: ok 15344
180: ok 15345
180: ok 15346
180: ok 15347
180: ok 15348
180: ok 15349
180: ok 15350
180: ok 15351
180: ok 15352
180: ok 15353
180: ok 15354
180: ok 15355
180: ok 15356
180: ok 15357
180: ok 15358
180: ok 15359
180: ok 15360
180: ok 15361
180: ok 15362
180: ok 15363
180: ok 15364
180: ok 15365
180: ok 15366
180: ok 15367
180: ok 15368
180: ok 15369
180: ok 15370
180: ok 15371
180: ok 15372
180: ok 15373
180: ok 15374
180: ok 15375
180: ok 15376
180: ok 15377
180: ok 15378
180: ok 15379
180: ok 15380
180: ok 15381
180: ok 15382
180: ok 15383
180: ok 15384
180: ok 15385
180: ok 15386
180: ok 15387
180: ok 15388
180: ok 15389
180: ok 15390
180: ok 15391
180: ok 15392
180: ok 15393
180: ok 15394
180: ok 15395
180: ok 15396
180: ok 15397
180: ok 15398
180: ok 15399
180: ok 15400
180: ok 15401
180: ok 15402
180: ok 15403
180: ok 15404
180: ok 15405
180: ok 15406
180: ok 15407
180: ok 15408
180: ok 15409
180: ok 15410
180: ok 15411
180: ok 15412
180: ok 15413
180: ok 15414
180: ok 15415
180: ok 15416
180: ok 15417
180: ok 15418
180: ok 15419
180: ok 15420
180: ok 15421
180: ok 15422
180: ok 15423
180: ok 15424
180: ok 15425
180: ok 15426
180: ok 15427
180: ok 15428
180: ok 15429
180: ok 15430
180: ok 15431
180: ok 15432
180: ok 15433
180: ok 15434
180: ok 15435
180: ok 15436
180: ok 15437
180: ok 15438
180: ok 15439
180: ok 15440
180: ok 15441
180: ok 15442
180: ok 15443
180: ok 15444
180: ok 15445
180: ok 15446
180: ok 15447
180: ok 15448
180: ok 15449
180: ok 15450
180: ok 15451
180: ok 15452
180: ok 15453
180: ok 15454
180: ok 15455
180: ok 15456
180: ok 15457
180: ok 15458
180: ok 15459
180: ok 15460
180: ok 15461
180: ok 15462
180: ok 15463
180: ok 15464
180: ok 15465
180: ok 15466
180: ok 15467
180: ok 15468
180: ok 15469
180: ok 15470
180: ok 15471
180: ok 15472
180: ok 15473
180: ok 15474
180: ok 15475
180: ok 15476
180: ok 15477
180: ok 15478
180: ok 15479
180: ok 15480
180: ok 15481
180: ok 15482
180: ok 15483
180: ok 15484
180: ok 15485
180: ok 15486
180: ok 15487
180: ok 15488
180: ok 15489
180: ok 15490
180: ok 15491
180: ok 15492
180: ok 15493
180: ok 15494
180: ok 15495
180: ok 15496
180: ok 15497
180: ok 15498
180: ok 15499
180: ok 15500
180: ok 15501
180: ok 15502
180: ok 15503
180: ok 15504
180: ok 15505
180: ok 15506
180: ok 15507
180: ok 15508
180: ok 15509
180: ok 15510
180: ok 15511
180: ok 15512
180: ok 15513
180: ok 15514
180: ok 15515
180: ok 15516
180: ok 15517
180: ok 15518
180: ok 15519
180: ok 15520
180: ok 15521
180: ok 15522
180: ok 15523
180: ok 15524
180: ok 15525
180: ok 15526
180: ok 15527
180: ok 15528
180: ok 15529
180: ok 15530
180: ok 15531
180: ok 15532
180: ok 15533
180: ok 15534
180: ok 15535
180: ok 15536
180: ok 15537
180: ok 15538
180: ok 15539
180: ok 15540
180: ok 15541
180: ok 15542
180: ok 15543
180: ok 15544
180: ok 15545
180: ok 15546
180: ok 15547
180: ok 15548
180: ok 15549
180: ok 15550
180: ok 15551
180: ok 15552
180: ok 15553
180: ok 15554
180: ok 15555
180: ok 15556
180: ok 15557
180: ok 15558
180: ok 15559
180: ok 15560
180: ok 15561
180: ok 15562
180: ok 15563
180: ok 15564
180: ok 15565
180: ok 15566
180: ok 15567
180: ok 15568
180: ok 15569
180: ok 15570
180: ok 15571
180: ok 15572
180: ok 15573
180: ok 15574
180: ok 15575
180: ok 15576
180: ok 15577
180: ok 15578
180: ok 15579
180: ok 15580
180: ok 15581
180: ok 15582
180: ok 15583
180: ok 15584
180: ok 15585
180: ok 15586
180: ok 15587
180: ok 15588
180: ok 15589
180: ok 15590
180: ok 15591
180: ok 15592
180: ok 15593
180: ok 15594
180: ok 15595
180: ok 15596
180: ok 15597
180: ok 15598
180: ok 15599
180: ok 15600
180: ok 15601
180: ok 15602
180: ok 15603
180: ok 15604
180: ok 15605
180: ok 15606
180: ok 15607
180: ok 15608
180: ok 15609
180: ok 15610
180: ok 15611
180: ok 15612
180: ok 15613
180: ok 15614
180: ok 15615
180: ok 15616
180: ok 15617
180: ok 15618
180: ok 15619
180: ok 15620
180: ok 15621
180: ok 15622
180: ok 15623
180: ok 15624
180: ok 15625
180: ok 15626
180: ok 15627
180: ok 15628
180: ok 15629
180: ok 15630
180: ok 15631
180: ok 15632
180: ok 15633
180: ok 15634
180: ok 15635
180: ok 15636
180: ok 15637
180: ok 15638
180: ok 15639
180: ok 15640
180: ok 15641
180: ok 15642
180: ok 15643
180: ok 15644
180: ok 15645
180: ok 15646
180: ok 15647
180: ok 15648
180: ok 15649
180: ok 15650
180: ok 15651
180: ok 15652
180: ok 15653
180: ok 15654
180: ok 15655
180: ok 15656
180: ok 15657
180: ok 15658
180: ok 15659
180: ok 15660
180: ok 15661
180: ok 15662
180: ok 15663
180: ok 15664
180: ok 15665
180: ok 15666
180: ok 15667
180: ok 15668
180: ok 15669
180: ok 15670
180: ok 15671
180: ok 15672
180: ok 15673
180: ok 15674
180: ok 15675
180: ok 15676
180: ok 15677
180: ok 15678
180: ok 15679
180: ok 15680
180: ok 15681
180: ok 15682
180: ok 15683
180: ok 15684
180: ok 15685
180: ok 15686
180: ok 15687
180: ok 15688
180: ok 15689
180: ok 15690
180: ok 15691
180: ok 15692
180: ok 15693
180: ok 15694
180: ok 15695
180: ok 15696
180: ok 15697
180: ok 15698
180: ok 15699
180: ok 15700
180: ok 15701
180: ok 15702
180: ok 15703
180: ok 15704
180: ok 15705
180: ok 15706
180: ok 15707
180: ok 15708
180: ok 15709
180: ok 15710
180: ok 15711
180: ok 15712
180: ok 15713
180: ok 15714
180: ok 15715
180: ok 15716
180: ok 15717
180: ok 15718
180: ok 15719
180: ok 15720
180: ok 15721
180: ok 15722
180: ok 15723
180: ok 15724
180: ok 15725
180: ok 15726
180: ok 15727
180: ok 15728
180: ok 15729
180: ok 15730
180: ok 15731
180: ok 15732
180: ok 15733
180: ok 15734
180: ok 15735
180: ok 15736
180: ok 15737
180: ok 15738
180: ok 15739
180: ok 15740
180: ok 15741
180: ok 15742
180: ok 15743
180: ok 15744
180: ok 15745
180: ok 15746
180: ok 15747
180: ok 15748
180: ok 15749
180: ok 15750
180: ok 15751
180: ok 15752
180: ok 15753
180: ok 15754
180: ok 15755
180: ok 15756
180: ok 15757
180: ok 15758
180: ok 15759
180: ok 15760
180: ok 15761
180: ok 15762
180: ok 15763
180: ok 15764
180: ok 15765
180: ok 15766
180: ok 15767
180: ok 15768
180: ok 15769
180: ok 15770
180: ok 15771
180: ok 15772
180: ok 15773
180: ok 15774
180: ok 15775
180: ok 15776
180: ok 15777
180: ok 15778
180: ok 15779
180: ok 15780
180: ok 15781
180: ok 15782
180: ok 15783
180: ok 15784
180: ok 15785
180: ok 15786
180: ok 15787
180: ok 15788
180: ok 15789
180: ok 15790
180: ok 15791
180: ok 15792
180: ok 15793
180: ok 15794
180: ok 15795
180: ok 15796
180: ok 15797
180: ok 15798
180: ok 15799
180: ok 15800
180: ok 15801
180: ok 15802
180: ok 15803
180: ok 15804
180: ok 15805
180: ok 15806
180: ok 15807
180: ok 15808
180: ok 15809
180: ok 15810
180: ok 15811
180: ok 15812
180: ok 15813
180: ok 15814
180: ok 15815
180: ok 15816
180: ok 15817
180: ok 15818
180: ok 15819
180: ok 15820
180: ok 15821
180: ok 15822
180: ok 15823
180: ok 15824
180: ok 15825
180: ok 15826
180: ok 15827
180: ok 15828
180: ok 15829
180: ok 15830
180: ok 15831
180: ok 15832
180: ok 15833
180: ok 15834
180: ok 15835
180: ok 15836
180: ok 15837
180: ok 15838
180: ok 15839
180: ok 15840
180: ok 15841
180: ok 15842
180: ok 15843
180: ok 15844
180: ok 15845
180: ok 15846
180: ok 15847
180: ok 15848
180: ok 15849
180: ok 15850
180: ok 15851
180: ok 15852
180: ok 15853
180: ok 15854
180: ok 15855
180: ok 15856
180: ok 15857
180: ok 15858
180: ok 15859
180: ok 15860
180: ok 15861
180: ok 15862
180: ok 15863
180: ok 15864
180: ok 15865
180: ok 15866
180: ok 15867
180: ok 15868
180: ok 15869
180: ok 15870
180: ok 15871
180: ok 15872
180: ok 15873
180: ok 15874
180: ok 15875
180: ok 15876
180: ok 15877
180: ok 15878
180: ok 15879
180: ok 15880
180: ok 15881
180: ok 15882
180: ok 15883
180: ok 15884
180: ok 15885
180: ok 15886
180: ok 15887
180: ok 15888
180: ok 15889
180: ok 15890
180: ok 15891
180: ok 15892
180: ok 15893
180: ok 15894
180: ok 15895
180: ok 15896
180: ok 15897
180: ok 15898
180: ok 15899
180: ok 15900
180: ok 15901
180: ok 15902
180: ok 15903
180: ok 15904
180: ok 15905
180: ok 15906
180: ok 15907
180: ok 15908
180: ok 15909
180: ok 15910
180: ok 15911
180: ok 15912
180: ok 15913
180: ok 15914
180: ok 15915
180: ok 15916
180: ok 15917
180: ok 15918
180: ok 15919
180: ok 15920
180: ok 15921
180: ok 15922
180: ok 15923
180: ok 15924
180: ok 15925
180: ok 15926
180: ok 15927
180: ok 15928
180: ok 15929
180: ok 15930
180: ok 15931
180: ok 15932
180: ok 15933
180: ok 15934
180: ok 15935
180: ok 15936
180: ok 15937
180: ok 15938
180: ok 15939
180: ok 15940
180: ok 15941
180: ok 15942
180: ok 15943
180: ok 15944
180: ok 15945
180: ok 15946
180: ok 15947
180: ok 15948
180: ok 15949
180: ok 15950
180: ok 15951
180: ok 15952
180: ok 15953
180: ok 15954
180: ok 15955
180: ok 15956
180: ok 15957
180: ok 15958
180: ok 15959
180: ok 15960
180: ok 15961
180: ok 15962
180: ok 15963
180: ok 15964
180: ok 15965
180: ok 15966
180: ok 15967
180: ok 15968
180: ok 15969
180: ok 15970
180: ok 15971
180: ok 15972
180: ok 15973
180: ok 15974
180: ok 15975
180: ok 15976
180: ok 15977
180: ok 15978
180: ok 15979
180: ok 15980
180: ok 15981
180: ok 15982
180: ok 15983
180: ok 15984
180: ok 15985
180: ok 15986
180: ok 15987
180: ok 15988
180: ok 15989
180: ok 15990
180: ok 15991
180: ok 15992
180: ok 15993
180: ok 15994
180: ok 15995
180: ok 15996
180: ok 15997
180: ok 15998
180: ok 15999
180: ok 16000
180: ok 16001
180: ok 16002
180: ok 16003
180: ok 16004
180: ok 16005
180: ok 16006
180: ok 16007
180: ok 16008
180: ok 16009
180: ok 16010
180: ok 16011
180: ok 16012
180: ok 16013
180: ok 16014
180: ok 16015
180: ok 16016
180: ok 16017
180: ok 16018
180: ok 16019
180: ok 16020
180: ok 16021
180: ok 16022
180: ok 16023
180: ok 16024
180: ok 16025
180: ok 16026
180: ok 16027
180: ok 16028
180: ok 16029
180: ok 16030
180: ok 16031
180: ok 16032
180: ok 16033
180: ok 16034
180: ok 16035
180: ok 16036
180: ok 16037
180: ok 16038
180: ok 16039
180: ok 16040
180: ok 16041
180: ok 16042
180: ok 16043
180: ok 16044
180: ok 16045
180: ok 16046
180: ok 16047
180: ok 16048
180: ok 16049
180: ok 16050
180: ok 16051
180: ok 16052
180: ok 16053
180: ok 16054
180: ok 16055
180: ok 16056
180: ok 16057
180: ok 16058
180: ok 16059
180: ok 16060
180: ok 16061
180: ok 16062
180: ok 16063
180: ok 16064
180: ok 16065
180: ok 16066
180: ok 16067
180: ok 16068
180: ok 16069
180: ok 16070
180: ok 16071
180: ok 16072
180: ok 16073
180: ok 16074
180: ok 16075
180: ok 16076
180: ok 16077
180: ok 16078
180: ok 16079
180: ok 16080
180: ok 16081
180: ok 16082
180: ok 16083
180: ok 16084
180: ok 16085
180: ok 16086
180: ok 16087
180: ok 16088
180: ok 16089
180: ok 16090
180: ok 16091
180: ok 16092
180: ok 16093
180: ok 16094
180: ok 16095
180: ok 16096
180: ok 16097
180: ok 16098
180: ok 16099
180: ok 16100
180: ok 16101
180: ok 16102
180: ok 16103
180: ok 16104
180: ok 16105
180: ok 16106
180: ok 16107
180: ok 16108
180: ok 16109
180: ok 16110
180: ok 16111
180: ok 16112
180: ok 16113
180: ok 16114
180: ok 16115
180: ok 16116
180: ok 16117
180: ok 16118
180: ok 16119
180: ok 16120
180: ok 16121
180: ok 16122
180: ok 16123
180: ok 16124
180: ok 16125
180: ok 16126
180: ok 16127
180: ok 16128
180: ok 16129
180: ok 16130
180: ok 16131
180: ok 16132
180: ok 16133
180: ok 16134
180: ok 16135
180: ok 16136
180: ok 16137
180: ok 16138
180: ok 16139
180: ok 16140
180: ok 16141
180: ok 16142
180: ok 16143
180: ok 16144
180: ok 16145
180: ok 16146
180: ok 16147
180: ok 16148
180: ok 16149
180: ok 16150
180: ok 16151
180: ok 16152
180: ok 16153
180: ok 16154
180: ok 16155
180: ok 16156
180: ok 16157
180: ok 16158
180: ok 16159
180: ok 16160
180: ok 16161
180: ok 16162
180: ok 16163
180: ok 16164
180: ok 16165
180: ok 16166
180: ok 16167
180: ok 16168
180: ok 16169
180: ok 16170
180: ok 16171
180: ok 16172
180: ok 16173
180: ok 16174
180: ok 16175
180: ok 16176
180: ok 16177
180: ok 16178
180: ok 16179
180: ok 16180
180: ok 16181
180: ok 16182
180: ok 16183
180: ok 16184
180: ok 16185
180: ok 16186
180: ok 16187
180: ok 16188
180: ok 16189
180: ok 16190
180: ok 16191
180: ok 16192
180: ok 16193
180: ok 16194
180: ok 16195
180: ok 16196
180: ok 16197
180: ok 16198
180: ok 16199
180: ok 16200
180: ok 16201
180: ok 16202
180: ok 16203
180: ok 16204
180: ok 16205
180: ok 16206
180: ok 16207
180: ok 16208
180: ok 16209
180: ok 16210
180: ok 16211
180: ok 16212
180: ok 16213
180: ok 16214
180: ok 16215
180: ok 16216
180: ok 16217
180: ok 16218
180: ok 16219
180: ok 16220
180: ok 16221
180: ok 16222
180: ok 16223
180: ok 16224
180: ok 16225
180: ok 16226
180: ok 16227
180: ok 16228
180: ok 16229
180: ok 16230
180: ok 16231
180: ok 16232
180: ok 16233
180: ok 16234
180: ok 16235
180: ok 16236
180: ok 16237
180: ok 16238
180: ok 16239
180: ok 16240
180: ok 16241
180: ok 16242
180: ok 16243
180: ok 16244
180: ok 16245
180: ok 16246
180: ok 16247
180: ok 16248
180: ok 16249
180: ok 16250
180: ok 16251
180: ok 16252
180: ok 16253
180: ok 16254
180: ok 16255
180: ok 16256
180: ok 16257
180: ok 16258
180: ok 16259
180: ok 16260
180: ok 16261
180: ok 16262
180: ok 16263
180: ok 16264
180: ok 16265
180: ok 16266
180: ok 16267
180: ok 16268
180: ok 16269
180: ok 16270
180: ok 16271
180: ok 16272
180: ok 16273
180: ok 16274
180: ok 16275
180: ok 16276
180: ok 16277
180: ok 16278
180: ok 16279
180: ok 16280
180: ok 16281
180: ok 16282
180: ok 16283
180: ok 16284
180: ok 16285
180: ok 16286
180: ok 16287
180: ok 16288
180: ok 16289
180: ok 16290
180: ok 16291
180: ok 16292
180: ok 16293
180: ok 16294
180: ok 16295
180: ok 16296
180: ok 16297
180: ok 16298
180: ok 16299
180: ok 16300
180: ok 16301
180: ok 16302
180: ok 16303
180: ok 16304
180: ok 16305
180: ok 16306
180: ok 16307
180: ok 16308
180: ok 16309
180: ok 16310
180: ok 16311
180: ok 16312
180: ok 16313
180: ok 16314
180: ok 16315
180: ok 16316
180: ok 16317
180: ok 16318
180: ok 16319
180: ok 16320
180: ok 16321
180: ok 16322
180: ok 16323
180: ok 16324
180: ok 16325
180: ok 16326
180: ok 16327
180: ok 16328
180: ok 16329
180: ok 16330
180: ok 16331
180: ok 16332
180: ok 16333
180: ok 16334
180: ok 16335
180: ok 16336
180: ok 16337
180: ok 16338
180: ok 16339
180: ok 16340
180: ok 16341
180: ok 16342
180: ok 16343
180: ok 16344
180: ok 16345
180: ok 16346
180: ok 16347
180: ok 16348
180: ok 16349
180: ok 16350
180: ok 16351
180: ok 16352
180: ok 16353
180: ok 16354
180: ok 16355
180: ok 16356
180: ok 16357
180: ok 16358
180: ok 16359
180: ok 16360
180: ok 16361
180: ok 16362
180: ok 16363
180: ok 16364
180: ok 16365
180: ok 16366
180: ok 16367
180: ok 16368
180: ok 16369
180: ok 16370
180: ok 16371
180: ok 16372
180: ok 16373
180: ok 16374
180: ok 16375
180: ok 16376
180: ok 16377
180: ok 16378
180: ok 16379
180: ok 16380
180: ok 16381
180: ok 16382
180: ok 16383
180: ok 16384
180: ok 16385
180: ok 16386
180: ok 16387
180: ok 16388
180: ok 16389
180: ok 16390
180: ok 16391
180: ok 16392
180: ok 16393
180: ok 16394
180: ok 16395
180: ok 16396
180: ok 16397
180: ok 16398
180: ok 16399
180: ok 16400
180: ok 16401
180: ok 16402
180: ok 16403
180: ok 16404
180: ok 16405
180: ok 16406
180: ok 16407
180: ok 16408
180: ok 16409
180: ok 16410
180: ok 16411
180: ok 16412
180: ok 16413
180: ok 16414
180: ok 16415
180: ok 16416
180: ok 16417
180: ok 16418
180: ok 16419
180: ok 16420
180: ok 16421
180: ok 16422
180: ok 16423
180: ok 16424
180: ok 16425
180: ok 16426
180: ok 16427
180: ok 16428
180: ok 16429
180: ok 16430
180: ok 16431
180: ok 16432
180: ok 16433
180: ok 16434
180: ok 16435
180: ok 16436
180: ok 16437
180: ok 16438
180: ok 16439
180: ok 16440
180: ok 16441
180: ok 16442
180: ok 16443
180: ok 16444
180: ok 16445
180: ok 16446
180: ok 16447
180: ok 16448
180: ok 16449
180: ok 16450
180: ok 16451
180: ok 16452
180: ok 16453
180: ok 16454
180: ok 16455
180: ok 16456
180: ok 16457
180: ok 16458
180: ok 16459
180: ok 16460
180: ok 16461
180: ok 16462
180: ok 16463
180: ok 16464
180: ok 16465
180: ok 16466
180: ok 16467
180: ok 16468
180: ok 16469
180: ok 16470
180: ok 16471
180: ok 16472
180: ok 16473
180: ok 16474
180: ok 16475
180: ok 16476
180: ok 16477
180: ok 16478
180: ok 16479
180: ok 16480
180: ok 16481
180: ok 16482
180: ok 16483
180: ok 16484
180: ok 16485
180: ok 16486
180: ok 16487
180: ok 16488
180: ok 16489
180: ok 16490
180: ok 16491
180: ok 16492
180: ok 16493
180: ok 16494
180: ok 16495
180: ok 16496
180: ok 16497
180: ok 16498
180: ok 16499
180: ok 16500
180: ok 16501
180: ok 16502
180: ok 16503
180: ok 16504
180: ok 16505
180: ok 16506
180: ok 16507
180: ok 16508
180: ok 16509
180: ok 16510
180: ok 16511
180: ok 16512
180: ok 16513
180: ok 16514
180: ok 16515
180: ok 16516
180: ok 16517
180: ok 16518
180: ok 16519
180: ok 16520
180: ok 16521
180: ok 16522
180: ok 16523
180: ok 16524
180: ok 16525
180: ok 16526
180: ok 16527
180: ok 16528
180: ok 16529
180: ok 16530
180: ok 16531
180: ok 16532
180: ok 16533
180: ok 16534
180: ok 16535
180: ok 16536
180: ok 16537
180: ok 16538
180: ok 16539
180: ok 16540
180: ok 16541
180: ok 16542
180: ok 16543
180: ok 16544
180: ok 16545
180: ok 16546
180: ok 16547
180: ok 16548
180: ok 16549
180: ok 16550
180: ok 16551
180: ok 16552
180: ok 16553
180: ok 16554
180: ok 16555
180: ok 16556
180: ok 16557
180: ok 16558
180: ok 16559
180: ok 16560
180: ok 16561
180: ok 16562
180: ok 16563
180: ok 16564
180: ok 16565
180: ok 16566
180: ok 16567
180: ok 16568
180: ok 16569
180: ok 16570
180: ok 16571
180: ok 16572
180: ok 16573
180: ok 16574
180: ok 16575
180: ok 16576
180: ok 16577
180: ok 16578
180: ok 16579
180: ok 16580
180: ok 16581
180: ok 16582
180: ok 16583
180: ok 16584
180: ok 16585
180: ok 16586
180: ok 16587
180: ok 16588
180: ok 16589
180: ok 16590
180: ok 16591
180: ok 16592
180: ok 16593
180: ok 16594
180: ok 16595
180: ok 16596
180: ok 16597
180: ok 16598
180: ok 16599
180: ok 16600
180: ok 16601
180: ok 16602
180: ok 16603
180: ok 16604
180: ok 16605
180: ok 16606
180: ok 16607
180: ok 16608
180: ok 16609
180: ok 16610
180: ok 16611
180: ok 16612
180: ok 16613
180: ok 16614
180: ok 16615
180: ok 16616
180: ok 16617
180: ok 16618
180: ok 16619
180: ok 16620
180: ok 16621
180: ok 16622
180: ok 16623
180: ok 16624
180: ok 16625
180: ok 16626
180: ok 16627
180: ok 16628
180: ok 16629
180: ok 16630
180: ok 16631
180: ok 16632
180: ok 16633
180: ok 16634
180: ok 16635
180: ok 16636
180: ok 16637
180: ok 16638
180: ok 16639
180: ok 16640
180: ok 16641
180: ok 16642
180: ok 16643
180: ok 16644
180: ok 16645
180: ok 16646
180: ok 16647
180: ok 16648
180: ok 16649
180: ok 16650
180: ok 16651
180: ok 16652
180: ok 16653
180: ok 16654
180: ok 16655
180: ok 16656
180: ok 16657
180: ok 16658
180: ok 16659
180: ok 16660
180: ok 16661
180: ok 16662
180: ok 16663
180: ok 16664
180: ok 16665
180: ok 16666
180: ok 16667
180: ok 16668
180: ok 16669
180: ok 16670
180: ok 16671
180: ok 16672
180: ok 16673
180: ok 16674
180: ok 16675
180: ok 16676
180: ok 16677
180: ok 16678
180: ok 16679
180: ok 16680
180: ok 16681
180: ok 16682
180: ok 16683
180: ok 16684
180: ok 16685
180: ok 16686
180: ok 16687
180: ok 16688
180: ok 16689
180: ok 16690
180: ok 16691
180: ok 16692
180: ok 16693
180: ok 16694
180: ok 16695
180: ok 16696
180: ok 16697
180: ok 16698
180: ok 16699
180: ok 16700
180: ok 16701
180: ok 16702
180: ok 16703
180: ok 16704
180: ok 16705
180: ok 16706
180: ok 16707
180: ok 16708
180: ok 16709
180: ok 16710
180: ok 16711
180: ok 16712
180: ok 16713
180: ok 16714
180: ok 16715
180: ok 16716
180: ok 16717
180: ok 16718
180: ok 16719
180: ok 16720
180: ok 16721
180: ok 16722
180: ok 16723
180: ok 16724
180: ok 16725
180: ok 16726
180: ok 16727
180: ok 16728
180: ok 16729
180: ok 16730
180: ok 16731
180: ok 16732
180: ok 16733
180: ok 16734
180: ok 16735
180: ok 16736
180: ok 16737
180: ok 16738
180: ok 16739
180: ok 16740
180: ok 16741
180: ok 16742
180: ok 16743
180: ok 16744
180: ok 16745
180: ok 16746
180: ok 16747
180: ok 16748
180: ok 16749
180: ok 16750
180: ok 16751
180: ok 16752
180: ok 16753
180: ok 16754
180: ok 16755
180: ok 16756
180: ok 16757
180: ok 16758
180: ok 16759
180: ok 16760
180: ok 16761
180: ok 16762
180: ok 16763
180: ok 16764
180: ok 16765
180: ok 16766
180: ok 16767
180: ok 16768
180: ok 16769
180: ok 16770
180: ok 16771
180: ok 16772
180: ok 16773
180: ok 16774
180: ok 16775
180: ok 16776
180: ok 16777
180: ok 16778
180: ok 16779
180: ok 16780
180: ok 16781
180: ok 16782
180: ok 16783
180: ok 16784
180: ok 16785
180: ok 16786
180: ok 16787
180: ok 16788
180: ok 16789
180: ok 16790
180: ok 16791
180: ok 16792
180: ok 16793
180: ok 16794
180: ok 16795
180: ok 16796
180: ok 16797
180: ok 16798
180: ok 16799
180: ok 16800
180: ok 16801
180: ok 16802
180: ok 16803
180: ok 16804
180: ok 16805
180: ok 16806
180: ok 16807
180: ok 16808
180: ok 16809
180: ok 16810
180: ok 16811
180: ok 16812
180: ok 16813
180: ok 16814
180: ok 16815
180: ok 16816
180: ok 16817
180: ok 16818
180: ok 16819
180: ok 16820
180: ok 16821
180: ok 16822
180: ok 16823
180: ok 16824
180: ok 16825
180: ok 16826
180: ok 16827
180: ok 16828
180: ok 16829
180: ok 16830
180: ok 16831
180: ok 16832
180: ok 16833
180: ok 16834
180: ok 16835
180: ok 16836
180: ok 16837
180: ok 16838
180: ok 16839
180: ok 16840
180: ok 16841
180: ok 16842
180: ok 16843
180: ok 16844
180: ok 16845
180: ok 16846
180: ok 16847
180: ok 16848
180: ok 16849
180: ok 16850
180: ok 16851
180: ok 16852
180: ok 16853
180: ok 16854
180: ok 16855
180: ok 16856
180: ok 16857
180: ok 16858
180: ok 16859
180: ok 16860
180: ok 16861
180: ok 16862
180: ok 16863
180: ok 16864
180: ok 16865
180: ok 16866
180: ok 16867
180: ok 16868
180: ok 16869
180: ok 16870
180: ok 16871
180: ok 16872
180: ok 16873
180: ok 16874
180: ok 16875
180: ok 16876
180: ok 16877
180: ok 16878
180: ok 16879
180: ok 16880
180: ok 16881
180: ok 16882
180: ok 16883
180: ok 16884
180: ok 16885
180: ok 16886
180: ok 16887
180: ok 16888
180: ok 16889
180: ok 16890
180: ok 16891
180: ok 16892
180: ok 16893
180: ok 16894
180: ok 16895
180: ok 16896
180: ok 16897
180: ok 16898
180: ok 16899
180: ok 16900
180: ok 16901
180: ok 16902
180: ok 16903
180: ok 16904
180: ok 16905
180: ok 16906
180: ok 16907
180: ok 16908
180: ok 16909
180: ok 16910
180: ok 16911
180: ok 16912
180: ok 16913
180: ok 16914
180: ok 16915
180: ok 16916
180: ok 16917
180: ok 16918
180: ok 16919
180: ok 16920
180: ok 16921
180: ok 16922
180: ok 16923
180: ok 16924
180: ok 16925
180: ok 16926
180: ok 16927
180: ok 16928
180: ok 16929
180: ok 16930
180: ok 16931
180: ok 16932
180: ok 16933
180: ok 16934
180: ok 16935
180: ok 16936
180: ok 16937
180: ok 16938
180: ok 16939
180: ok 16940
180: ok 16941
180: ok 16942
180: ok 16943
180: ok 16944
180: ok 16945
180: ok 16946
180: ok 16947
180: ok 16948
180: ok 16949
180: ok 16950
180: ok 16951
180: ok 16952
180: ok 16953
180: ok 16954
180: ok 16955
180: ok 16956
180: ok 16957
180: ok 16958
180: ok 16959
180: ok 16960
180: ok 16961
180: ok 16962
180: ok 16963
180: ok 16964
180: ok 16965
180: ok 16966
180: ok 16967
180: ok 16968
180: ok 16969
180: ok 16970
180: ok 16971
180: ok 16972
180: ok 16973
180: ok 16974
180: ok 16975
180: ok 16976
180: ok 16977
180: ok 16978
180: ok 16979
180: ok 16980
180: ok 16981
180: ok 16982
180: ok 16983
180: ok 16984
180: ok 16985
180: ok 16986
180: ok 16987
180: ok 16988
180: ok 16989
180: ok 16990
180: ok 16991
180: ok 16992
180: ok 16993
180: ok 16994
180: ok 16995
180: ok 16996
180: ok 16997
180: ok 16998
180: ok 16999
180: ok 17000
180: ok 17001
180: ok 17002
180: ok 17003
180: ok 17004
180: ok 17005
180: ok 17006
180: ok 17007
180: ok 17008
180: ok 17009
180: ok 17010
180: ok 17011
180: ok 17012
180: ok 17013
180: ok 17014
180: ok 17015
180: ok 17016
180: ok 17017
180: ok 17018
180: ok 17019
180: ok 17020
180: ok 17021
180: ok 17022
180: ok 17023
180: ok 17024
180: ok 17025
180: ok 17026
180: ok 17027
180: ok 17028
180: ok 17029
180: ok 17030
180: ok 17031
180: ok 17032
180: ok 17033
180: ok 17034
180: ok 17035
180: ok 17036
180: ok 17037
180: ok 17038
180: ok 17039
180: ok 17040
180: ok 17041
180: ok 17042
180: ok 17043
180: ok 17044
180: ok 17045
180: ok 17046
180: ok 17047
180: ok 17048
180: ok 17049
180: ok 17050
180: ok 17051
180: ok 17052
180: ok 17053
180: ok 17054
180: ok 17055
180: ok 17056
180: ok 17057
180: ok 17058
180: ok 17059
180: ok 17060
180: ok 17061
180: ok 17062
180: ok 17063
180: ok 17064
180: ok 17065
180: ok 17066
180: ok 17067
180: ok 17068
180: ok 17069
180: ok 17070
180: ok 17071
180: ok 17072
180: ok 17073
180: ok 17074
180: ok 17075
180: ok 17076
180: ok 17077
180: ok 17078
180: ok 17079
180: ok 17080
180: ok 17081
180: ok 17082
180: ok 17083
180: ok 17084
180: ok 17085
180: ok 17086
180: ok 17087
180: ok 17088
180: ok 17089
180: ok 17090
180: ok 17091
180: ok 17092
180: ok 17093
180: ok 17094
180: ok 17095
180: ok 17096
180: ok 17097
180: ok 17098
180: ok 17099
180: ok 17100
180: ok 17101
180: ok 17102
180: ok 17103
180: ok 17104
180: ok 17105
180: ok 17106
180: ok 17107
180: ok 17108
180: ok 17109
180: ok 17110
180: ok 17111
180: ok 17112
180: ok 17113
180: ok 17114
180: ok 17115
180: ok 17116
180: ok 17117
180: ok 17118
180: ok 17119
180: ok 17120
180: ok 17121
180: ok 17122
180: ok 17123
180: ok 17124
180: ok 17125
180: ok 17126
180: ok 17127
180: ok 17128
180: ok 17129
180: ok 17130
180: ok 17131
180: ok 17132
180: ok 17133
180: ok 17134
180: ok 17135
180: ok 17136
180: ok 17137
180: ok 17138
180: ok 17139
180: ok 17140
180: ok 17141
180: ok 17142
180: ok 17143
180: ok 17144
180: ok 17145
180: ok 17146
180: ok 17147
180: ok 17148
180: ok 17149
180: ok 17150
180: ok 17151
180: ok 17152
180: ok 17153
180: ok 17154
180: ok 17155
180: ok 17156
180: ok 17157
180: ok 17158
180: ok 17159
180: ok 17160
180: ok 17161
180: ok 17162
180: ok 17163
180: ok 17164
180: ok 17165
180: ok 17166
180: ok 17167
180: ok 17168
180: ok 17169
180: ok 17170
180: ok 17171
180: ok 17172
180: ok 17173
180: ok 17174
180: ok 17175
180: ok 17176
180: ok 17177
180: ok 17178
180: ok 17179
180: ok 17180
180: ok 17181
180: ok 17182
180: ok 17183
180: ok 17184
180: ok 17185
180: ok 17186
180: ok 17187
180: ok 17188
180: ok 17189
180: ok 17190
180: ok 17191
180: ok 17192
180: ok 17193
180: ok 17194
180: ok 17195
180: ok 17196
180: ok 17197
180: ok 17198
180: ok 17199
180: ok 17200
180: ok 17201
180: ok 17202
180: ok 17203
180: ok 17204
180: ok 17205
180: ok 17206
180: ok 17207
180: ok 17208
180: ok 17209
180: ok 17210
180: ok 17211
180: ok 17212
180: ok 17213
180: ok 17214
180: ok 17215
180: ok 17216
180: ok 17217
180: ok 17218
180: ok 17219
180: ok 17220
180: ok 17221
180: ok 17222
180: ok 17223
180: ok 17224
180: ok 17225
180: ok 17226
180: ok 17227
180: ok 17228
180: ok 17229
180: ok 17230
180: ok 17231
180: ok 17232
180: ok 17233
180: ok 17234
180: ok 17235
180: ok 17236
180: ok 17237
180: ok 17238
180: ok 17239
180: ok 17240
180: ok 17241
180: ok 17242
180: ok 17243
180: ok 17244
180: ok 17245
180: ok 17246
180: ok 17247
180: ok 17248
180: ok 17249
180: ok 17250
180: ok 17251
180: ok 17252
180: ok 17253
180: ok 17254
180: ok 17255
180: ok 17256
180: ok 17257
180: ok 17258
180: ok 17259
180: ok 17260
180: ok 17261
180: ok 17262
180: ok 17263
180: ok 17264
180: ok 17265
180: ok 17266
180: ok 17267
180: ok 17268
180: ok 17269
180: ok 17270
180: ok 17271
180: ok 17272
180: ok 17273
180: ok 17274
180: ok 17275
180: ok 17276
180: ok 17277
180: ok 17278
180: ok 17279
180: ok 17280
180: ok 17281
180: ok 17282
180: ok 17283
180: ok 17284
180: ok 17285
180: ok 17286
180: ok 17287
180: ok 17288
180: ok 17289
180: ok 17290
180: ok 17291
180: ok 17292
180: ok 17293
180: ok 17294
180: ok 17295
180: ok 17296
180: ok 17297
180: ok 17298
180: ok 17299
180: ok 17300
180: ok 17301
180: ok 17302
180: ok 17303
180: ok 17304
180: ok 17305
180: ok 17306
180: ok 17307
180: ok 17308
180: ok 17309
180: ok 17310
180: ok 17311
180: ok 17312
180: ok 17313
180: ok 17314
180: ok 17315
180: ok 17316
180: ok 17317
180: ok 17318
180: ok 17319
180: ok 17320
180: ok 17321
180: ok 17322
180: ok 17323
180: ok 17324
180: ok 17325
180: ok 17326
180: ok 17327
180: ok 17328
180: ok 17329
180: ok 17330
180: ok 17331
180: ok 17332
180: ok 17333
180: ok 17334
180: ok 17335
180: ok 17336
180: ok 17337
180: ok 17338
180: ok 17339
180: ok 17340
180: ok 17341
180: ok 17342
180: ok 17343
180: ok 17344
180: ok 17345
180: ok 17346
180: ok 17347
180: ok 17348
180: ok 17349
180: ok 17350
180: ok 17351
180: ok 17352
180: ok 17353
180: ok 17354
180: ok 17355
180: ok 17356
180: ok 17357
180: ok 17358
180: ok 17359
180: ok 17360
180: ok 17361
180: ok 17362
180: ok 17363
180: ok 17364
180: ok 17365
180: ok 17366
180: ok 17367
180: ok 17368
180: ok 17369
180: ok 17370
180: ok 17371
180: ok 17372
180: ok 17373
180: ok 17374
180: ok 17375
180: ok 17376
180: ok 17377
180: ok 17378
180: ok 17379
180: ok 17380
180: ok 17381
180: ok 17382
180: ok 17383
180: ok 17384
180: ok 17385
180: ok 17386
180: ok 17387
180: ok 17388
180: ok 17389
180: ok 17390
180: ok 17391
180: ok 17392
180: ok 17393
180: ok 17394
180: ok 17395
180: ok 17396
180: ok 17397
180: ok 17398
180: ok 17399
180: ok 17400
180: ok 17401
180: ok 17402
180: ok 17403
180: ok 17404
180: ok 17405
180: ok 17406
180: ok 17407
180: ok 17408
180: ok 17409
180: ok 17410
180: ok 17411
180: ok 17412
180: ok 17413
180: ok 17414
180: ok 17415
180: ok 17416
180: ok 17417
180: ok 17418
180: ok 17419
180: ok 17420
180: ok 17421
180: ok 17422
180: ok 17423
180: ok 17424
180: ok 17425
180: ok 17426
180: ok 17427
180: ok 17428
180: ok 17429
180: ok 17430
180: ok 17431
180: ok 17432
180: ok 17433
180: ok 17434
180: ok 17435
180: ok 17436
180: ok 17437
180: ok 17438
180: ok 17439
180: ok 17440
180: ok 17441
180: ok 17442
180: ok 17443
180: ok 17444
180: ok 17445
180: ok 17446
180: ok 17447
180: ok 17448
180: ok 17449
180: ok 17450
180: ok 17451
180: ok 17452
180: ok 17453
180: ok 17454
180: ok 17455
180: ok 17456
180: ok 17457
180: ok 17458
180: ok 17459
180: ok 17460
180: ok 17461
180: ok 17462
180: ok 17463
180: ok 17464
180: ok 17465
180: ok 17466
180: ok 17467
180: ok 17468
180: ok 17469
180: ok 17470
180: ok 17471
180: ok 17472
180: ok 17473
180: ok 17474
180: ok 17475
180: ok 17476
180: ok 17477
180: ok 17478
180: ok 17479
180: ok 17480
180: ok 17481
180: ok 17482
180: ok 17483
180: ok 17484
180: ok 17485
180: ok 17486
180: ok 17487
180: ok 17488
180: ok 17489
180: ok 17490
180: ok 17491
180: ok 17492
180: ok 17493
180: ok 17494
180: ok 17495
180: ok 17496
180: ok 17497
180: ok 17498
180: ok 17499
180: ok 17500
180: ok 17501
180: ok 17502
180: ok 17503
180: ok 17504
180: ok 17505
180: ok 17506
180: ok 17507
180: ok 17508
180: ok 17509
180: ok 17510
180: ok 17511
180: ok 17512
180: ok 17513
180: ok 17514
180: ok 17515
180: ok 17516
180: ok 17517
180: ok 17518
180: ok 17519
180: ok 17520
180: ok 17521
180: ok 17522
180: ok 17523
180: ok 17524
180: ok 17525
180: ok 17526
180: ok 17527
180: ok 17528
180: ok 17529
180: ok 17530
180: ok 17531
180: ok 17532
180: ok 17533
180: ok 17534
180: ok 17535
180: ok 17536
180: ok 17537
180: ok 17538
180: ok 17539
180: ok 17540
180: ok 17541
180: ok 17542
180: ok 17543
180: ok 17544
180: ok 17545
180: ok 17546
180: ok 17547
180: ok 17548
180: ok 17549
180: ok 17550
180: ok 17551
180: ok 17552
180: ok 17553
180: ok 17554
180: ok 17555
180: ok 17556
180: ok 17557
180: ok 17558
180: ok 17559
180: ok 17560
180: ok 17561
180: ok 17562
180: ok 17563
180: ok 17564
180: ok 17565
180: ok 17566
180: ok 17567
180: ok 17568
180: ok 17569
180: ok 17570
180: ok 17571
180: ok 17572
180: ok 17573
180: ok 17574
180: ok 17575
180: ok 17576
180: ok 17577
180: ok 17578
180: ok 17579
180: ok 17580
180: ok 17581
180: ok 17582
180: ok 17583
180: ok 17584
180: ok 17585
180: ok 17586
180: ok 17587
180: ok 17588
180: ok 17589
180: ok 17590
180: ok 17591
180: ok 17592
180: ok 17593
180: ok 17594
180: ok 17595
180: ok 17596
180: ok 17597
180: ok 17598
180: ok 17599
180: ok 17600
180: ok 17601
180: ok 17602
180: ok 17603
180: ok 17604
180: ok 17605
180: ok 17606
180: ok 17607
180: ok 17608
180: ok 17609
180: ok 17610
180: ok 17611
180: ok 17612
180: ok 17613
180: ok 17614
180: ok 17615
180: ok 17616
180: ok 17617
180: ok 17618
180: ok 17619
180: ok 17620
180: ok 17621
180: ok 17622
180: ok 17623
180: ok 17624
180: ok 17625
180: ok 17626
180: ok 17627
180: ok 17628
180: ok 17629
180: ok 17630
180: ok 17631
180: ok 17632
180: ok 17633
180: ok 17634
180: ok 17635
180: ok 17636
180: ok 17637
180: ok 17638
180: ok 17639
180: ok 17640
180: ok 17641
180: ok 17642
180: ok 17643
180: ok 17644
180: ok 17645
180: ok 17646
180: ok 17647
180: ok 17648
180: ok 17649
180: ok 17650
180: ok 17651
180: ok 17652
180: ok 17653
180: ok 17654
180: ok 17655
180: ok 17656
180: ok 17657
180: ok 17658
180: ok 17659
180: ok 17660
180: ok 17661
180: ok 17662
180: ok 17663
180: ok 17664
180: ok 17665
180: ok 17666
180: ok 17667
180: ok 17668
180: ok 17669
180: ok 17670
180: ok 17671
180: ok 17672
180: ok 17673
180: ok 17674
180: ok 17675
180: ok 17676
180: ok 17677
180: ok 17678
180: ok 17679
180: ok 17680
180: ok 17681
180: ok 17682
180: ok 17683
180: ok 17684
180: ok 17685
180: ok 17686
180: ok 17687
180: ok 17688
180: ok 17689
180: ok 17690
180: ok 17691
180: ok 17692
180: ok 17693
180: ok 17694
180: ok 17695
180: ok 17696
180: ok 17697
180: ok 17698
180: ok 17699
180: ok 17700
180: ok 17701
180: ok 17702
180: ok 17703
180: ok 17704
180: ok 17705
180: ok 17706
180: ok 17707
180: ok 17708
180: ok 17709
180: ok 17710
180: ok 17711
180: ok 17712
180: ok 17713
180: ok 17714
180: ok 17715
180: ok 17716
180: ok 17717
180: ok 17718
180: ok 17719
180: ok 17720
180: ok 17721
180: ok 17722
180: ok 17723
180: ok 17724
180: ok 17725
180: ok 17726
180: ok 17727
180: ok 17728
180: ok 17729
180: ok 17730
180: ok 17731
180: ok 17732
180: ok 17733
180: ok 17734
180: ok 17735
180: ok 17736
180: ok 17737
180: ok 17738
180: ok 17739
180: ok 17740
180: ok 17741
180: ok 17742
180: ok 17743
180: ok 17744
180: ok 17745
180: ok 17746
180: ok 17747
180: ok 17748
180: ok 17749
180: ok 17750
180: ok 17751
180: ok 17752
180: ok 17753
180: ok 17754
180: ok 17755
180: ok 17756
180: ok 17757
180: ok 17758
180: ok 17759
180: ok 17760
180: ok 17761
180: ok 17762
180: ok 17763
180: ok 17764
180: ok 17765
180: ok 17766
180: ok 17767
180: ok 17768
180: ok 17769
180: ok 17770
180: ok 17771
180: ok 17772
180: ok 17773
180: ok 17774
180: ok 17775
180: ok 17776
180: ok 17777
180: ok 17778
180: ok 17779
180: ok 17780
180: ok 17781
180: ok 17782
180: ok 17783
180: ok 17784
180: ok 17785
180: ok 17786
180: ok 17787
180: ok 17788
180: ok 17789
180: ok 17790
180: ok 17791
180: ok 17792
180: ok 17793
180: ok 17794
180: ok 17795
180: ok 17796
180: ok 17797
180: ok 17798
180: ok 17799
180: ok 17800
180: ok 17801
180: ok 17802
180: ok 17803
180: ok 17804
180: ok 17805
180: ok 17806
180: ok 17807
180: ok 17808
180: ok 17809
180: ok 17810
180: ok 17811
180: ok 17812
180: ok 17813
180: ok 17814
180: ok 17815
180: ok 17816
180: ok 17817
180: ok 17818
180: ok 17819
180: ok 17820
180: ok 17821
180: ok 17822
180: ok 17823
180: ok 17824
180: ok 17825
180: ok 17826
180: ok 17827
180: ok 17828
180: ok 17829
180: ok 17830
180: ok 17831
180: ok 17832
180: ok 17833
180: ok 17834
180: ok 17835
180: ok 17836
180: ok 17837
180: ok 17838
180: ok 17839
180: ok 17840
180: ok 17841
180: ok 17842
180: ok 17843
180: ok 17844
180: ok 17845
180: ok 17846
180: ok 17847
180: ok 17848
180: ok 17849
180: ok 17850
180: ok 17851
180: ok 17852
180: ok 17853
180: ok 17854
180: ok 17855
180: ok 17856
180: ok 17857
180: ok 17858
180: ok 17859
180: ok 17860
180: ok 17861
180: ok 17862
180: ok 17863
180: ok 17864
180: ok 17865
180: ok 17866
180: ok 17867
180: ok 17868
180: ok 17869
180: ok 17870
180: ok 17871
180: ok 17872
180: ok 17873
180: ok 17874
180: ok 17875
180: ok 17876
180: ok 17877
180: ok 17878
180: ok 17879
180: ok 17880
180: ok 17881
180: ok 17882
180: ok 17883
180: ok 17884
180: ok 17885
180: ok 17886
180: ok 17887
180: ok 17888
180: ok 17889
180: ok 17890
180: ok 17891
180: ok 17892
180: ok 17893
180: ok 17894
180: ok 17895
180: ok 17896
180: ok 17897
180: ok 17898
180: ok 17899
180: ok 17900
180: ok 17901
180: ok 17902
180: ok 17903
180: ok 17904
180: ok 17905
180: ok 17906
180: ok 17907
180: ok 17908
180: ok 17909
180: ok 17910
180: ok 17911
180: ok 17912
180: ok 17913
180: ok 17914
180: ok 17915
180: ok 17916
180: ok 17917
180: ok 17918
180: ok 17919
180: ok 17920
180: ok 17921
180: ok 17922
180: ok 17923
180: ok 17924
180: ok 17925
180: ok 17926
180: ok 17927
180: ok 17928
180: ok 17929
180: ok 17930
180: ok 17931
180: ok 17932
180: ok 17933
180: ok 17934
180: ok 17935
180: ok 17936
180: ok 17937
180: ok 17938
180: ok 17939
180: ok 17940
180: ok 17941
180: ok 17942
180: ok 17943
180: ok 17944
180: ok 17945
180: ok 17946
180: ok 17947
180: ok 17948
180: ok 17949
180: ok 17950
180: ok 17951
180: ok 17952
180: ok 17953
180: ok 17954
180: ok 17955
180: ok 17956
180: ok 17957
180: ok 17958
180: ok 17959
180: ok 17960
180: ok 17961
180: ok 17962
180: ok 17963
180: ok 17964
180: ok 17965
180: ok 17966
180: ok 17967
180: ok 17968
180: ok 17969
180: ok 17970
180: ok 17971
180: ok 17972
180: ok 17973
180: ok 17974
180: ok 17975
180: ok 17976
180: ok 17977
180: ok 17978
180: ok 17979
180: ok 17980
180: ok 17981
180: ok 17982
180: ok 17983
180: ok 17984
180: ok 17985
180: ok 17986
180: ok 17987
180: ok 17988
180: ok 17989
180: ok 17990
180: ok 17991
180: ok 17992
180: ok 17993
180: ok 17994
180: ok 17995
180: ok 17996
180: ok 17997
180: ok 17998
180: ok 17999
180: ok 18000
180: ok 18001
180: ok 18002
180: ok 18003
180: ok 18004
180: ok 18005
180: ok 18006
180: ok 18007
180: ok 18008
180: ok 18009
180: ok 18010
180: ok 18011
180: ok 18012
180: ok 18013
180: ok 18014
180: ok 18015
180: ok 18016
180: ok 18017
180: ok 18018
180: ok 18019
180: ok 18020
180: ok 18021
180: ok 18022
180: ok 18023
180: ok 18024
180: ok 18025
180: ok 18026
180: ok 18027
180: ok 18028
180: ok 18029
180: ok 18030
180: ok 18031
180: ok 18032
180: ok 18033
180: ok 18034
180: ok 18035
180: ok 18036
180: ok 18037
180: ok 18038
180: ok 18039
180: ok 18040
180: ok 18041
180: ok 18042
180: ok 18043
180: ok 18044
180: ok 18045
180: ok 18046
180: ok 18047
180: ok 18048
180: ok 18049
180: ok 18050
180: ok 18051
180: ok 18052
180: ok 18053
180: ok 18054
180: ok 18055
180: ok 18056
180: ok 18057
180: ok 18058
180: ok 18059
180: ok 18060
180: ok 18061
180: ok 18062
180: ok 18063
180: ok 18064
180: ok 18065
180: ok 18066
180: ok 18067
180: ok 18068
180: ok 18069
180: ok 18070
180: ok 18071
180: ok 18072
180: ok 18073
180: ok 18074
180: ok 18075
180: ok 18076
180: ok 18077
180: ok 18078
180: ok 18079
180: ok 18080
180: ok 18081
180: ok 18082
180: ok 18083
180: ok 18084
180: ok 18085
180: ok 18086
180: ok 18087
180: ok 18088
180: ok 18089
180: ok 18090
180: ok 18091
180: ok 18092
180: ok 18093
180: ok 18094
180: ok 18095
180: ok 18096
180: ok 18097
180: ok 18098
180: ok 18099
180: ok 18100
180: ok 18101
180: ok 18102
180: ok 18103
180: ok 18104
180: ok 18105
180: ok 18106
180: ok 18107
180: ok 18108
180: ok 18109
180: ok 18110
180: ok 18111
180: ok 18112
180: ok 18113
180: ok 18114
180: ok 18115
180: ok 18116
180: ok 18117
180: ok 18118
180: ok 18119
180: ok 18120
180: ok 18121
180: ok 18122
180: ok 18123
180: ok 18124
180: ok 18125
180: ok 18126
180: ok 18127
180: ok 18128
180: ok 18129
180: ok 18130
180: ok 18131
180: ok 18132
180: ok 18133
180: ok 18134
180: ok 18135
180: ok 18136
180: ok 18137
180: ok 18138
180: ok 18139
180: ok 18140
180: ok 18141
180: ok 18142
180: ok 18143
180: ok 18144
180: ok 18145
180: ok 18146
180: ok 18147
180: ok 18148
180: ok 18149
180: ok 18150
180: ok 18151
180: ok 18152
180: ok 18153
180: ok 18154
180: ok 18155
180: ok 18156
180: ok 18157
180: ok 18158
180: ok 18159
180: ok 18160
180: ok 18161
180: ok 18162
180: ok 18163
180: ok 18164
180: ok 18165
180: ok 18166
180: ok 18167
180: ok 18168
180: ok 18169
180: ok 18170
180: ok 18171
180: ok 18172
180: ok 18173
180: ok 18174
180: ok 18175
180: ok 18176
180: ok 18177
180: ok 18178
180: ok 18179
180: ok 18180
180: ok 18181
180: ok 18182
180: ok 18183
180: ok 18184
180: ok 18185
180: ok 18186
180: ok 18187
180: ok 18188
180: ok 18189
180: ok 18190
180: ok 18191
180: ok 18192
180: ok 18193
180: ok 18194
180: ok 18195
180: ok 18196
180: ok 18197
180: ok 18198
180: ok 18199
180: ok 18200
180: ok 18201
180: ok 18202
180: ok 18203
180: ok 18204
180: ok 18205
180: ok 18206
180: ok 18207
180: ok 18208
180: ok 18209
180: ok 18210
180: ok 18211
180: ok 18212
180: ok 18213
180: ok 18214
180: ok 18215
180: ok 18216
180: ok 18217
180: ok 18218
180: ok 18219
180: ok 18220
180: ok 18221
180: ok 18222
180: ok 18223
180: ok 18224
180: ok 18225
180: ok 18226
180: ok 18227
180: ok 18228
180: ok 18229
180: ok 18230
180: ok 18231
180: ok 18232
180: ok 18233
180: ok 18234
180: ok 18235
180: ok 18236
180: ok 18237
180: ok 18238
180: ok 18239
180: ok 18240
180: ok 18241
180: ok 18242
180: ok 18243
180: ok 18244
180: ok 18245
180: ok 18246
180: ok 18247
180: ok 18248
180: ok 18249
180: ok 18250
180: ok 18251
180: ok 18252
180: ok 18253
180: ok 18254
180: ok 18255
180: ok 18256
180: ok 18257
180: ok 18258
180: ok 18259
180: ok 18260
180: ok 18261
180: ok 18262
180: ok 18263
180: ok 18264
180: ok 18265
180: ok 18266
180: ok 18267
180: ok 18268
180: ok 18269
180: ok 18270
180: ok 18271
180: ok 18272
180: ok 18273
180: ok 18274
180: ok 18275
180: ok 18276
180: ok 18277
180: ok 18278
180: ok 18279
180: ok 18280
180: ok 18281
180: ok 18282
180: ok 18283
180: ok 18284
180: ok 18285
180: ok 18286
180: ok 18287
180: ok 18288
180: ok 18289
180: ok 18290
180: ok 18291
180: ok 18292
180: ok 18293
180: ok 18294
180: ok 18295
180: ok 18296
180: ok 18297
180: ok 18298
180: ok 18299
180: ok 18300
180: ok 18301
180: ok 18302
180: ok 18303
180: ok 18304
180: ok 18305
180: ok 18306
180: ok 18307
180: ok 18308
180: ok 18309
180: ok 18310
180: ok 18311
180: ok 18312
180: ok 18313
180: ok 18314
180: ok 18315
180: ok 18316
180: ok 18317
180: ok 18318
180: ok 18319
180: ok 18320
180: ok 18321
180: ok 18322
180: ok 18323
180: ok 18324
180: ok 18325
180: ok 18326
180: ok 18327
180: ok 18328
180: ok 18329
180: ok 18330
180: ok 18331
180: ok 18332
180: ok 18333
180: ok 18334
180: ok 18335
180: ok 18336
180: ok 18337
180: ok 18338
180: ok 18339
180: ok 18340
180: ok 18341
180: ok 18342
180: ok 18343
180: ok 18344
180: ok 18345
180: ok 18346
180: ok 18347
180: ok 18348
180: ok 18349
180: ok 18350
180: ok 18351
180: ok 18352
180: ok 18353
180: ok 18354
180: ok 18355
180: ok 18356
180: ok 18357
180: ok 18358
180: ok 18359
180: ok 18360
180: ok 18361
180: ok 18362
180: ok 18363
180: ok 18364
180: ok 18365
180: ok 18366
180: ok 18367
180: ok 18368
180: ok 18369
180: ok 18370
180: ok 18371
180: ok 18372
180: ok 18373
180: ok 18374
180: ok 18375
180: ok 18376
180: ok 18377
180: ok 18378
180: ok 18379
180: ok 18380
180: ok 18381
180: ok 18382
180: ok 18383
180: ok 18384
180: ok 18385
180: ok 18386
180: ok 18387
180: ok 18388
180: ok 18389
180: ok 18390
180: ok 18391
180: ok 18392
180: ok 18393
180: ok 18394
180: ok 18395
180: ok 18396
180: ok 18397
180: ok 18398
180: ok 18399
180: ok 18400
180: ok 18401
180: ok 18402
180: ok 18403
180: ok 18404
180: ok 18405
180: ok 18406
180: ok 18407
180: ok 18408
180: ok 18409
180: ok 18410
180: ok 18411
180: ok 18412
180: ok 18413
180: ok 18414
180: ok 18415
180: ok 18416
180: ok 18417
180: ok 18418
180: ok 18419
180: ok 18420
180: ok 18421
180: ok 18422
180: ok 18423
180: ok 18424
180: ok 18425
180: ok 18426
180: ok 18427
180: ok 18428
180: ok 18429
180: ok 18430
180: ok 18431
180: ok 18432
180: ok 18433
180: ok 18434
180: ok 18435
180: ok 18436
180: ok 18437
180: ok 18438
180: ok 18439
180: ok 18440
180: ok 18441
180: ok 18442
180: ok 18443
180: ok 18444
180: ok 18445
180: ok 18446
180: ok 18447
180: ok 18448
180: ok 18449
180: ok 18450
180: ok 18451
180: ok 18452
180: ok 18453
180: ok 18454
180: ok 18455
180: ok 18456
180: ok 18457
180: ok 18458
180: ok 18459
180: ok 18460
180: ok 18461
180: ok 18462
180: ok 18463
180: ok 18464
180: ok 18465
180: ok 18466
180: ok 18467
180: ok 18468
180: ok 18469
180: ok 18470
180: ok 18471
180: ok 18472
180: ok 18473
180: ok 18474
180: ok 18475
180: ok 18476
180: ok 18477
180: ok 18478
180: ok 18479
180: ok 18480
180: ok 18481
180: ok 18482
180: ok 18483
180: ok 18484
180: ok 18485
180: ok 18486
180: ok 18487
180: ok 18488
180: ok 18489
180: ok 18490
180: ok 18491
180: ok 18492
180: ok 18493
180: ok 18494
180: ok 18495
180: ok 18496
180: ok 18497
180: ok 18498
180: ok 18499
180: ok 18500
180: ok 18501
180: ok 18502
180: ok 18503
180: ok 18504
180: ok 18505
180: ok 18506
180: ok 18507
180: ok 18508
180: ok 18509
180: ok 18510
180: ok 18511
180: ok 18512
180: ok 18513
180: ok 18514
180: ok 18515
180: ok 18516
180: ok 18517
180: ok 18518
180: ok 18519
180: ok 18520
180: ok 18521
180: ok 18522
180: ok 18523
180: ok 18524
180: ok 18525
180: ok 18526
180: ok 18527
180: ok 18528
180: ok 18529
180: ok 18530
180: ok 18531
180: ok 18532
180: ok 18533
180: ok 18534
180: ok 18535
180: ok 18536
180: ok 18537
180: ok 18538
180: ok 18539
180: ok 18540
180: ok 18541
180: ok 18542
180: ok 18543
180: ok 18544
180: ok 18545
180: ok 18546
180: ok 18547
180: ok 18548
180: ok 18549
180: ok 18550
180: ok 18551
180: ok 18552
180: ok 18553
180: ok 18554
180: ok 18555
180: ok 18556
180: ok 18557
180: ok 18558
180: ok 18559
180: ok 18560
180: ok 18561
180: ok 18562
180: ok 18563
180: ok 18564
180: ok 18565
180: ok 18566
180: ok 18567
180: ok 18568
180: ok 18569
180: ok 18570
180: ok 18571
180: ok 18572
180: ok 18573
180: ok 18574
180: ok 18575
180: ok 18576
180: ok 18577
180: ok 18578
180: ok 18579
180: ok 18580
180: ok 18581
180: ok 18582
180: ok 18583
180: ok 18584
180: ok 18585
180: ok 18586
180: ok 18587
180: ok 18588
180: ok 18589
180: ok 18590
180: ok 18591
180: ok 18592
180: ok 18593
180: ok 18594
180: ok 18595
180: ok 18596
180: ok 18597
180: ok 18598
180: ok 18599
180: ok 18600
180: ok 18601
180: ok 18602
180: ok 18603
180: ok 18604
180: ok 18605
180: ok 18606
180: ok 18607
180: ok 18608
180: ok 18609
180: ok 18610
180: ok 18611
180: ok 18612
180: ok 18613
180: ok 18614
180: ok 18615
180: ok 18616
180: ok 18617
180: ok 18618
180: ok 18619
180: ok 18620
180: ok 18621
180: ok 18622
180: ok 18623
180: ok 18624
180: ok 18625
180: ok 18626
180: ok 18627
180: ok 18628
180: ok 18629
180: ok 18630
180: ok 18631
180: ok 18632
180: ok 18633
180: ok 18634
180: ok 18635
180: ok 18636
180: ok 18637
180: ok 18638
180: ok 18639
180: ok 18640
180: ok 18641
180: ok 18642
180: ok 18643
180: ok 18644
180: ok 18645
180: ok 18646
180: ok 18647
180: ok 18648
180: ok 18649
180: ok 18650
180: ok 18651
180: ok 18652
180: ok 18653
180: ok 18654
180: ok 18655
180: ok 18656
180: ok 18657
180: ok 18658
180: ok 18659
180: ok 18660
180: ok 18661
180: ok 18662
180: ok 18663
180: ok 18664
180: ok 18665
180: ok 18666
180: ok 18667
180: ok 18668
180: ok 18669
180: ok 18670
180: ok 18671
180: ok 18672
180: ok 18673
180: ok 18674
180: ok 18675
180: ok 18676
180: ok 18677
180: ok 18678
180: ok 18679
180: ok 18680
180: ok 18681
180: ok 18682
180: ok 18683
180: ok 18684
180: ok 18685
180: ok 18686
180: ok 18687
180: ok 18688
180: ok 18689
180: ok 18690
180: ok 18691
180: ok 18692
180: ok 18693
180: ok 18694
180: ok 18695
180: ok 18696
180: ok 18697
180: ok 18698
180: ok 18699
180: ok 18700
180: ok 18701
180: ok 18702
180: ok 18703
180: ok 18704
180: ok 18705
180: ok 18706
180: ok 18707
180: ok 18708
180: ok 18709
180: ok 18710
180: ok 18711
180: ok 18712
180: ok 18713
180: ok 18714
180: ok 18715
180: ok 18716
180: ok 18717
180: ok 18718
180: ok 18719
180: ok 18720
180: ok 18721
180: ok 18722
180: ok 18723
180: ok 18724
180: ok 18725
180: ok 18726
180: ok 18727
180: ok 18728
180: ok 18729
180: ok 18730
180: ok 18731
180: ok 18732
180: ok 18733
180: ok 18734
180: ok 18735
180: ok 18736
180: ok 18737
180: ok 18738
180: ok 18739
180: ok 18740
180: ok 18741
180: ok 18742
180: ok 18743
180: ok 18744
180: ok 18745
180: ok 18746
180: ok 18747
180: ok 18748
180: ok 18749
180: ok 18750
180: ok 18751
180: ok 18752
180: ok 18753
180: ok 18754
180: ok 18755
180: ok 18756
180: ok 18757
180: ok 18758
180: ok 18759
180: ok 18760
180: ok 18761
180: ok 18762
180: ok 18763
180: ok 18764
180: ok 18765
180: ok 18766
180: ok 18767
180: ok 18768
180: ok 18769
180: ok 18770
180: ok 18771
180: ok 18772
180: ok 18773
180: ok 18774
180: ok 18775
180: ok 18776
180: ok 18777
180: ok 18778
180: ok 18779
180: ok 18780
180: ok 18781
180: ok 18782
180: ok 18783
180: ok 18784
180: ok 18785
180: ok 18786
180: ok 18787
180: ok 18788
180: ok 18789
180: ok 18790
180: ok 18791
180: ok 18792
180: ok 18793
180: ok 18794
180: ok 18795
180: ok 18796
180: ok 18797
180: ok 18798
180: ok 18799
180: ok 18800
180: ok 18801
180: ok 18802
180: ok 18803
180: ok 18804
180: ok 18805
180: ok 18806
180: ok 18807
180: ok 18808
180: ok 18809
180: ok 18810
180: ok 18811
180: ok 18812
180: ok 18813
180: ok 18814
180: ok 18815
180: ok 18816
180: ok 18817
180: ok 18818
180: ok 18819
180: ok 18820
180: ok 18821
180: ok 18822
180: ok 18823
180: ok 18824
180: ok 18825
180: ok 18826
180: ok 18827
180: ok 18828
180: ok 18829
180: ok 18830
180: ok 18831
180: ok 18832
180: ok 18833
180: ok 18834
180: ok 18835
180: ok 18836
180: ok 18837
180: ok 18838
180: ok 18839
180: ok 18840
180: ok 18841
180: ok 18842
180: ok 18843
180: ok 18844
180: ok 18845
180: ok 18846
180: ok 18847
180: ok 18848
180: ok 18849
180: ok 18850
180: ok 18851
180: ok 18852
180: ok 18853
180: ok 18854
180: ok 18855
180: ok 18856
180: ok 18857
180: ok 18858
180: ok 18859
180: ok 18860
180: ok 18861
180: ok 18862
180: ok 18863
180: ok 18864
180: ok 18865
180: ok 18866
180: ok 18867
180: ok 18868
180: ok 18869
180: ok 18870
180: ok 18871
180: ok 18872
180: ok 18873
180: ok 18874
180: ok 18875
180: ok 18876
180: ok 18877
180: ok 18878
180: ok 18879
180: ok 18880
180: ok 18881
180: ok 18882
180: ok 18883
180: ok 18884
180: ok 18885
180: ok 18886
180: ok 18887
180: ok 18888
180: ok 18889
180: ok 18890
180: ok 18891
180: ok 18892
180: ok 18893
180: ok 18894
180: ok 18895
180: ok 18896
180: ok 18897
180: ok 18898
180: ok 18899
180: ok 18900
180: ok 18901
180: ok 18902
180: ok 18903
180: ok 18904
180: ok 18905
180: ok 18906
180: ok 18907
180: ok 18908
180: ok 18909
180: ok 18910
180: ok 18911
180: ok 18912
180: ok 18913
180: ok 18914
180: ok 18915
180: ok 18916
180: ok 18917
180: ok 18918
180: ok 18919
180: ok 18920
180: ok 18921
180: ok 18922
180: ok 18923
180: ok 18924
180: ok 18925
180: ok 18926
180: ok 18927
180: ok 18928
180: ok 18929
180: ok 18930
180: ok 18931
180: ok 18932
180: ok 18933
180: ok 18934
180: ok 18935
180: ok 18936
180: ok 18937
180: ok 18938
180: ok 18939
180: ok 18940
180: ok 18941
180: ok 18942
180: ok 18943
180: ok 18944
180: ok 18945
180: ok 18946
180: ok 18947
180: ok 18948
180: ok 18949
180: ok 18950
180: ok 18951
180: ok 18952
180: ok 18953
180: ok 18954
180: ok 18955
180: ok 18956
180: ok 18957
180: ok 18958
180: ok 18959
180: ok 18960
180: ok 18961
180: ok 18962
180: ok 18963
180: ok 18964
180: ok 18965
180: ok 18966
180: ok 18967
180: ok 18968
180: ok 18969
180: ok 18970
180: ok 18971
180: ok 18972
180: ok 18973
180: ok 18974
180: ok 18975
180: ok 18976
180: ok 18977
180: ok 18978
180: ok 18979
180: ok 18980
180: ok 18981
180: ok 18982
180: ok 18983
180: ok 18984
180: ok 18985
180: ok 18986
180: ok 18987
180: ok 18988
180: ok 18989
180: ok 18990
180: ok 18991
180: ok 18992
180: ok 18993
180: ok 18994
180: ok 18995
180: ok 18996
180: ok 18997
180: ok 18998
180: ok 18999
180: ok 19000
180: ok 19001
180: ok 19002
180: ok 19003
180: ok 19004
180: ok 19005
180: ok 19006
180: ok 19007
180: ok 19008
180: ok 19009
180: ok 19010
180: ok 19011
180: ok 19012
180: ok 19013
180: ok 19014
180: ok 19015
180: ok 19016
180: ok 19017
180: ok 19018
180: ok 19019
180: ok 19020
180: ok 19021
180: ok 19022
180: ok 19023
180: ok 19024
180: ok 19025
180: ok 19026
180: ok 19027
180: ok 19028
180: ok 19029
180: ok 19030
180: ok 19031
180: ok 19032
180: ok 19033
180: ok 19034
180: ok 19035
180: ok 19036
180: ok 19037
180: ok 19038
180: ok 19039
180: ok 19040
180: ok 19041
180: ok 19042
180: ok 19043
180: ok 19044
180: ok 19045
180: ok 19046
180: ok 19047
180: ok 19048
180: ok 19049
180: ok 19050
180: ok 19051
180: ok 19052
180: ok 19053
180: ok 19054
180: ok 19055
180: ok 19056
180: ok 19057
180: ok 19058
180: ok 19059
180: ok 19060
180: ok 19061
180: ok 19062
180: ok 19063
180: ok 19064
180: ok 19065
180: ok 19066
180: ok 19067
180: ok 19068
180: ok 19069
180: ok 19070
180: ok 19071
180: ok 19072
180: ok 19073
180: ok 19074
180: ok 19075
180: ok 19076
180: ok 19077
180: ok 19078
180: ok 19079
180: ok 19080
180: ok 19081
180: ok 19082
180: ok 19083
180: ok 19084
180: ok 19085
180: ok 19086
180: ok 19087
180: ok 19088
180: ok 19089
180: ok 19090
180: ok 19091
180: ok 19092
180: ok 19093
180: ok 19094
180: ok 19095
180: ok 19096
180: ok 19097
180: ok 19098
180: ok 19099
180: ok 19100
180: ok 19101
180: ok 19102
180: ok 19103
180: ok 19104
180: ok 19105
180: ok 19106
180: ok 19107
180: ok 19108
180: ok 19109
180: ok 19110
180: ok 19111
180: ok 19112
180: ok 19113
180: ok 19114
180: ok 19115
180: ok 19116
180: ok 19117
180: ok 19118
180: ok 19119
180: ok 19120
180: ok 19121
180: ok 19122
180: ok 19123
180: ok 19124
180: ok 19125
180: ok 19126
180: ok 19127
180: ok 19128
180: ok 19129
180: ok 19130
180: ok 19131
180: ok 19132
180: ok 19133
180: ok 19134
180: ok 19135
180: ok 19136
180: ok 19137
180: ok 19138
180: ok 19139
180: ok 19140
180: ok 19141
180: ok 19142
180: ok 19143
180: ok 19144
180: ok 19145
180: ok 19146
180: ok 19147
180: ok 19148
180: ok 19149
180: ok 19150
180: ok 19151
180: ok 19152
180: ok 19153
180: ok 19154
180: ok 19155
180: ok 19156
180: ok 19157
180: ok 19158
180: ok 19159
180: ok 19160
180: ok 19161
180: ok 19162
180: ok 19163
180: ok 19164
180: ok 19165
180: ok 19166
180: ok 19167
180: ok 19168
180: ok 19169
180: ok 19170
180: ok 19171
180: ok 19172
180: ok 19173
180: ok 19174
180: ok 19175
180: ok 19176
180: ok 19177
180: ok 19178
180: ok 19179
180: ok 19180
180: ok 19181
180: ok 19182
180: ok 19183
180: ok 19184
180: ok 19185
180: ok 19186
180: ok 19187
180: ok 19188
180: ok 19189
180: ok 19190
180: ok 19191
180: ok 19192
180: ok 19193
180: ok 19194
180: ok 19195
180: ok 19196
180: ok 19197
180: ok 19198
180: ok 19199
180: ok 19200
180: ok 19201
180: ok 19202
180: ok 19203
180: ok 19204
180: ok 19205
180: ok 19206
180: ok 19207
180: ok 19208
180: ok 19209
180: ok 19210
180: ok 19211
180: ok 19212
180: ok 19213
180: ok 19214
180: ok 19215
180: ok 19216
180: ok 19217
180: ok 19218
180: ok 19219
180: ok 19220
180: ok 19221
180: ok 19222
180: ok 19223
180: ok 19224
180: ok 19225
180: ok 19226
180: ok 19227
180: ok 19228
180: ok 19229
180: ok 19230
180: ok 19231
180: ok 19232
180: ok 19233
180: ok 19234
180: ok 19235
180: ok 19236
180: ok 19237
180: ok 19238
180: ok 19239
180: ok 19240
180: ok 19241
180: ok 19242
180: ok 19243
180: ok 19244
180: ok 19245
180: ok 19246
180: ok 19247
180: ok 19248
180: ok 19249
180: ok 19250
180: ok 19251
180: ok 19252
180: ok 19253
180: ok 19254
180: ok 19255
180: ok 19256
180: ok 19257
180: ok 19258
180: ok 19259
180: ok 19260
180: ok 19261
180: ok 19262
180: ok 19263
180: ok 19264
180: ok 19265
180: ok 19266
180: ok 19267
180: ok 19268
180: ok 19269
180: ok 19270
180: ok 19271
180: ok 19272
180: ok 19273
180: ok 19274
180: ok 19275
180: ok 19276
180: ok 19277
180: ok 19278
180: ok 19279
180: ok 19280
180: ok 19281
180: ok 19282
180: ok 19283
180: ok 19284
180: ok 19285
180: ok 19286
180: ok 19287
180: ok 19288
180: ok 19289
180: ok 19290
180: ok 19291
180: ok 19292
180: ok 19293
180: ok 19294
180: ok 19295
180: ok 19296
180: ok 19297
180: ok 19298
180: ok 19299
180: ok 19300
180: ok 19301
180: ok 19302
180: ok 19303
180: ok 19304
180: ok 19305
180: ok 19306
180: ok 19307
180: ok 19308
180: ok 19309
180: ok 19310
180: ok 19311
180: ok 19312
180: ok 19313
180: ok 19314
180: ok 19315
180: ok 19316
180: ok 19317
180: ok 19318
180: ok 19319
180: ok 19320
180: ok 19321
180: ok 19322
180: ok 19323
180: ok 19324
180: ok 19325
180: ok 19326
180: ok 19327
180: ok 19328
180: ok 19329
180: ok 19330
180: ok 19331
180: ok 19332
180: ok 19333
180: ok 19334
180: ok 19335
180: ok 19336
180: ok 19337
180: ok 19338
180: ok 19339
180: ok 19340
180: ok 19341
180: ok 19342
180: ok 19343
180: ok 19344
180: ok 19345
180: ok 19346
180: ok 19347
180: ok 19348
180: ok 19349
180: ok 19350
180: ok 19351
180: ok 19352
180: ok 19353
180: ok 19354
180: ok 19355
180: ok 19356
180: ok 19357
180: ok 19358
180: ok 19359
180: ok 19360
180: ok 19361
180: ok 19362
180: ok 19363
180: ok 19364
180: ok 19365
180: ok 19366
180: ok 19367
180: ok 19368
180: ok 19369
180: ok 19370
180: ok 19371
180: ok 19372
180: ok 19373
180: ok 19374
180: ok 19375
180: ok 19376
180: ok 19377
180: ok 19378
180: ok 19379
180: ok 19380
180: ok 19381
180: ok 19382
180: ok 19383
180: ok 19384
180: ok 19385
180: ok 19386
180: ok 19387
180: ok 19388
180: ok 19389
180: ok 19390
180: ok 19391
180: ok 19392
180: ok 19393
180: ok 19394
180: ok 19395
180: ok 19396
180: ok 19397
180: ok 19398
180: ok 19399
180: ok 19400
180: ok 19401
180: ok 19402
180: ok 19403
180: ok 19404
180: ok 19405
180: ok 19406
180: ok 19407
180: ok 19408
180: ok 19409
180: ok 19410
180: ok 19411
180: ok 19412
180: ok 19413
180: ok 19414
180: ok 19415
180: ok 19416
180: ok 19417
180: ok 19418
180: ok 19419
180: ok 19420
180: ok 19421
180: ok 19422
180: ok 19423
180: ok 19424
180: ok 19425
180: ok 19426
180: ok 19427
180: ok 19428
180: ok 19429
180: ok 19430
180: ok 19431
180: ok 19432
180: ok 19433
180: ok 19434
180: ok 19435
180: ok 19436
180: ok 19437
180: ok 19438
180: ok 19439
180: ok 19440
180: ok 19441
180: ok 19442
180: ok 19443
180: ok 19444
180: ok 19445
180: ok 19446
180: ok 19447
180: ok 19448
180: ok 19449
180: ok 19450
180: ok 19451
180: ok 19452
180: ok 19453
180: ok 19454
180: ok 19455
180: ok 19456
180: ok 19457
180: ok 19458
180: ok 19459
180: ok 19460
180: ok 19461
180: ok 19462
180: ok 19463
180: ok 19464
180: ok 19465
180: ok 19466
180: ok 19467
180: ok 19468
180: ok 19469
180: ok 19470
180: ok 19471
180: ok 19472
180: ok 19473
180: ok 19474
180: ok 19475
180: ok 19476
180: ok 19477
180: ok 19478
180: ok 19479
180: ok 19480
180: ok 19481
180: ok 19482
180: ok 19483
180: ok 19484
180: ok 19485
180: ok 19486
180: ok 19487
180: ok 19488
180: ok 19489
180: ok 19490
180: ok 19491
180: ok 19492
180: ok 19493
180: ok 19494
180: ok 19495
180: ok 19496
180: ok 19497
180: ok 19498
180: ok 19499
180: ok 19500
180: ok 19501
180: ok 19502
180: ok 19503
180: ok 19504
180: ok 19505
180: ok 19506
180: ok 19507
180: ok 19508
180: ok 19509
180: ok 19510
180: ok 19511
180: ok 19512
180: ok 19513
180: ok 19514
180: ok 19515
180: ok 19516
180: ok 19517
180: ok 19518
180: ok 19519
180: ok 19520
180: ok 19521
180: ok 19522
180: ok 19523
180: ok 19524
180: ok 19525
180: ok 19526
180: ok 19527
180: ok 19528
180: ok 19529
180: ok 19530
180: ok 19531
180: ok 19532
180: ok 19533
180: ok 19534
180: ok 19535
180: ok 19536
180: ok 19537
180: ok 19538
180: ok 19539
180: ok 19540
180: ok 19541
180: ok 19542
180: ok 19543
180: ok 19544
180: ok 19545
180: ok 19546
180: ok 19547
180: ok 19548
180: ok 19549
180: ok 19550
180: ok 19551
180: ok 19552
180: ok 19553
180: ok 19554
180: ok 19555
180: ok 19556
180: ok 19557
180: ok 19558
180: ok 19559
180: ok 19560
180: ok 19561
180: ok 19562
180: ok 19563
180: ok 19564
180: ok 19565
180: ok 19566
180: ok 19567
180: ok 19568
180: ok 19569
180: ok 19570
180: ok 19571
180: ok 19572
180: ok 19573
180: ok 19574
180: ok 19575
180: ok 19576
180: ok 19577
180: ok 19578
180: ok 19579
180: ok 19580
180: ok 19581
180: ok 19582
180: ok 19583
180: ok 19584
180: ok 19585
180: ok 19586
180: ok 19587
180: ok 19588
180: ok 19589
180: ok 19590
180: ok 19591
180: ok 19592
180: ok 19593
180: ok 19594
180: ok 19595
180: ok 19596
180: ok 19597
180: ok 19598
180: ok 19599
180: ok 19600
180: ok 19601
180: ok 19602
180: ok 19603
180: ok 19604
180: ok 19605
180: ok 19606
180: ok 19607
180: ok 19608
180: ok 19609
180: ok 19610
180: ok 19611
180: ok 19612
180: ok 19613
180: ok 19614
180: ok 19615
180: ok 19616
180: ok 19617
180: ok 19618
180: ok 19619
180: ok 19620
180: ok 19621
180: ok 19622
180: ok 19623
180: ok 19624
180: ok 19625
180: ok 19626
180: ok 19627
180: ok 19628
180: ok 19629
180: ok 19630
180: ok 19631
180: ok 19632
180: ok 19633
180: ok 19634
180: ok 19635
180: ok 19636
180: ok 19637
180: ok 19638
180: ok 19639
180: ok 19640
180: ok 19641
180: ok 19642
180: ok 19643
180: ok 19644
180: ok 19645
180: ok 19646
180: ok 19647
180: ok 19648
180: ok 19649
180: ok 19650
180: ok 19651
180: ok 19652
180: ok 19653
180: ok 19654
180: ok 19655
180: ok 19656
180: ok 19657
180: ok 19658
180: ok 19659
180: ok 19660
180: ok 19661
180: ok 19662
180: ok 19663
180: ok 19664
180: ok 19665
180: ok 19666
180: ok 19667
180: ok 19668
180: ok 19669
180: ok 19670
180: ok 19671
180: ok 19672
180: ok 19673
180: ok 19674
180: ok 19675
180: ok 19676
180: ok 19677
180: ok 19678
180: ok 19679
180: ok 19680
180: ok 19681
180: ok 19682
180: ok 19683
180: ok 19684
180: ok 19685
180: ok 19686
180: ok 19687
180: ok 19688
180: ok 19689
180: ok 19690
180: ok 19691
180: ok 19692
180: ok 19693
180: ok 19694
180: ok 19695
180: ok 19696
180: ok 19697
180: ok 19698
180: ok 19699
180: ok 19700
180: ok 19701
180: ok 19702
180: ok 19703
180: ok 19704
180: ok 19705
180: ok 19706
180: ok 19707
180: ok 19708
180: ok 19709
180: ok 19710
180: ok 19711
180: ok 19712
180: ok 19713
180: ok 19714
180: ok 19715
180: ok 19716
180: ok 19717
180: ok 19718
180: ok 19719
180: ok 19720
180: ok 19721
180: ok 19722
180: ok 19723
180: ok 19724
180: ok 19725
180: ok 19726
180: ok 19727
180: ok 19728
180: ok 19729
180: ok 19730
180: ok 19731
180: ok 19732
180: ok 19733
180: ok 19734
180: ok 19735
180: ok 19736
180: ok 19737
180: ok 19738
180: ok 19739
180: ok 19740
180: ok 19741
180: ok 19742
180: ok 19743
180: ok 19744
180: ok 19745
180: ok 19746
180: ok 19747
180: ok 19748
180: ok 19749
180: ok 19750
180: ok 19751
180: ok 19752
180: ok 19753
180: ok 19754
180: ok 19755
180: ok 19756
180: ok 19757
180: ok 19758
180: ok 19759
180: ok 19760
180: ok 19761
180: ok 19762
180: ok 19763
180: ok 19764
180: ok 19765
180: ok 19766
180: ok 19767
180: ok 19768
180: ok 19769
180: ok 19770
180: ok 19771
180: ok 19772
180: ok 19773
180: ok 19774
180: ok 19775
180: ok 19776
180: ok 19777
180: ok 19778
180: ok 19779
180: ok 19780
180: ok 19781
180: ok 19782
180: ok 19783
180: ok 19784
180: ok 19785
180: ok 19786
180: ok 19787
180: ok 19788
180: ok 19789
180: ok 19790
180: ok 19791
180: ok 19792
180: ok 19793
180: ok 19794
180: ok 19795
180: ok 19796
180: ok 19797
180: ok 19798
180: ok 19799
180: ok 19800
180: ok 19801
180: ok 19802
180: ok 19803
180: ok 19804
180: ok 19805
180: ok 19806
180: ok 19807
180: ok 19808
180: ok 19809
180: ok 19810
180: ok 19811
180: ok 19812
180: ok 19813
180: ok 19814
180: ok 19815
180: ok 19816
180: ok 19817
180: ok 19818
180: ok 19819
180: ok 19820
180: ok 19821
180: ok 19822
180: ok 19823
180: ok 19824
180: ok 19825
180: ok 19826
180: ok 19827
180: ok 19828
180: ok 19829
180: ok 19830
180: ok 19831
180: ok 19832
180: ok 19833
180: ok 19834
180: ok 19835
180: ok 19836
180: ok 19837
180: ok 19838
180: ok 19839
180: ok 19840
180: ok 19841
180: ok 19842
180: ok 19843
180: ok 19844
180: ok 19845
180: ok 19846
180: ok 19847
180: ok 19848
180: ok 19849
180: ok 19850
180: ok 19851
180: ok 19852
180: ok 19853
180: ok 19854
180: ok 19855
180: ok 19856
180: ok 19857
180: ok 19858
180: ok 19859
180: ok 19860
180: ok 19861
180: ok 19862
180: ok 19863
180: ok 19864
180: ok 19865
180: ok 19866
180: ok 19867
180: ok 19868
180: ok 19869
180: ok 19870
180: ok 19871
180: ok 19872
180: ok 19873
180: ok 19874
180: ok 19875
180: ok 19876
180: ok 19877
180: ok 19878
180: ok 19879
180: ok 19880
180: ok 19881
180: ok 19882
180: ok 19883
180: ok 19884
180: ok 19885
180: ok 19886
180: ok 19887
180: ok 19888
180: ok 19889
180: ok 19890
180: ok 19891
180: ok 19892
180: ok 19893
180: ok 19894
180: ok 19895
180: ok 19896
180: ok 19897
180: ok 19898
180: ok 19899
180: ok 19900
180: ok 19901
180: ok 19902
180: ok 19903
180: ok 19904
180: ok 19905
180: ok 19906
180: ok 19907
180: ok 19908
180: ok 19909
180: ok 19910
180: ok 19911
180: ok 19912
180: ok 19913
180: ok 19914
180: ok 19915
180: ok 19916
180: ok 19917
180: ok 19918
180: ok 19919
180: ok 19920
180: ok 19921
180: ok 19922
180: ok 19923
180: ok 19924
180: ok 19925
180: ok 19926
180: ok 19927
180: ok 19928
180: ok 19929
180: ok 19930
180: ok 19931
180: ok 19932
180: ok 19933
180: ok 19934
180: ok 19935
180: ok 19936
180: ok 19937
180: ok 19938
180: ok 19939
180: ok 19940
180: ok 19941
180: ok 19942
180: ok 19943
180: ok 19944
180: ok 19945
180: ok 19946
180: ok 19947
180: ok 19948
180: ok 19949
180: ok 19950
180: ok 19951
180: ok 19952
180: ok 19953
180: ok 19954
180: ok 19955
180: ok 19956
180: ok 19957
180: ok 19958
180: ok 19959
180: ok 19960
180: ok 19961
180: ok 19962
180: ok 19963
180: ok 19964
180: ok 19965
180: ok 19966
180: ok 19967
180: ok 19968
180: ok 19969
180: ok 19970
180: ok 19971
180: ok 19972
180: ok 19973
180: ok 19974
180: ok 19975
180: ok 19976
180: ok 19977
180: ok 19978
180: ok 19979
180: ok 19980
180: ok 19981
180: ok 19982
180: ok 19983
180: ok 19984
180: ok 19985
180: ok 19986
180: ok 19987
180: ok 19988
180: ok 19989
180: ok 19990
180: ok 19991
180: ok 19992
180: ok 19993
180: ok 19994
180: ok 19995
180: ok 19996
180: ok 19997
180: ok 19998
180: ok 19999
180: ok 20000
180: ok 20001
180: ok 20002
180: ok 20003
180: ok 20004
180: ok 20005
180: ok 20006
180: ok 20007
180: ok 20008
180: ok 20009
180: ok 20010
180: ok 20011
180: ok 20012
180: ok 20013
180: ok 20014
180: ok 20015
180: ok 20016
180: ok 20017
180: ok 20018
180: ok 20019
180: ok 20020
180: ok 20021
180: ok 20022
180: ok 20023
180: ok 20024
180: ok 20025
180: ok 20026
180: ok 20027
180: ok 20028
180: ok 20029
180: ok 20030
180: ok 20031
180: ok 20032
180: ok 20033
180: ok 20034
180: ok 20035
180: ok 20036
180: ok 20037
180: ok 20038
180: ok 20039
180: ok 20040
180: ok 20041
180: ok 20042
180: ok 20043
180: ok 20044
180: ok 20045
180: ok 20046
180: ok 20047
180: ok 20048
180: ok 20049
180: ok 20050
180: ok 20051
180: ok 20052
180: ok 20053
180: ok 20054
180: ok 20055
180: ok 20056
180: ok 20057
180: ok 20058
180: ok 20059
180: ok 20060
180: ok 20061
180: ok 20062
180: ok 20063
180: ok 20064
180: ok 20065
180: ok 20066
180: ok 20067
180: ok 20068
180: ok 20069
180: ok 20070
180: ok 20071
180: ok 20072
180: ok 20073
180: ok 20074
180: ok 20075
180: ok 20076
180: ok 20077
180: ok 20078
180: ok 20079
180: ok 20080
180: ok 20081
180: ok 20082
180: ok 20083
180: ok 20084
180: ok 20085
180: ok 20086
180: ok 20087
180: ok 20088
180: ok 20089
180: ok 20090
180: ok 20091
180: ok 20092
180: ok 20093
180: ok 20094
180: ok 20095
180: ok 20096
180: ok 20097
180: ok 20098
180: ok 20099
180: ok 20100
180: ok 20101
180: ok 20102
180: ok 20103
180: ok 20104
180: ok 20105
180: ok 20106
180: ok 20107
180: ok 20108
180: ok 20109
180: ok 20110
180: ok 20111
180: ok 20112
180: ok 20113
180: ok 20114
180: ok 20115
180: ok 20116
180: ok 20117
180: ok 20118
180: ok 20119
180: ok 20120
180: ok 20121
180: ok 20122
180: ok 20123
180: ok 20124
180: ok 20125
180: ok 20126
180: ok 20127
180: ok 20128
180: ok 20129
180: ok 20130
180: ok 20131
180: ok 20132
180: ok 20133
180: ok 20134
180: ok 20135
180: ok 20136
180: ok 20137
180: ok 20138
180: ok 20139
180: ok 20140
180: ok 20141
180: ok 20142
180: ok 20143
180: ok 20144
180: ok 20145
180: ok 20146
180: ok 20147
180: ok 20148
180: ok 20149
180: ok 20150
180: ok 20151
180: ok 20152
180: ok 20153
180: ok 20154
180: ok 20155
180: ok 20156
180: ok 20157
180: ok 20158
180: ok 20159
180: ok 20160
180: ok 20161
180: ok 20162
180: ok 20163
180: ok 20164
180: ok 20165
180: ok 20166
180: ok 20167
180: ok 20168
180: ok 20169
180: ok 20170
180: ok 20171
180: ok 20172
180: ok 20173
180: ok 20174
180: ok 20175
180: ok 20176
180: ok 20177
180: ok 20178
180: ok 20179
180: ok 20180
180: ok 20181
180: ok 20182
180: ok 20183
180: ok 20184
180: ok 20185
180: ok 20186
180: ok 20187
180: ok 20188
180: ok 20189
180: ok 20190
180: ok 20191
180: ok 20192
180: ok 20193
180: ok 20194
180: ok 20195
180: ok 20196
180: ok 20197
180: ok 20198
180: ok 20199
180: ok 20200
180: ok 20201
180: ok 20202
180: ok 20203
180: ok 20204
180: ok 20205
180: ok 20206
180: ok 20207
180: ok 20208
180: ok 20209
180: ok 20210
180: ok 20211
180: ok 20212
180: ok 20213
180: ok 20214
180: ok 20215
180: ok 20216
180: ok 20217
180: ok 20218
180: ok 20219
180: ok 20220
180: ok 20221
180: ok 20222
180: ok 20223
180: ok 20224
180: ok 20225
180: ok 20226
180: ok 20227
180: ok 20228
180: ok 20229
180: ok 20230
180: ok 20231
180: ok 20232
180: ok 20233
180: ok 20234
180: ok 20235
180: ok 20236
180: ok 20237
180: ok 20238
180: ok 20239
180: ok 20240
180: ok 20241
180: ok 20242
180: ok 20243
180: ok 20244
180: ok 20245
180: ok 20246
180: ok 20247
180: ok 20248
180: ok 20249
180: ok 20250
180: ok 20251
180: ok 20252
180: ok 20253
180: ok 20254
180: ok 20255
180: ok 20256
180: ok 20257
180: ok 20258
180: ok 20259
180: ok 20260
180: ok 20261
180: ok 20262
180: ok 20263
180: ok 20264
180: ok 20265
180: ok 20266
180: ok 20267
180: ok 20268
180: ok 20269
180: ok 20270
180: ok 20271
180: ok 20272
180: ok 20273
180: ok 20274
180: ok 20275
180: ok 20276
180: ok 20277
180: ok 20278
180: ok 20279
180: ok 20280
180: ok 20281
180: ok 20282
180: ok 20283
180: ok 20284
180: ok 20285
180: ok 20286
180: ok 20287
180: ok 20288
180: ok 20289
180: ok 20290
180: ok 20291
180: ok 20292
180: ok 20293
180: ok 20294
180: ok 20295
180: ok 20296
180: ok 20297
180: ok 20298
180: ok 20299
180: ok 20300
180: ok 20301
180: ok 20302
180: ok 20303
180: ok 20304
180: ok 20305
180: ok 20306
180: ok 20307
180: ok 20308
180: ok 20309
180: ok 20310
180: ok 20311
180: ok 20312
180: ok 20313
180: ok 20314
180: ok 20315
180: ok 20316
180: ok 20317
180: ok 20318
180: ok 20319
180: ok 20320
180: ok 20321
180: ok 20322
180: ok 20323
180: ok 20324
180: ok 20325
180: ok 20326
180: ok 20327
180: ok 20328
180: ok 20329
180: ok 20330
180: ok 20331
180: ok 20332
180: ok 20333
180: ok 20334
180: ok 20335
180: ok 20336
180: ok 20337
180: ok 20338
180: ok 20339
180: ok 20340
180: ok 20341
180: ok 20342
180: ok 20343
180: ok 20344
180: ok 20345
180: ok 20346
180: ok 20347
180: ok 20348
180: ok 20349
180: ok 20350
180: ok 20351
180: ok 20352
180: ok 20353
180: ok 20354
180: ok 20355
180: ok 20356
180: ok 20357
180: ok 20358
180: ok 20359
180: ok 20360
180: ok 20361
180: ok 20362
180: ok 20363
180: ok 20364
180: ok 20365
180: ok 20366
180: ok 20367
180: ok 20368
180: ok 20369
180: ok 20370
180: ok 20371
180: ok 20372
180: ok 20373
180: ok 20374
180: ok 20375
180: ok 20376
180: ok 20377
180: ok 20378
180: ok 20379
180: ok 20380
180: ok 20381
180: ok 20382
180: ok 20383
180: ok 20384
180: ok 20385
180: ok 20386
180: ok 20387
180: ok 20388
180: ok 20389
180: ok 20390
180: ok 20391
180: ok 20392
180: ok 20393
180: ok 20394
180: ok 20395
180: ok 20396
180: ok 20397
180: ok 20398
180: ok 20399
180: ok 20400
180: ok 20401
180: ok 20402
180: ok 20403
180: ok 20404
180: ok 20405
180: ok 20406
180: ok 20407
180: ok 20408
180: ok 20409
180: ok 20410
180: ok 20411
180: ok 20412
180: ok 20413
180: ok 20414
180: ok 20415
180: ok 20416
180: ok 20417
180: ok 20418
180: ok 20419
180: ok 20420
180: ok 20421
180: ok 20422
180: ok 20423
180: ok 20424
180: ok 20425
180: ok 20426
180: ok 20427
180: ok 20428
180: ok 20429
180: ok 20430
180: ok 20431
180: ok 20432
180: ok 20433
180: ok 20434
180: ok 20435
180: ok 20436
180: ok 20437
180: ok 20438
180: ok 20439
180: ok 20440
180: ok 20441
180: ok 20442
180: ok 20443
180: ok 20444
180: ok 20445
180: ok 20446
180: ok 20447
180: ok 20448
180: ok 20449
180: ok 20450
180: ok 20451
180: ok 20452
180: ok 20453
180: ok 20454
180: ok 20455
180: ok 20456
180: ok 20457
180: ok 20458
180: ok 20459
180: ok 20460
180: ok 20461
180: ok 20462
180: ok 20463
180: ok 20464
180: ok 20465
180: ok 20466
180: ok 20467
180: ok 20468
180: ok 20469
180: ok 20470
180: ok 20471
180: ok 20472
180: ok 20473
180: ok 20474
180: ok 20475
180: ok 20476
180: ok 20477
180: ok 20478
180: ok 20479
180: ok 20480
180: ok 20481
180: ok 20482
180: ok 20483
180: ok 20484
180: ok 20485
180: ok 20486
180: ok 20487
180: ok 20488
180: ok 20489
180: ok 20490
180: ok 20491
180: ok 20492
180: ok 20493
180: ok 20494
180: ok 20495
180: ok 20496
180: ok 20497
180: ok 20498
180: ok 20499
180: ok 20500
180: ok 20501
180: ok 20502
180: ok 20503
180: ok 20504
180: ok 20505
180: ok 20506
180: ok 20507
180: ok 20508
180: ok 20509
180: ok 20510
180: ok 20511
180: ok 20512
180: ok 20513
180: ok 20514
180: ok 20515
180: ok 20516
180: ok 20517
180: ok 20518
180: ok 20519
180: ok 20520
180: ok 20521
180: ok 20522
180: ok 20523
180: ok 20524
180: ok 20525
180: ok 20526
180: ok 20527
180: ok 20528
180: ok 20529
180: ok 20530
180: ok 20531
180: ok 20532
180: ok 20533
180: ok 20534
180: ok 20535
180: ok 20536
180: ok 20537
180: ok 20538
180: ok 20539
180: ok 20540
180: ok 20541
180: ok 20542
180: ok 20543
180: ok 20544
180: ok 20545
180: ok 20546
180: ok 20547
180: ok 20548
180: ok 20549
180: ok 20550
180: ok 20551
180: ok 20552
180: ok 20553
180: ok 20554
180: ok 20555
180: ok 20556
180: ok 20557
180: ok 20558
180: ok 20559
180: ok 20560
180: ok 20561
180: ok 20562
180: ok 20563
180: ok 20564
180: ok 20565
180: ok 20566
180: ok 20567
180: ok 20568
180: ok 20569
180: ok 20570
180: ok 20571
180: ok 20572
180: ok 20573
180: ok 20574
180: ok 20575
180: ok 20576
180: ok 20577
180: ok 20578
180: ok 20579
180: ok 20580
180: ok 20581
180: ok 20582
180: ok 20583
180: ok 20584
180: ok 20585
180: ok 20586
180: ok 20587
180: ok 20588
180: ok 20589
180: ok 20590
180: ok 20591
180: ok 20592
180: ok 20593
180: ok 20594
180: ok 20595
180: ok 20596
180: ok 20597
180: ok 20598
180: ok 20599
180: ok 20600
180: ok 20601
180: ok 20602
180: ok 20603
180: ok 20604
180: ok 20605
180: ok 20606
180: ok 20607
180: ok 20608
180: ok 20609
180: ok 20610
180: ok 20611
180: ok 20612
180: ok 20613
180: ok 20614
180: ok 20615
180: ok 20616
180: ok 20617
180: ok 20618
180: ok 20619
180: ok 20620
180: ok 20621
180: ok 20622
180: ok 20623
180: ok 20624
180: ok 20625
180: ok 20626
180: ok 20627
180: ok 20628
180: ok 20629
180: ok 20630
180: ok 20631
180: ok 20632
180: ok 20633
180: ok 20634
180: ok 20635
180: ok 20636
180: ok 20637
180: ok 20638
180: ok 20639
180: ok 20640
180: ok 20641
180: ok 20642
180: ok 20643
180: ok 20644
180: ok 20645
180: ok 20646
180: ok 20647
180: ok 20648
180: ok 20649
180: ok 20650
180: ok 20651
180: ok 20652
180: ok 20653
180: ok 20654
180: ok 20655
180: ok 20656
180: ok 20657
180: ok 20658
180: ok 20659
180: ok 20660
180: ok 20661
180: ok 20662
180: ok 20663
180: ok 20664
180: ok 20665
180: ok 20666
180: ok 20667
180: ok 20668
180: ok 20669
180: ok 20670
180: ok 20671
180: ok 20672
180: ok 20673
180: ok 20674
180: ok 20675
180: ok 20676
180: ok 20677
180: ok 20678
180: ok 20679
180: ok 20680
180: ok 20681
180: ok 20682
180: ok 20683
180: ok 20684
180: ok 20685
180: ok 20686
180: ok 20687
180: ok 20688
180: ok 20689
180: ok 20690
180: ok 20691
180: ok 20692
180: ok 20693
180: ok 20694
180: ok 20695
180: ok 20696
180: ok 20697
180: ok 20698
180: ok 20699
180: ok 20700
180: ok 20701
180: ok 20702
180: ok 20703
180: ok 20704
180: ok 20705
180: ok 20706
180: ok 20707
180: ok 20708
180: ok 20709
180: ok 20710
180: ok 20711
180: ok 20712
180: ok 20713
180: ok 20714
180: ok 20715
180: ok 20716
180: ok 20717
180: ok 20718
180: ok 20719
180: ok 20720
180: ok 20721
180: ok 20722
180: ok 20723
180: ok 20724
180: ok 20725
180: ok 20726
180: ok 20727
180: ok 20728
180: ok 20729
180: ok 20730
180: ok 20731
180: ok 20732
180: ok 20733
180: ok 20734
180: ok 20735
180: ok 20736
180: ok 20737
180: ok 20738
180: ok 20739
180: ok 20740
180: ok 20741
180: ok 20742
180: ok 20743
180: ok 20744
180: ok 20745
180: ok 20746
180: ok 20747
180: ok 20748
180: ok 20749
180: ok 20750
180: ok 20751
180: ok 20752
180: ok 20753
180: ok 20754
180: ok 20755
180: ok 20756
180: ok 20757
180: ok 20758
180: ok 20759
180: ok 20760
180: ok 20761
180: ok 20762
180: ok 20763
180: ok 20764
180: ok 20765
180: ok 20766
180: ok 20767
180: ok 20768
180: ok 20769
180: ok 20770
180: ok 20771
180: ok 20772
180: ok 20773
180: ok 20774
180: ok 20775
180: ok 20776
180: ok 20777
180: ok 20778
180: ok 20779
180: ok 20780
180: ok 20781
180: ok 20782
180: ok 20783
180: ok 20784
180: ok 20785
180: ok 20786
180: ok 20787
180: ok 20788
180: ok 20789
180: ok 20790
180: ok 20791
180: ok 20792
180: ok 20793
180: ok 20794
180: ok 20795
180: ok 20796
180: ok 20797
180: ok 20798
180: ok 20799
180: ok 20800
180: ok 20801
180: ok 20802
180: ok 20803
180: ok 20804
180: ok 20805
180: ok 20806
180: ok 20807
180: ok 20808
180: ok 20809
180: ok 20810
180: ok 20811
180: ok 20812
180: ok 20813
180: ok 20814
180: ok 20815
180: ok 20816
180: ok 20817
180: ok 20818
180: ok 20819
180: ok 20820
180: ok 20821
180: ok 20822
180: ok 20823
180: ok 20824
180: ok 20825
180: ok 20826
180: ok 20827
180: ok 20828
180: ok 20829
180: ok 20830
180: ok 20831
180: ok 20832
180: ok 20833
180: ok 20834
180: ok 20835
180: ok 20836
180: ok 20837
180: ok 20838
180: ok 20839
180: ok 20840
180: ok 20841
180: ok 20842
180: ok 20843
180: ok 20844
180: ok 20845
180: ok 20846
180: ok 20847
180: ok 20848
180: ok 20849
180: ok 20850
180: ok 20851
180: ok 20852
180: ok 20853
180: ok 20854
180: ok 20855
180: ok 20856
180: ok 20857
180: ok 20858
180: ok 20859
180: ok 20860
180: ok 20861
180: ok 20862
180: ok 20863
180: ok 20864
180: ok 20865
180: ok 20866
180: ok 20867
180: ok 20868
180: ok 20869
180: ok 20870
180: ok 20871
180: ok 20872
180: ok 20873
180: ok 20874
180: ok 20875
180: ok 20876
180: ok 20877
180: ok 20878
180: ok 20879
180: ok 20880
180: ok 20881
180: ok 20882
180: ok 20883
180: ok 20884
180: ok 20885
180: ok 20886
180: ok 20887
180: ok 20888
180: ok 20889
180: ok 20890
180: ok 20891
180: ok 20892
180: ok 20893
180: ok 20894
180: ok 20895
180: ok 20896
180: ok 20897
180: ok 20898
180: ok 20899
180: ok 20900
180: ok 20901
180: ok 20902
180: ok 20903
180: ok 20904
180: ok 20905
180: ok 20906
180: ok 20907
180: ok 20908
180: ok 20909
180: ok 20910
180: ok 20911
180: ok 20912
180: ok 20913
180: ok 20914
180: ok 20915
180: ok 20916
180: ok 20917
180: ok 20918
180: ok 20919
180: ok 20920
180: ok 20921
180: ok 20922
180: ok 20923
180: ok 20924
180: ok 20925
180: ok 20926
180: ok 20927
180: ok 20928
180: ok 20929
180: ok 20930
180: ok 20931
180: ok 20932
180: ok 20933
180: ok 20934
180: ok 20935
180: ok 20936
180: ok 20937
180: ok 20938
180: ok 20939
180: ok 20940
180: ok 20941
180: ok 20942
180: ok 20943
180: ok 20944
180: ok 20945
180: ok 20946
180: ok 20947
180: ok 20948
180: ok 20949
180: ok 20950
180: ok 20951
180: ok 20952
180: ok 20953
180: ok 20954
180: ok 20955
180: ok 20956
180: ok 20957
180: ok 20958
180: ok 20959
180: ok 20960
180: ok 20961
180: ok 20962
180: ok 20963
180: ok 20964
180: ok 20965
180: ok 20966
180: ok 20967
180: ok 20968
180: ok 20969
180: ok 20970
180: ok 20971
180: ok 20972
180: ok 20973
180: ok 20974
180: ok 20975
180: ok 20976
180: ok 20977
180: ok 20978
180: ok 20979
180: ok 20980
180: ok 20981
180: ok 20982
180: ok 20983
180: ok 20984
180: ok 20985
180: ok 20986
180: ok 20987
180: ok 20988
180: ok 20989
180: ok 20990
180: ok 20991
180: ok 20992
180: ok 20993
180: ok 20994
180: ok 20995
180: ok 20996
180: ok 20997
180: ok 20998
180: ok 20999
180: ok 21000
180: ok 21001
180: ok 21002
180: ok 21003
180: ok 21004
180: ok 21005
180: ok 21006
180: ok 21007
180: ok 21008
180: ok 21009
180: ok 21010
180: ok 21011
180: ok 21012
180: ok 21013
180: ok 21014
180: ok 21015
180: ok 21016
180: ok 21017
180: ok 21018
180: ok 21019
180: ok 21020
180: ok 21021
180: ok 21022
180: ok 21023
180: ok 21024
180: ok 21025
180: ok 21026
180: ok 21027
180: ok 21028
180: ok 21029
180: ok 21030
180: ok 21031
180: ok 21032
180: ok 21033
180: ok 21034
180: ok 21035
180: ok 21036
180: ok 21037
180: ok 21038
180: ok 21039
180: ok 21040
180: ok 21041
180: ok 21042
180: ok 21043
180: ok 21044
180: ok 21045
180: ok 21046
180: ok 21047
180: ok 21048
180: ok 21049
180: ok 21050
180: ok 21051
180: ok 21052
180: ok 21053
180: ok 21054
180: ok 21055
180: ok 21056
180: ok 21057
180: ok 21058
180: ok 21059
180: ok 21060
180: ok 21061
180: ok 21062
180: ok 21063
180: ok 21064
180: ok 21065
180: ok 21066
180: ok 21067
180: ok 21068
180: ok 21069
180: ok 21070
180: ok 21071
180: ok 21072
180: ok 21073
180: ok 21074
180: ok 21075
180: ok 21076
180: ok 21077
180: ok 21078
180: ok 21079
180: ok 21080
180: ok 21081
180: ok 21082
180: ok 21083
180: ok 21084
180: ok 21085
180: ok 21086
180: ok 21087
180: ok 21088
180: ok 21089
180: ok 21090
180: ok 21091
180: ok 21092
180: ok 21093
180: ok 21094
180: ok 21095
180: ok 21096
180: ok 21097
180: ok 21098
180: ok 21099
180: ok 21100
180: ok 21101
180: ok 21102
180: ok 21103
180: ok 21104
180: ok 21105
180: ok 21106
180: ok 21107
180: ok 21108
180: ok 21109
180: ok 21110
180: ok 21111
180: ok 21112
180: ok 21113
180: ok 21114
180: ok 21115
180: ok 21116
180: ok 21117
180: ok 21118
180: ok 21119
180: ok 21120
180: ok 21121
180: ok 21122
180: ok 21123
180: ok 21124
180: ok 21125
180: ok 21126
180: ok 21127
180: ok 21128
180: ok 21129
180: ok 21130
180: ok 21131
180: ok 21132
180: ok 21133
180: ok 21134
180: ok 21135
180: ok 21136
180: ok 21137
180: ok 21138
180: ok 21139
180: ok 21140
180: ok 21141
180: ok 21142
180: ok 21143
180: ok 21144
180: ok 21145
180: ok 21146
180: ok 21147
180: ok 21148
180: ok 21149
180: ok 21150
180: ok 21151
180: ok 21152
180: ok 21153
180: ok 21154
180: ok 21155
180: ok 21156
180: ok 21157
180: ok 21158
180: ok 21159
180: ok 21160
180: ok 21161
180: ok 21162
180: ok 21163
180: ok 21164
180: ok 21165
180: ok 21166
180: ok 21167
180: ok 21168
180: ok 21169
180: ok 21170
180: ok 21171
180: ok 21172
180: ok 21173
180: ok 21174
180: ok 21175
180: ok 21176
180: ok 21177
180: ok 21178
180: ok 21179
180: ok 21180
180: ok 21181
180: ok 21182
180: ok 21183
180: ok 21184
180: ok 21185
180: ok 21186
180: ok 21187
180: ok 21188
180: ok 21189
180: ok 21190
180: ok 21191
180: ok 21192
180: ok 21193
180: ok 21194
180: ok 21195
180: ok 21196
180: ok 21197
180: ok 21198
180: ok 21199
180: ok 21200
180: ok 21201
180: ok 21202
180: ok 21203
180: ok 21204
180: ok 21205
180: ok 21206
180: ok 21207
180: ok 21208
180: ok 21209
180: ok 21210
180: ok 21211
180: ok 21212
180: ok 21213
180: ok 21214
180: ok 21215
180: ok 21216
180: ok 21217
180: ok 21218
180: ok 21219
180: ok 21220
180: ok 21221
180: ok 21222
180: ok 21223
180: ok 21224
180: ok 21225
180: ok 21226
180: ok 21227
180: ok 21228
180: ok 21229
180: ok 21230
180: ok 21231
180: ok 21232
180: ok 21233
180: ok 21234
180: ok 21235
180: ok 21236
180: ok 21237
180: ok 21238
180: ok 21239
180: ok 21240
180: ok 21241
180: ok 21242
180: ok 21243
180: ok 21244
180: ok 21245
180: ok 21246
180: ok 21247
180: ok 21248
180: ok 21249
180: ok 21250
180: ok 21251
180: ok 21252
180: ok 21253
180: ok 21254
180: ok 21255
180: ok 21256
180: ok 21257
180: ok 21258
180: ok 21259
180: ok 21260
180: ok 21261
180: ok 21262
180: ok 21263
180: ok 21264
180: ok 21265
180: ok 21266
180: ok 21267
180: ok 21268
180: ok 21269
180: ok 21270
180: ok 21271
180: ok 21272
180: ok 21273
180: ok 21274
180: ok 21275
180: ok 21276
180: ok 21277
180: ok 21278
180: ok 21279
180: ok 21280
180: ok 21281
180: ok 21282
180: ok 21283
180: ok 21284
180: ok 21285
180: ok 21286
180: ok 21287
180: ok 21288
180: ok 21289
180: ok 21290
180: ok 21291
180: ok 21292
180: ok 21293
180: ok 21294
180: ok 21295
180: ok 21296
180: ok 21297
180: ok 21298
180: ok 21299
180: ok 21300
180: ok 21301
180: ok 21302
180: ok 21303
180: ok 21304
180: ok 21305
180: ok 21306
180: ok 21307
180: ok 21308
180: ok 21309
180: ok 21310
180: ok 21311
180: ok 21312
180: ok 21313
180: ok 21314
180: ok 21315
180: ok 21316
180: ok 21317
180: ok 21318
180: ok 21319
180: ok 21320
180: ok 21321
180: ok 21322
180: ok 21323
180: ok 21324
180: ok 21325
180: ok 21326
180: ok 21327
180: ok 21328
180: ok 21329
180: ok 21330
180: ok 21331
180: ok 21332
180: ok 21333
180: ok 21334
180: ok 21335
180: ok 21336
180: ok 21337
180: ok 21338
180: ok 21339
180: ok 21340
180: ok 21341
180: ok 21342
180: ok 21343
180: ok 21344
180: ok 21345
180: ok 21346
180: ok 21347
180: ok 21348
180: ok 21349
180: ok 21350
180: ok 21351
180: ok 21352
180: ok 21353
180: ok 21354
180: ok 21355
180: ok 21356
180: ok 21357
180: ok 21358
180: ok 21359
180: ok 21360
180: ok 21361
180: ok 21362
180: ok 21363
180: ok 21364
180: ok 21365
180: ok 21366
180: ok 21367
180: ok 21368
180: ok 21369
180: ok 21370
180: ok 21371
180: ok 21372
180: ok 21373
180: ok 21374
180: ok 21375
180: ok 21376
180: ok 21377
180: ok 21378
180: ok 21379
180: ok 21380
180: ok 21381
180: ok 21382
180: ok 21383
180: ok 21384
180: ok 21385
180: ok 21386
180: ok 21387
180: ok 21388
180: ok 21389
180: ok 21390
180: ok 21391
180: ok 21392
180: ok 21393
180: ok 21394
180: ok 21395
180: ok 21396
180: ok 21397
180: ok 21398
180: ok 21399
180: ok 21400
180: ok 21401
180: ok 21402
180: ok 21403
180: ok 21404
180: ok 21405
180: ok 21406
180: ok 21407
180: ok 21408
180: ok 21409
180: ok 21410
180: ok 21411
180: ok 21412
180: ok 21413
180: ok 21414
180: ok 21415
180: ok 21416
180: ok 21417
180: ok 21418
180: ok 21419
180: ok 21420
180: ok 21421
180: ok 21422
180: ok 21423
180: ok 21424
180: ok 21425
180: ok 21426
180: ok 21427
180: ok 21428
180: ok 21429
180: ok 21430
180: ok 21431
180: ok 21432
180: ok 21433
180: ok 21434
180: ok 21435
180: ok 21436
180: ok 21437
180: ok 21438
180: ok 21439
180: ok 21440
180: ok 21441
180: ok 21442
180: ok 21443
180: ok 21444
180: ok 21445
180: ok 21446
180: ok 21447
180: ok 21448
180: ok 21449
180: ok 21450
180: ok 21451
180: ok 21452
180: ok 21453
180: ok 21454
180: ok 21455
180: ok 21456
180: ok 21457
180: ok 21458
180: ok 21459
180: ok 21460
180: ok 21461
180: ok 21462
180: ok 21463
180: ok 21464
180: ok 21465
180: ok 21466
180: ok 21467
180: ok 21468
180: ok 21469
180: ok 21470
180: ok 21471
180: ok 21472
180: ok 21473
180: ok 21474
180: ok 21475
180: ok 21476
180: ok 21477
180: ok 21478
180: ok 21479
180: ok 21480
180: ok 21481
180: ok 21482
180: ok 21483
180: ok 21484
180: ok 21485
180: ok 21486
180: ok 21487
180: ok 21488
180: ok 21489
180: ok 21490
180: ok 21491
180: ok 21492
180: ok 21493
180: ok 21494
180: ok 21495
180: ok 21496
180: ok 21497
180: ok 21498
180: ok 21499
180: ok 21500
180: ok 21501
180: ok 21502
180: ok 21503
180: ok 21504
180: ok 21505
180: ok 21506
180: ok 21507
180: ok 21508
180: ok 21509
180: ok 21510
180: ok 21511
180: ok 21512
180: ok 21513
180: ok 21514
180: ok 21515
180: ok 21516
180: ok 21517
180: ok 21518
180: ok 21519
180: ok 21520
180: ok 21521
180: ok 21522
180: ok 21523
180: ok 21524
180: ok 21525
180: ok 21526
180: ok 21527
180: ok 21528
180: ok 21529
180: ok 21530
180: ok 21531
180: ok 21532
180: ok 21533
180: ok 21534
180: ok 21535
180: ok 21536
180: ok 21537
180: ok 21538
180: ok 21539
180: ok 21540
180: ok 21541
180: ok 21542
180: ok 21543
180: ok 21544
180: ok 21545
180: ok 21546
180: ok 21547
180: ok 21548
180: ok 21549
180: ok 21550
180: ok 21551
180: ok 21552
180: ok 21553
180: ok 21554
180: ok 21555
180: ok 21556
180: ok 21557
180: ok 21558
180: ok 21559
180: ok 21560
180: ok 21561
180: ok 21562
180: ok 21563
180: ok 21564
180: ok 21565
180: ok 21566
180: ok 21567
180: ok 21568
180: ok 21569
180: ok 21570
180: ok 21571
180: ok 21572
180: ok 21573
180: ok 21574
180: ok 21575
180: ok 21576
180: ok 21577
180: ok 21578
180: ok 21579
180: ok 21580
180: ok 21581
180: ok 21582
180: ok 21583
180: ok 21584
180: ok 21585
180: ok 21586
180: ok 21587
180: ok 21588
180: ok 21589
180: ok 21590
180: ok 21591
180: ok 21592
180: ok 21593
180: ok 21594
180: ok 21595
180: ok 21596
180: ok 21597
180: ok 21598
180: ok 21599
180: ok 21600
180: ok 21601
180: ok 21602
180: ok 21603
180: ok 21604
180: ok 21605
180: ok 21606
180: ok 21607
180: ok 21608
180: ok 21609
180: ok 21610
180: ok 21611
180: ok 21612
180: ok 21613
180: ok 21614
180: ok 21615
180: ok 21616
180: ok 21617
180: ok 21618
180: ok 21619
180: ok 21620
180: ok 21621
180: ok 21622
180: ok 21623
180: ok 21624
180: ok 21625
180: ok 21626
180: ok 21627
180: ok 21628
180: ok 21629
180: ok 21630
180: ok 21631
180: ok 21632
180: ok 21633
180: ok 21634
180: ok 21635
180: ok 21636
180: ok 21637
180: ok 21638
180: ok 21639
180: ok 21640
180: ok 21641
180: ok 21642
180: ok 21643
180: ok 21644
180: ok 21645
180: ok 21646
180: ok 21647
180: ok 21648
180: ok 21649
180: ok 21650
180: ok 21651
180: ok 21652
180: ok 21653
180: ok 21654
180: ok 21655
180: ok 21656
180: ok 21657
180: ok 21658
180: ok 21659
180: ok 21660
180: ok 21661
180: ok 21662
180: ok 21663
180: ok 21664
180: ok 21665
180: ok 21666
180: ok 21667
180: ok 21668
180: ok 21669
180: ok 21670
180: ok 21671
180: ok 21672
180: ok 21673
180: ok 21674
180: ok 21675
180: ok 21676
180: ok 21677
180: ok 21678
180: ok 21679
180: ok 21680
180: ok 21681
180: ok 21682
180: ok 21683
180: ok 21684
180: ok 21685
180: ok 21686
180: ok 21687
180: ok 21688
180: ok 21689
180: ok 21690
180: ok 21691
180: ok 21692
180: ok 21693
180: ok 21694
180: ok 21695
180: ok 21696
180: ok 21697
180: ok 21698
180: ok 21699
180: ok 21700
180: ok 21701
180: ok 21702
180: ok 21703
180: ok 21704
180: ok 21705
180: ok 21706
180: ok 21707
180: ok 21708
180: ok 21709
180: ok 21710
180: ok 21711
180: ok 21712
180: ok 21713
180: ok 21714
180: ok 21715
180: ok 21716
180: ok 21717
180: ok 21718
180: ok 21719
180: ok 21720
180: ok 21721
180: ok 21722
180: ok 21723
180: ok 21724
180: ok 21725
180: ok 21726
180: ok 21727
180: ok 21728
180: ok 21729
180: ok 21730
180: ok 21731
180: ok 21732
180: ok 21733
180: ok 21734
180: ok 21735
180: ok 21736
180: ok 21737
180: ok 21738
180: ok 21739
180: ok 21740
180: ok 21741
180: ok 21742
180: ok 21743
180: ok 21744
180: ok 21745
180: ok 21746
180: ok 21747
180: ok 21748
180: ok 21749
180: ok 21750
180: ok 21751
180: ok 21752
180: ok 21753
180: ok 21754
180: ok 21755
180: ok 21756
180: ok 21757
180: ok 21758
180: ok 21759
180: ok 21760
180: ok 21761
180: ok 21762
180: ok 21763
180: ok 21764
180: ok 21765
180: ok 21766
180: ok 21767
180: ok 21768
180: ok 21769
180: ok 21770
180: ok 21771
180: ok 21772
180: ok 21773
180: ok 21774
180: ok 21775
180: ok 21776
180: ok 21777
180: ok 21778
180: ok 21779
180: ok 21780
180: ok 21781
180: ok 21782
180: ok 21783
180: ok 21784
180: ok 21785
180: ok 21786
180: ok 21787
180: ok 21788
180: ok 21789
180: ok 21790
180: ok 21791
180: ok 21792
180: ok 21793
180: ok 21794
180: ok 21795
180: ok 21796
180: ok 21797
180: ok 21798
180: ok 21799
180: ok 21800
180: ok 21801
180: ok 21802
180: ok 21803
180: ok 21804
180: ok 21805
180: ok 21806
180: ok 21807
180: ok 21808
180: ok 21809
180: ok 21810
180: ok 21811
180: ok 21812
180: ok 21813
180: ok 21814
180: ok 21815
180: ok 21816
180: ok 21817
180: ok 21818
180: ok 21819
180: ok 21820
180: ok 21821
180: ok 21822
180: ok 21823
180: ok 21824
180: ok 21825
180: ok 21826
180: ok 21827
180: ok 21828
180: ok 21829
180: ok 21830
180: ok 21831
180: ok 21832
180: ok 21833
180: ok 21834
180: ok 21835
180: ok 21836
180: ok 21837
180: ok 21838
180: ok 21839
180: ok 21840
180: ok 21841
180: ok 21842
180: ok 21843
180: ok 21844
180: ok 21845
180: ok 21846
180: ok 21847
180: ok 21848
180: ok 21849
180: ok 21850
180: ok 21851
180: ok 21852
180: ok 21853
180: ok 21854
180: ok 21855
180: ok 21856
180: ok 21857
180: ok 21858
180: ok 21859
180: ok 21860
180: ok 21861
180: ok 21862
180: ok 21863
180: ok 21864
180: ok 21865
180: ok 21866
180: ok 21867
180: ok 21868
180: ok 21869
180: ok 21870
180: ok 21871
180: ok 21872
180: ok 21873
180: ok 21874
180: ok 21875
180: ok 21876
180: ok 21877
180: ok 21878
180: ok 21879
180: ok 21880
180: ok 21881
180: ok 21882
180: ok 21883
180: ok 21884
180: ok 21885
180: ok 21886
180: ok 21887
180: ok 21888
180: ok 21889
180: ok 21890
180: ok 21891
180: ok 21892
180: ok 21893
180: ok 21894
180: ok 21895
180: ok 21896
180: ok 21897
180: ok 21898
180: ok 21899
180: ok 21900
180: ok 21901
180: ok 21902
180: ok 21903
180: ok 21904
180: ok 21905
180: ok 21906
180: ok 21907
180: ok 21908
180: ok 21909
180: ok 21910
180: ok 21911
180: ok 21912
180: ok 21913
180: ok 21914
180: ok 21915
180: ok 21916
180: ok 21917
180: ok 21918
180: ok 21919
180: ok 21920
180: ok 21921
180: ok 21922
180: ok 21923
180: ok 21924
180: ok 21925
180: ok 21926
180: ok 21927
180: ok 21928
180: ok 21929
180: ok 21930
180: ok 21931
180: ok 21932
180: ok 21933
180: ok 21934
180: ok 21935
180: ok 21936
180: ok 21937
180: ok 21938
180: ok 21939
180: ok 21940
180: ok 21941
180: ok 21942
180: ok 21943
180: ok 21944
180: ok 21945
180: ok 21946
180: ok 21947
180: ok 21948
180: ok 21949
180: ok 21950
180: ok 21951
180: ok 21952
180: ok 21953
180: ok 21954
180: ok 21955
180: ok 21956
180: ok 21957
180: ok 21958
180: ok 21959
180: ok 21960
180: ok 21961
180: ok 21962
180: ok 21963
180: ok 21964
180: ok 21965
180: ok 21966
180: ok 21967
180: ok 21968
180: ok 21969
180: ok 21970
180: ok 21971
180: ok 21972
180: ok 21973
180: ok 21974
180: ok 21975
180: ok 21976
180: ok 21977
180: ok 21978
180: ok 21979
180: ok 21980
180: ok 21981
180: ok 21982
180: ok 21983
180: ok 21984
180: ok 21985
180: ok 21986
180: ok 21987
180: ok 21988
180: ok 21989
180: ok 21990
180: ok 21991
180: ok 21992
180: ok 21993
180: ok 21994
180: ok 21995
180: ok 21996
180: ok 21997
180: ok 21998
180: ok 21999
180: ok 22000
180: ok 22001
180: ok 22002
180: ok 22003
180: ok 22004
180: ok 22005
180: ok 22006
180: ok 22007
180: ok 22008
180: ok 22009
180: ok 22010
180: ok 22011
180: ok 22012
180: ok 22013
180: ok 22014
180: ok 22015
180: ok 22016
180: ok 22017
180: ok 22018
180: ok 22019
180: ok 22020
180: ok 22021
180: ok 22022
180: ok 22023
180: ok 22024
180: ok 22025
180: ok 22026
180: ok 22027
180: ok 22028
180: ok 22029
180: ok 22030
180: ok 22031
180: ok 22032
180: ok 22033
180: ok 22034
180: ok 22035
180: ok 22036
180: ok 22037
180: ok 22038
180: ok 22039
180: ok 22040
180: ok 22041
180: ok 22042
180: ok 22043
180: ok 22044
180: ok 22045
180: ok 22046
180: ok 22047
180: ok 22048
180: ok 22049
180: ok 22050
180: ok 22051
180: ok 22052
180: ok 22053
180: ok 22054
180: ok 22055
180: ok 22056
180: ok 22057
180: ok 22058
180: ok 22059
180: ok 22060
180: ok 22061
180: ok 22062
180: ok 22063
180: ok 22064
180: ok 22065
180: ok 22066
180: ok 22067
180: ok 22068
180: ok 22069
180: ok 22070
180: ok 22071
180: ok 22072
180: ok 22073
180: ok 22074
180: ok 22075
180: ok 22076
180: ok 22077
180: ok 22078
180: ok 22079
180: ok 22080
180: ok 22081
180: ok 22082
180: ok 22083
180: ok 22084
180: ok 22085
180: ok 22086
180: ok 22087
180: ok 22088
180: ok 22089
180: ok 22090
180: ok 22091
180: ok 22092
180: ok 22093
180: ok 22094
180: ok 22095
180: ok 22096
180: ok 22097
180: ok 22098
180: ok 22099
180: ok 22100
180: ok 22101
180: ok 22102
180: ok 22103
180: ok 22104
180: ok 22105
180: ok 22106
180: ok 22107
180: ok 22108
180: ok 22109
180: ok 22110
180: ok 22111
180: ok 22112
180: ok 22113
180: ok 22114
180: ok 22115
180: ok 22116
180: ok 22117
180: ok 22118
180: ok 22119
180: ok 22120
180: ok 22121
180: ok 22122
180: ok 22123
180: ok 22124
180: ok 22125
180: ok 22126
180: ok 22127
180: ok 22128
180: ok 22129
180: ok 22130
180: ok 22131
180: ok 22132
180: ok 22133
180: ok 22134
180: ok 22135
180: ok 22136
180: ok 22137
180: ok 22138
180: ok 22139
180: ok 22140
180: ok 22141
180: ok 22142
180: ok 22143
180: ok 22144
180: ok 22145
180: ok 22146
180: ok 22147
180: ok 22148
180: ok 22149
180: ok 22150
180: ok 22151
180: ok 22152
180: ok 22153
180: ok 22154
180: ok 22155
180: ok 22156
180: ok 22157
180: ok 22158
180: ok 22159
180: ok 22160
180: ok 22161
180: ok 22162
180: ok 22163
180: ok 22164
180: ok 22165
180: ok 22166
180: ok 22167
180: ok 22168
180: ok 22169
180: ok 22170
180: ok 22171
180: ok 22172
180: ok 22173
180: ok 22174
180: ok 22175
180: ok 22176
180: ok 22177
180: ok 22178
180: ok 22179
180: ok 22180
180: ok 22181
180: ok 22182
180: ok 22183
180: ok 22184
180: ok 22185
180: ok 22186
180: ok 22187
180: ok 22188
180: ok 22189
180: ok 22190
180: ok 22191
180: ok 22192
180: ok 22193
180: ok 22194
180: ok 22195
180: ok 22196
180: ok 22197
180: ok 22198
180: ok 22199
180: ok 22200
180: ok 22201
180: ok 22202
180: ok 22203
180: ok 22204
180: ok 22205
180: ok 22206
180: ok 22207
180: ok 22208
180: ok 22209
180: ok 22210
180: ok 22211
180: ok 22212
180: ok 22213
180: ok 22214
180: ok 22215
180: ok 22216
180: ok 22217
180: ok 22218
180: ok 22219
180: ok 22220
180: ok 22221
180: ok 22222
180: ok 22223
180: ok 22224
180: ok 22225
180: ok 22226
180: ok 22227
180: ok 22228
180: ok 22229
180: ok 22230
180: ok 22231
180: ok 22232
180: ok 22233
180: ok 22234
180: ok 22235
180: ok 22236
180: ok 22237
180: ok 22238
180: ok 22239
180: ok 22240
180: ok 22241
180: ok 22242
180: ok 22243
180: ok 22244
180: ok 22245
180: ok 22246
180: ok 22247
180: ok 22248
180: ok 22249
180: ok 22250
180: ok 22251
180: ok 22252
180: ok 22253
180: ok 22254
180: ok 22255
180: ok 22256
180: ok 22257
180: ok 22258
180: ok 22259
180: ok 22260
180: ok 22261
180: ok 22262
180: ok 22263
180: ok 22264
180: ok 22265
180: ok 22266
180: ok 22267
180: ok 22268
180: ok 22269
180: ok 22270
180: ok 22271
180: ok 22272
180: ok 22273
180: ok 22274
180: ok 22275
180: ok 22276
180: ok 22277
180: ok 22278
180: ok 22279
180: ok 22280
180: ok 22281
180: ok 22282
180: ok 22283
180: ok 22284
180: ok 22285
180: ok 22286
180: ok 22287
180: ok 22288
180: ok 22289
180: ok 22290
180: ok 22291
180: ok 22292
180: ok 22293
180: ok 22294
180: ok 22295
180: ok 22296
180: ok 22297
180: ok 22298
180: ok 22299
180: ok 22300
180: ok 22301
180: ok 22302
180: ok 22303
180: ok 22304
180: ok 22305
180: ok 22306
180: ok 22307
180: ok 22308
180: ok 22309
180: ok 22310
180: ok 22311
180: ok 22312
180: ok 22313
180: ok 22314
180: ok 22315
180: ok 22316
180: ok 22317
180: ok 22318
180: ok 22319
180: ok 22320
180: ok 22321
180: ok 22322
180: ok 22323
180: ok 22324
180: ok 22325
180: ok 22326
180: ok 22327
180: ok 22328
180: ok 22329
180: ok 22330
180: ok 22331
180: ok 22332
180: ok 22333
180: ok 22334
180: ok 22335
180: ok 22336
180: ok 22337
180: ok 22338
180: ok 22339
180: ok 22340
180: ok 22341
180: ok 22342
180: ok 22343
180: ok 22344
180: ok 22345
180: ok 22346
180: ok 22347
180: ok 22348
180: ok 22349
180: ok 22350
180: ok 22351
180: ok 22352
180: ok 22353
180: ok 22354
180: ok 22355
180: ok 22356
180: ok 22357
180: ok 22358
180: ok 22359
180: ok 22360
180: ok 22361
180: ok 22362
180: ok 22363
180: ok 22364
180: ok 22365
180: ok 22366
180: ok 22367
180: ok 22368
180: ok 22369
180: ok 22370
180: ok 22371
180: ok 22372
180: ok 22373
180: ok 22374
180: ok 22375
180: ok 22376
180: ok 22377
180: ok 22378
180: ok 22379
180: ok 22380
180: ok 22381
180: ok 22382
180: ok 22383
180: ok 22384
180: ok 22385
180: ok 22386
180: ok 22387
180: ok 22388
180: ok 22389
180: ok 22390
180: ok 22391
180: ok 22392
180: ok 22393
180: ok 22394
180: ok 22395
180: ok 22396
180: ok 22397
180: ok 22398
180: ok 22399
180: ok 22400
180: ok 22401
180: ok 22402
180: ok 22403
180: ok 22404
180: ok 22405
180: ok 22406
180: ok 22407
180: ok 22408
180: ok 22409
180: ok 22410
180: ok 22411
180: ok 22412
180: ok 22413
180: ok 22414
180: ok 22415
180: ok 22416
180: ok 22417
180: ok 22418
180: ok 22419
180: ok 22420
180: ok 22421
180: ok 22422
180: ok 22423
180: ok 22424
180: ok 22425
180: ok 22426
180: ok 22427
180: ok 22428
180: ok 22429
180: ok 22430
180: ok 22431
180: ok 22432
180: ok 22433
180: ok 22434
180: ok 22435
180: ok 22436
180: ok 22437
180: ok 22438
180: ok 22439
180: ok 22440
180: ok 22441
180: ok 22442
180: ok 22443
180: ok 22444
180: ok 22445
180: ok 22446
180: ok 22447
180: ok 22448
180: ok 22449
180: ok 22450
180: ok 22451
180: ok 22452
180: ok 22453
180: ok 22454
180: ok 22455
180: ok 22456
180: ok 22457
180: ok 22458
180: ok 22459
180: ok 22460
180: ok 22461
180: ok 22462
180: ok 22463
180: ok 22464
180: ok 22465
180: ok 22466
180: ok 22467
180: ok 22468
180: ok 22469
180: ok 22470
180: ok 22471
180: ok 22472
180: ok 22473
180: ok 22474
180: ok 22475
180: ok 22476
180: ok 22477
180: ok 22478
180: ok 22479
180: ok 22480
180: ok 22481
180: ok 22482
180: ok 22483
180: ok 22484
180: ok 22485
180: ok 22486
180: ok 22487
180: ok 22488
180: ok 22489
180: ok 22490
180: ok 22491
180: ok 22492
180: ok 22493
180: ok 22494
180: ok 22495
180: ok 22496
180: ok 22497
180: ok 22498
180: ok 22499
180: ok 22500
180: ok 22501
180: ok 22502
180: ok 22503
180: ok 22504
180: ok 22505
180: ok 22506
180: ok 22507
180: ok 22508
180: ok 22509
180: ok 22510
180: ok 22511
180: ok 22512
180: ok 22513
180: ok 22514
180: ok 22515
180: ok 22516
180: ok 22517
180: ok 22518
180: ok 22519
180: ok 22520
180: ok 22521
180: ok 22522
180: ok 22523
180: ok 22524
180: ok 22525
180: ok 22526
180: ok 22527
180: ok 22528
180: ok 22529
180: ok 22530
180: ok 22531
180: ok 22532
180: ok 22533
180: ok 22534
180: ok 22535
180: ok 22536
180: ok 22537
180: ok 22538
180: ok 22539
180: ok 22540
180: ok 22541
180: ok 22542
180: ok 22543
180: ok 22544
180: ok 22545
180: ok 22546
180: ok 22547
180: ok 22548
180: ok 22549
180: ok 22550
180: ok 22551
180: ok 22552
180: ok 22553
180: ok 22554
180: ok 22555
180: ok 22556
180: ok 22557
180: ok 22558
180: ok 22559
180: ok 22560
180: ok 22561
180: ok 22562
180: ok 22563
180: ok 22564
180: ok 22565
180: ok 22566
180: ok 22567
180: ok 22568
180: ok 22569
180: ok 22570
180: ok 22571
180: ok 22572
180: ok 22573
180: ok 22574
180: ok 22575
180: ok 22576
180: ok 22577
180: ok 22578
180: ok 22579
180: ok 22580
180: ok 22581
180: ok 22582
180: ok 22583
180: ok 22584
180: ok 22585
180: ok 22586
180: ok 22587
180: ok 22588
180: ok 22589
180: ok 22590
180: ok 22591
180: ok 22592
180: ok 22593
180: ok 22594
180: ok 22595
180: ok 22596
180: ok 22597
180: ok 22598
180: ok 22599
180: ok 22600
180: ok 22601
180: ok 22602
180: ok 22603
180: ok 22604
180: ok 22605
180: ok 22606
180: ok 22607
180: ok 22608
180: ok 22609
180: ok 22610
180: ok 22611
180: ok 22612
180: ok 22613
180: ok 22614
180: ok 22615
180: ok 22616
180: ok 22617
180: ok 22618
180: ok 22619
180: ok 22620
180: ok 22621
180: ok 22622
180: ok 22623
180: ok 22624
180: ok 22625
180: ok 22626
180: ok 22627
180: ok 22628
180: ok 22629
180: ok 22630
180: ok 22631
180: ok 22632
180: ok 22633
180: ok 22634
180: ok 22635
180: ok 22636
180: ok 22637
180: ok 22638
180: ok 22639
180: ok 22640
180: ok 22641
180: ok 22642
180: ok 22643
180: ok 22644
180: ok 22645
180: ok 22646
180: ok 22647
180: ok 22648
180: ok 22649
180: ok 22650
180: ok 22651
180: ok 22652
180: ok 22653
180: ok 22654
180: ok 22655
180: ok 22656
180: ok 22657
180: ok 22658
180: ok 22659
180: ok 22660
180: ok 22661
180: ok 22662
180: ok 22663
180: ok 22664
180: ok 22665
180: ok 22666
180: ok 22667
180: ok 22668
180: ok 22669
180: ok 22670
180: ok 22671
180: ok 22672
180: ok 22673
180: ok 22674
180: ok 22675
180: ok 22676
180: ok 22677
180: ok 22678
180: ok 22679
180: ok 22680
180: ok 22681
180: ok 22682
180: ok 22683
180: ok 22684
180: ok 22685
180: ok 22686
180: ok 22687
180: ok 22688
180: ok 22689
180: ok 22690
180: ok 22691
180: ok 22692
180: ok 22693
180: ok 22694
180: ok 22695
180: ok 22696
180: ok 22697
180: ok 22698
180: ok 22699
180: ok 22700
180: ok 22701
180: ok 22702
180: ok 22703
180: ok 22704
180: ok 22705
180: ok 22706
180: ok 22707
180: ok 22708
180: ok 22709
180: ok 22710
180: ok 22711
180: ok 22712
180: ok 22713
180: ok 22714
180: ok 22715
180: ok 22716
180: ok 22717
180: ok 22718
180: ok 22719
180: ok 22720
180: ok 22721
180: ok 22722
180: ok 22723
180: ok 22724
180: ok 22725
180: ok 22726
180: ok 22727
180: ok 22728
180: ok 22729
180: ok 22730
180: ok 22731
180: ok 22732
180: ok 22733
180: ok 22734
180: ok 22735
180: ok 22736
180: ok 22737
180: ok 22738
180: ok 22739
180: ok 22740
180: ok 22741
180: ok 22742
180: ok 22743
180: ok 22744
180: ok 22745
180: ok 22746
180: ok 22747
180: ok 22748
180: ok 22749
180: ok 22750
180: ok 22751
180: ok 22752
180: ok 22753
180: ok 22754
180: ok 22755
180: ok 22756
180: ok 22757
180: ok 22758
180: ok 22759
180: ok 22760
180: ok 22761
180: ok 22762
180: ok 22763
180: ok 22764
180: ok 22765
180: ok 22766
180: ok 22767
180: ok 22768
180: ok 22769
180: ok 22770
180: ok 22771
180: ok 22772
180: ok 22773
180: ok 22774
180: ok 22775
180: ok 22776
180: ok 22777
180: ok 22778
180: ok 22779
180: ok 22780
180: ok 22781
180: ok 22782
180: ok 22783
180: ok 22784
180: ok 22785
180: ok 22786
180: ok 22787
180: ok 22788
180: ok 22789
180: ok 22790
180: ok 22791
180: ok 22792
180: ok 22793
180: ok 22794
180: ok 22795
180: ok 22796
180: ok 22797
180: ok 22798
180: ok 22799
180: ok 22800
180: ok 22801
180: ok 22802
180: ok 22803
180: ok 22804
180: ok 22805
180: ok 22806
180: ok 22807
180: ok 22808
180: ok 22809
180: ok 22810
180: ok 22811
180: ok 22812
180: ok 22813
180: ok 22814
180: ok 22815
180: ok 22816
180: ok 22817
180: ok 22818
180: ok 22819
180: ok 22820
180: ok 22821
180: ok 22822
180: ok 22823
180: ok 22824
180: ok 22825
180: ok 22826
180: ok 22827
180: ok 22828
180: ok 22829
180: ok 22830
180: ok 22831
180: ok 22832
180: ok 22833
180: ok 22834
180: ok 22835
180: ok 22836
180: ok 22837
180: ok 22838
180: ok 22839
180: ok 22840
180: ok 22841
180: ok 22842
180: ok 22843
180: ok 22844
180: ok 22845
180: ok 22846
180: ok 22847
180: ok 22848
180: ok 22849
180: ok 22850
180: ok 22851
180: ok 22852
180: ok 22853
180: ok 22854
180: ok 22855
180: ok 22856
180: ok 22857
180: ok 22858
180: ok 22859
180: ok 22860
180: ok 22861
180: ok 22862
180: ok 22863
180: ok 22864
180: ok 22865
180: ok 22866
180: ok 22867
180: ok 22868
180: ok 22869
180: ok 22870
180: ok 22871
180: ok 22872
180: ok 22873
180: ok 22874
180: ok 22875
180: ok 22876
180: ok 22877
180: ok 22878
180: ok 22879
180: ok 22880
180: ok 22881
180: ok 22882
180: ok 22883
180: ok 22884
180: ok 22885
180: ok 22886
180: ok 22887
180: ok 22888
180: ok 22889
180: ok 22890
180: ok 22891
180: ok 22892
180: ok 22893
180: ok 22894
180: ok 22895
180: ok 22896
180: ok 22897
180: ok 22898
180: ok 22899
180: ok 22900
180: ok 22901
180: ok 22902
180: ok 22903
180: ok 22904
180: ok 22905
180: ok 22906
180: ok 22907
180: ok 22908
180: ok 22909
180: ok 22910
180: ok 22911
180: ok 22912
180: ok 22913
180: ok 22914
180: ok 22915
180: ok 22916
180: ok 22917
180: ok 22918
180: ok 22919
180: ok 22920
180: ok 22921
180: ok 22922
180: ok 22923
180: ok 22924
180: ok 22925
180: ok 22926
180: ok 22927
180: ok 22928
180: ok 22929
180: ok 22930
180: ok 22931
180: ok 22932
180: ok 22933
180: ok 22934
180: ok 22935
180: ok 22936
180: ok 22937
180: ok 22938
180: ok 22939
180: ok 22940
180: ok 22941
180: ok 22942
180: ok 22943
180: ok 22944
180: ok 22945
180: ok 22946
180: ok 22947
180: ok 22948
180: ok 22949
180: ok 22950
180: ok 22951
180: ok 22952
180: ok 22953
180: ok 22954
180: ok 22955
180: ok 22956
180: ok 22957
180: ok 22958
180: ok 22959
180: ok 22960
180: ok 22961
180: ok 22962
180: ok 22963
180: ok 22964
180: ok 22965
180: ok 22966
180: ok 22967
180: ok 22968
180: ok 22969
180: ok 22970
180: ok 22971
180: ok 22972
180: ok 22973
180: ok 22974
180: ok 22975
180: ok 22976
180: ok 22977
180: ok 22978
180: ok 22979
180: ok 22980
180: ok 22981
180: ok 22982
180: ok 22983
180: ok 22984
180: ok 22985
180: ok 22986
180: ok 22987
180: ok 22988
180: ok 22989
180: ok 22990
180: ok 22991
180: ok 22992
180: ok 22993
180: ok 22994
180: ok 22995
180: ok 22996
180: ok 22997
180: ok 22998
180: ok 22999
180: ok 23000
180: # math: passed testDistancesAnglesOrthogonality
180: 1..23000
180: # math: all tests are successful
168:     bond    (-12.958,  14.537,  15.529)  (-12.956,  14.540,  15.533)  ( 0.02,  0.02,  0.03)
168:     angle   (  5.486, -21.711, -16.528)  (  5.488, -21.709, -16.526)  ( 0.04,  0.01,  0.01)
168:     strbnd  (  4.156,   8.341,  -1.058)  (  4.155,   8.340,  -1.059)  ( 0.02,  0.01,  0.04)
168:     torsion (  0.521,  -0.105,  -0.116)  (  0.521,  -0.105,  -0.116)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.814,  -1.090,   2.040)  (  2.814,  -1.090,   2.040)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 13       ( -0.345,  -0.098,  -0.425)  ( -0.340,  -0.093,  -0.420)  ( 0.16,  0.05,  0.21)
168:     bond    ( 19.196, -25.927,  -5.472)  ( 19.199, -25.923,  -5.468)  ( 0.02,  0.01,  0.07)
168:     angle   (-20.973,  31.110,   6.384)  (-20.971,  31.112,   6.386)  ( 0.01,  0.01,  0.03)
168:     strbnd  ( -1.801,  -4.659,   1.967)  ( -1.802,  -4.660,   1.966)  ( 0.04,  0.02,  0.03)
168:     torsion (  2.190,  -1.303,  -1.287)  (  2.190,  -1.303,  -1.287)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.043,   0.681,  -2.017)  (  1.043,   0.681,  -2.017)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 14       ( -0.307,  -0.668,  -1.189)  ( -0.302,  -0.663,  -1.183)  ( 0.14,  0.32,  0.49)
168:     bond    (-22.467,  22.959, -11.970)  (-22.463,  22.963, -11.965)  ( 0.01,  0.02,  0.04)
168:     angle   ( 20.677, -26.111,   8.252)  ( 20.679, -26.109,   8.254)  ( 0.01,  0.01,  0.02)
168:     strbnd  (  1.372,  -1.663,  -0.432)  (  1.371,  -1.664,  -0.432)  ( 0.07,  0.05,  0.02)
168:     torsion ( -0.738,   1.381,   1.027)  ( -0.738,   1.381,   1.027)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.849,   2.766,   1.934)  (  0.849,   2.766,   1.934)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 15       ( -0.779,  -0.703,  -0.742)  ( -0.774,  -0.698,  -0.735)  ( 0.36,  0.34,  0.45)
168:     bond    ( 11.046, -27.491,   7.813)  ( 11.049, -27.488,   7.817)  ( 0.03,  0.01,  0.06)
168:     angle   (-13.695,  29.364,  -9.854)  (-13.693,  29.366,  -9.852)  ( 0.01,  0.01,  0.02)
168:     strbnd  ( -1.160,   1.909,  -1.027)  ( -1.161,   1.909,  -1.027)  ( 0.08,  0.04,  0.03)
168:     torsion (  0.502,  -0.879,  -1.143)  (  0.502,  -0.879,  -1.143)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.527,  -3.606,   3.470)  (  2.528,  -3.606,   3.470)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 16       ( -1.065,  -0.614,   1.036)  ( -1.061,  -0.609,   1.042)  ( 0.45,  0.30,  0.57)
168:     bond    ( -9.763,  20.766,  -9.836)  ( -9.759,  20.769,  -9.832)  ( 0.04,  0.02,  0.05)
168:     angle   (  9.857, -21.778,   9.882)  (  9.859, -21.776,   9.884)  ( 0.02,  0.01,  0.02)
168:     strbnd  (  0.357,   0.332,   0.998)  (  0.356,   0.331,   0.998)  ( 0.03,  0.03,  0.03)
168:     torsion ( -0.978,   0.700,   0.353)  ( -0.978,   0.700,   0.353)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.539,  -0.634,  -0.360)  ( -0.539,  -0.634,  -0.360)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 17       ( -1.087,  -1.069,   0.177)  ( -1.083,  -1.064,   0.183)  ( 0.43,  0.46,  0.10)
168:     bond    ( -1.901, -13.454,  13.464)  ( -1.897, -13.450,  13.468)  ( 0.18,  0.03,  0.03)
168:     angle   (  1.193,   9.826, -16.679)  (  1.195,   9.828, -16.677)  ( 0.18,  0.02,  0.01)
168:     strbnd  ( -3.337,   0.795,   1.409)  ( -3.338,   0.794,   1.408)  ( 0.03,  0.08,  0.02)
168:     torsion (  0.974,   1.005,   1.909)  (  0.974,   1.005,   1.909)  ( 0.00,  0.01,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.983,   0.759,   0.074)  (  1.983,   0.759,   0.074)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 18       ( -0.972,  -1.131,   0.537)  ( -0.966,  -1.126,   0.543)  ( 0.57,  0.45,  0.31)
168:     bond    (  8.970,  -7.168,  -3.472)  (  8.974,  -7.164,  -3.467)  ( 0.05,  0.06,  0.13)
168:     angle   ( -7.660,   2.779,   4.648)  ( -7.658,   2.781,   4.650)  ( 0.02,  0.07,  0.04)
168:     strbnd  ( -0.534,  -1.586,   1.106)  ( -0.535,  -1.587,   1.106)  ( 0.03,  0.05,  0.04)
168:     torsion ( -0.534,  -0.161,  -0.695)  ( -0.534,  -0.161,  -0.695)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.214,   5.005,  -1.050)  ( -1.214,   5.005,  -1.050)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 19       ( -0.892,  -1.390,  -0.413)  ( -0.887,  -1.384,  -0.407)  ( 0.44,  0.43,  0.23)
168:     bond    (-14.431,   0.239,  -5.354)  (-14.427,   0.243,  -5.350)  ( 0.03,  0.11,  0.08)
168:     angle   (  5.190,  -0.465,   6.381)  (  5.192,  -0.463,   6.382)  ( 0.04,  0.09,  0.03)
168:     strbnd  (  2.347,  -0.745,   1.442)  (  2.346,  -0.746,   1.441)  ( 0.04,  0.03,  0.03)
168:     torsion (  0.871,  -0.786,  -1.907)  (  0.871,  -0.786,  -1.907)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  5.131,   0.367,  -0.974)  (  5.131,   0.367,  -0.974)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 20       ( -1.255,   0.127,  -0.110)  ( -1.249,   0.133,  -0.106)  ( 0.48,  0.08,  0.05)
168:     bond    (  4.252,  -7.565,  15.329)  (  4.256,  -7.560,  15.333)  ( 0.11,  0.06,  0.03)
168:     angle   (  1.408,   3.130,  -7.552)  (  1.409,   3.132,  -7.550)  ( 0.13,  0.06,  0.03)
168:     strbnd  (  0.392,   0.525,  -4.232)  (  0.392,   0.524,  -4.233)  ( 0.02,  0.03,  0.02)
168:     torsion ( -2.747,   1.008,   0.725)  ( -2.747,   1.008,   0.725)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -4.560,   3.029,  -4.380)  ( -4.560,   3.029,  -4.380)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 21       (  0.264,   0.125,  -0.017)  (  0.269,   0.129,  -0.012)  ( 0.13,  0.06,  0.01)
168:     bond    ( 20.008,  -3.510,  -2.218)  ( 20.012,  -3.507,  -2.215)  ( 0.02,  0.09,  0.15)
168:     angle   (-15.231,  -7.030,   0.649)  (-15.229,  -7.028,   0.651)  ( 0.01,  0.03,  0.15)
168:     strbnd  ( -8.351,  11.149,   4.002)  ( -8.352,  11.148,   4.001)  ( 0.01,  0.01,  0.02)
168:     torsion (  1.984,  -2.010,  -1.712)  (  1.984,  -2.010,  -1.712)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.854,   1.526,  -0.737)  (  1.854,   1.526,  -0.737)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 22       (  0.427,   0.342,  -0.042)  (  0.433,   0.348,  -0.037)  ( 0.25,  0.20,  0.02)
168:     bond    (  4.959,  -8.811, -19.046)  (  4.964,  -8.806, -19.042)  ( 0.09,  0.05,  0.02)
168:     angle   ( -3.781,   3.630,  13.839)  ( -3.779,   3.632,  13.841)  ( 0.05,  0.05,  0.01)
168:     strbnd  (  1.990,  -1.284,  -2.382)  (  1.989,  -1.285,  -2.383)  ( 0.02,  0.04,  0.04)
168:     torsion ( -0.424,  -0.578,   0.131)  ( -0.424,  -0.578,   0.131)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.317,   7.386,   7.417)  ( -2.317,   7.386,   7.417)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 23       (  0.262,   0.237,   0.013)  (  0.267,   0.243,   0.019)  ( 0.12,  0.14,  0.01)
168:     bond    ( -9.101, -14.027,  14.486)  ( -9.097, -14.023,  14.490)  ( 0.04,  0.03,  0.03)
168:     angle   ( 10.251,   5.425, -14.704)  ( 10.253,   5.427, -14.702)  ( 0.02,  0.04,  0.01)
168:     strbnd  (  4.541,  -0.227,   0.888)  (  4.540,  -0.227,   0.888)  ( 0.02,  0.01,  0.06)
168:     torsion ( -1.610,   3.720,   3.452)  ( -1.610,   3.720,   3.452)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.819,   5.346,  -4.109)  ( -3.819,   5.346,  -4.109)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 24       (  0.357,   0.362,   0.364)  (  0.362,   0.367,   0.370)  ( 0.18,  0.17,  0.22)
168:     bond    ( 21.264, -13.824,  -2.826)  ( 21.268, -13.820,  -2.821)  ( 0.02,  0.03,  0.16)
168:     angle   (-16.268,  12.918,  11.920)  (-16.266,  12.920,  11.922)  ( 0.01,  0.02,  0.01)
168:     strbnd  ( -2.042,  -2.702,   2.306)  ( -2.043,  -2.703,   2.305)  ( 0.04,  0.04,  0.01)
168:     torsion (  0.242,  -0.309,  -3.665)  (  0.242,  -0.309,  -3.665)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.840,   4.280,  -7.371)  ( -2.839,   4.280,  -7.371)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 25       (  0.298,   0.643,   0.076)  (  0.302,   0.648,   0.081)  ( 0.13,  0.32,  0.04)
168:     bond    (-17.007,  -1.605,  19.177)  (-17.004,  -1.602,  19.181)  ( 0.02,  0.21,  0.02)
168:     angle   ( 20.289, -11.578, -20.050)  ( 20.291, -11.576, -20.048)  ( 0.01,  0.02,  0.01)
168:     strbnd  (  0.219,   4.268,  -0.478)  (  0.218,   4.267,  -0.478)  ( 0.02,  0.02,  0.02)
168:     torsion ( -1.834,   2.984,   4.550)  ( -1.834,   2.984,   4.550)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.369,   6.574,  -3.124)  ( -1.369,   6.574,  -3.124)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 26       (  1.702,  -0.982,   0.019)  (  1.706,  -0.964,   0.099)  ( 0.20,  1.69,  0.15)
168:     bond    ( 15.847,  -1.098,  -7.962)  ( 15.850,  -1.095,  -7.959)  ( 0.02,  0.29,  0.04)
168:     angle   (-11.285,  -1.723,  11.202)  (-11.283,  -1.722,  11.203)  ( 0.02,  0.12,  0.02)
168:     strbnd  ( -2.536,   2.403,   1.664)  ( -2.537,   2.402,   1.663)  ( 0.03,  0.03,  0.04)
168:     torsion (  1.195,  -2.901,  -3.945)  (  1.195,  -2.901,  -3.945)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.005,  -0.076,  -0.452)  (  0.004,  -0.063,  -0.376)  ( 0.00,  0.10,  3.40)
168:     vdw     ( -1.368,   2.242,  -0.525)  ( -1.367,   2.242,  -0.525)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.155,   0.173,   0.037)  ( -0.155,   0.173,   0.037)  ( 0.00,  0.00,  0.00)
168: 27       (  0.236,   0.612,   0.037)  (  0.242,   0.618,   0.042)  ( 0.14,  0.35,  0.02)
168:     bond    (  5.055, -10.233, -17.302)  (  5.059, -10.229, -17.298)  ( 0.09,  0.04,  0.02)
168:     angle   ( -3.183,   7.842,  10.800)  ( -3.181,   7.843,  10.802)  ( 0.06,  0.02,  0.02)
168:     strbnd  (  1.203,   0.907,  -0.607)  (  1.203,   0.907,  -0.608)  ( 0.04,  0.05,  0.06)
168:     torsion ( -0.959,  -0.405,  -0.114)  ( -0.959,  -0.405,  -0.114)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.881,   2.501,   7.260)  ( -1.880,   2.501,   7.260)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 28       (  2.639,  -0.334,  -0.722)  (  2.643,  -0.333,  -0.718)  ( 0.16,  0.06,  0.35)
168:     bond    (  7.820,   3.623,  -3.208)  (  7.824,   3.624,  -3.204)  ( 0.05,  0.03,  0.12)
168:     angle   ( -2.167,   1.247,   4.426)  ( -2.166,   1.247,   4.428)  ( 0.01,  0.03,  0.03)
168:     strbnd  (  0.310,   0.219,   0.140)  (  0.310,   0.219,   0.140)  ( 0.00,  0.00,  0.01)
168:     torsion (  0.871,  -2.454,  -0.635)  (  0.871,  -2.454,  -0.635)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.614,  -2.920,  -1.379)  ( -3.614,  -2.920,  -1.379)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.581,  -0.048,  -0.068)  ( -0.581,  -0.048,  -0.068)  ( 0.00,  0.00,  0.00)
168: 29       (  0.408,   0.492,   0.031)  (  0.409,   0.493,   0.034)  ( 0.03,  0.06,  0.01)
168:     bond    ( -1.093,   2.730,   5.745)  ( -1.093,   2.731,   5.748)  ( 0.01,  0.02,  0.04)
168:     angle   ( -0.447,  -1.804,   0.772)  ( -0.446,  -1.803,   0.772)  ( 0.03,  0.03,  0.01)
168:     strbnd  ( -0.651,  -1.825,  -2.101)  ( -0.651,  -1.825,  -2.101)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.322,  -0.173,   0.334)  (  1.322,  -0.173,   0.334)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.277,   1.563,  -4.719)  (  1.277,   1.563,  -4.719)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 30       (  0.503,   0.033,   0.106)  (  0.504,   0.034,   0.109)  ( 0.04,  0.00,  0.03)
168:     bond    (  0.388,  -0.566,  -1.877)  (  0.388,  -0.566,  -1.874)  ( 0.01,  0.02,  0.16)
168:     angle   ( -1.222,   1.435,  -0.686)  ( -1.222,   1.436,  -0.686)  ( 0.05,  0.04,  0.00)
168:     strbnd  ( -0.562,   0.515,   1.009)  ( -0.562,   0.515,   1.009)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.037,   0.246,  -0.289)  ( -1.037,   0.246,  -0.289)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.936,  -1.598,   1.950)  (  2.936,  -1.598,   1.950)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 31       (  0.438,   0.182,   0.134)  (  0.439,   0.183,   0.137)  ( 0.04,  0.02,  0.04)
168:     bond    ( -1.114,   1.979,   6.032)  ( -1.114,   1.980,   6.035)  ( 0.01,  0.02,  0.05)
168:     angle   ( -0.690,   1.900,  -0.751)  ( -0.689,   1.901,  -0.751)  ( 0.04,  0.03,  0.01)
168:     strbnd  (  0.022,  -0.078,  -2.039)  (  0.022,  -0.078,  -2.039)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.783,   1.067,  -0.206)  (  0.783,   1.067,  -0.206)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.437,  -4.688,  -2.903)  (  1.437,  -4.687,  -2.903)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 32       (  1.763,   0.235,  -0.010)  (  1.764,   0.236,  -0.007)  ( 0.05,  0.03,  0.00)
168:     bond    ( -0.495,   1.091,   2.241)  ( -0.495,   1.092,   2.244)  ( 0.01,  0.06,  0.12)
168:     angle   ( -0.145,   0.135,  -0.098)  ( -0.144,   0.135,  -0.098)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -0.003,  -0.325,  -0.202)  ( -0.003,  -0.325,  -0.202)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.861,   0.535,   0.150)  (  1.861,   0.535,   0.150)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.545,  -1.202,  -2.101)  (  0.545,  -1.202,  -2.101)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 33       (  0.648,   0.036,  -0.155)  (  0.650,   0.037,  -0.153)  ( 0.11,  0.00,  0.03)
168:     bond    (  2.130,  -0.511,   2.443)  (  2.132,  -0.511,   2.445)  ( 0.07,  0.00,  0.08)
168:     angle   (  2.580,  -0.905,  -2.439)  (  2.580,  -0.904,  -2.439)  ( 0.01,  0.05,  0.01)
168:     strbnd  ( -0.613,   0.221,  -1.607)  ( -0.613,   0.221,  -1.607)  ( 0.00,  0.00,  0.00)
168:     torsion ( -2.226,   0.124,   1.967)  ( -2.226,   0.125,   1.967)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.223,   1.107,  -0.518)  ( -1.223,   1.107,  -0.518)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 34       (  0.623,  -0.025,  -0.099)  (  0.624,  -0.024,  -0.096)  ( 0.07,  0.00,  0.02)
168:     bond    (  1.205,  -1.083,  -2.206)  (  1.205,  -1.082,  -2.204)  ( 0.05,  0.05,  0.10)
168:     angle   (  4.429,  -0.679,   2.755)  (  4.430,  -0.679,   2.755)  ( 0.01,  0.03,  0.01)
168:     strbnd  ( -0.025,   0.560,   1.229)  ( -0.025,   0.560,   1.229)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.189,  -0.747,  -0.284)  ( -1.189,  -0.747,  -0.284)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.797,   1.923,  -1.593)  ( -3.797,   1.923,  -1.593)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 35       (  0.727,   0.236,   0.113)  (  0.728,   0.237,   0.115)  ( 0.07,  0.02,  0.03)
168:     bond    ( -1.135,   1.111,   3.160)  ( -1.134,   1.111,   3.163)  ( 0.03,  0.03,  0.08)
168:     angle   (  2.191,   0.137,   0.737)  (  2.191,   0.138,   0.737)  ( 0.03,  0.01,  0.01)
168:     strbnd  (  1.028,  -1.182,  -0.643)  (  1.028,  -1.182,  -0.643)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.059,  -1.190,   0.439)  (  0.059,  -1.190,   0.439)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.416,   1.359,  -3.581)  ( -1.416,   1.359,  -3.581)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 36       (  0.488,   0.270,  -0.116)  (  0.489,   0.274,  -0.116)  ( 0.04,  0.09,  0.01)
168:     bond    (  0.456,  -2.299,   0.220)  (  0.456,  -2.296,   0.220)  ( 0.01,  0.14,  0.00)
168:     angle   (  2.467,   0.624,   1.393)  (  2.468,   0.624,   1.393)  ( 0.02,  0.00,  0.04)
168:     strbnd  (  0.024,   1.326,   0.945)  (  0.024,   1.326,   0.945)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.177,  -0.003,  -0.400)  (  0.177,  -0.003,  -0.399)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.636,   0.622,  -2.274)  ( -2.636,   0.622,  -2.274)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 37       (  0.151,   1.287,   0.431)  (  0.152,   1.288,   0.434)  ( 0.02,  0.05,  0.13)
168:     bond    (  1.073,  -0.388,  -2.975)  (  1.074,  -0.388,  -2.972)  ( 0.04,  0.00,  0.10)
168:     angle   ( -0.794,   2.840,  -0.658)  ( -0.793,   2.841,  -0.658)  ( 0.04,  0.02,  0.00)
168:     strbnd  ( -0.284,   0.981,   1.653)  ( -0.284,   0.981,   1.653)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.057,  -0.640,  -0.298)  ( -1.057,  -0.640,  -0.298)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.212,  -1.506,   2.709)  (  1.212,  -1.506,   2.709)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 38       (  0.339,   0.476,   1.257)  (  0.340,   0.479,   1.258)  ( 0.03,  0.15,  0.04)
168:     bond    ( -0.805,   4.071,   0.318)  ( -0.805,   4.074,   0.318)  ( 0.01,  0.08,  0.00)
168:     angle   (  5.353,   1.181,  -1.582)  (  5.354,   1.181,  -1.581)  ( 0.01,  0.00,  0.03)
168:     strbnd  (  0.930,  -1.391,  -0.658)  (  0.930,  -1.391,  -0.658)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.899,  -0.571,   2.506)  ( -1.899,  -0.571,   2.506)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.240,  -2.814,   0.673)  ( -3.240,  -2.814,   0.673)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 39       ( -0.459,   2.457,  -0.480)  ( -0.460,   2.464,  -0.456)  ( 0.02,  0.30,  1.11)
168:     bond    ( -0.322,   6.022,  -1.065)  ( -0.322,   6.026,  -1.065)  ( 0.00,  0.06,  0.01)
168:     angle   ( -3.546,  -0.243,  -0.303)  ( -3.546,  -0.243,  -0.303)  ( 0.02,  0.00,  0.00)
168:     strbnd  (  0.529,  -2.091,   0.417)  (  0.529,  -2.091,   0.417)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.017,   0.060,   0.336)  (  0.017,   0.060,   0.337)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.010,  -0.029,  -0.170)  (  0.009,  -0.026,  -0.147)  ( 0.00,  0.01,  0.39)
168:     vdw     (  2.635,  -1.088,   0.220)  (  2.635,  -1.088,   0.220)  ( 0.00,  0.00,  0.00)
168:     electro (  0.219,  -0.174,   0.085)  (  0.219,  -0.174,   0.085)  ( 0.00,  0.00,  0.00)
168: 40       (  0.840,  -0.019,  -0.312)  (  0.841,  -0.018,  -0.309)  ( 0.11,  0.00,  0.07)
168:     bond    ( -1.264,   0.699,  -1.919)  ( -1.263,   0.699,  -1.917)  ( 0.07,  0.02,  0.11)
168:     angle   (  0.476,   0.291,  -0.208)  (  0.477,   0.292,  -0.208)  ( 0.02,  0.02,  0.00)
168:     strbnd  (  0.323,   0.150,   1.507)  (  0.323,   0.150,   1.507)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.949,   0.716,  -0.364)  (  0.949,   0.716,  -0.364)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.355,  -1.875,   0.672)  (  0.355,  -1.875,   0.672)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 41       (  0.302,   0.253,  -0.644)  (  0.303,   0.254,  -0.641)  ( 0.04,  0.02,  0.15)
168:     bond    ( -1.052,   0.652,   1.694)  ( -1.051,   0.653,   1.696)  ( 0.08,  0.02,  0.13)
168:     angle   (  1.336,   3.153,  -0.385)  (  1.337,   3.153,  -0.384)  ( 0.03,  0.02,  0.01)
168:     strbnd  (  0.202,   0.175,  -1.360)  (  0.202,   0.175,  -1.360)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.348,  -0.299,  -0.101)  ( -0.348,  -0.299,  -0.101)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.164,  -3.428,  -0.491)  (  0.164,  -3.428,  -0.491)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 42       (  0.242,  -0.051,   0.087)  (  0.243,  -0.051,   0.090)  ( 0.02,  0.00,  0.03)
168:     bond    (  0.344,   0.091,  -1.789)  (  0.344,   0.091,  -1.786)  ( 0.00,  0.00,  0.18)
168:     angle   ( -2.274,   1.718,  -0.351)  ( -2.274,   1.718,  -0.351)  ( 0.02,  0.03,  0.00)
168:     strbnd  (  0.055,   0.966,   0.467)  (  0.055,   0.966,   0.467)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.347,   0.529,   0.094)  (  0.347,   0.529,   0.094)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.770,  -3.355,   1.666)  (  1.770,  -3.355,   1.666)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 43       (  0.647,   0.422,  -0.099)  (  0.648,   0.424,  -0.099)  ( 0.07,  0.12,  0.01)
168:     bond    ( -0.598,   1.361,   0.419)  ( -0.597,   1.363,   0.420)  ( 0.03,  0.19,  0.01)
168:     angle   (  0.254,   1.061,  -3.086)  (  0.255,   1.061,  -3.085)  ( 0.01,  0.01,  0.02)
168:     strbnd  (  0.585,   0.274,  -0.771)  (  0.585,   0.274,  -0.771)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.431,  -0.894,   2.291)  ( -0.431,  -0.894,   2.291)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.837,  -1.379,   1.046)  (  0.837,  -1.379,   1.046)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 44       ( -0.948,   0.980,   0.797)  ( -0.947,   0.982,   0.799)  ( 0.08,  0.11,  0.21)
168:     bond    ( -0.079,  -0.094,  -0.209)  ( -0.078,  -0.094,  -0.207)  ( 0.00,  0.00,  0.05)
168:     angle   ( -1.561,   3.754,  -1.115)  ( -1.561,   3.755,  -1.115)  ( 0.03,  0.01,  0.01)
168:     strbnd  ( -1.025,   0.299,   0.384)  ( -1.025,   0.299,   0.384)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.309,  -1.025,   0.349)  (  0.309,  -1.025,   0.349)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.408,  -1.954,   1.389)  (  1.408,  -1.954,   1.389)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 45       (  0.684,   0.907,   1.369)  (  0.687,   0.908,   1.370)  ( 0.16,  0.08,  0.09)
168:     bond    ( -1.901,   0.820,   1.194)  ( -1.899,   0.820,   1.195)  ( 0.11,  0.03,  0.07)
168:     angle   ( -0.217,  -0.147,  -0.244)  ( -0.216,  -0.146,  -0.243)  ( 0.00,  0.01,  0.01)
168:     strbnd  ( -0.303,  -0.559,  -1.117)  ( -0.303,  -0.559,  -1.117)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.043,   1.144,   0.873)  (  1.043,   1.144,   0.873)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.062,  -0.352,   0.663)  (  2.062,  -0.352,   0.663)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 46       (  0.367,  -0.348,   0.007)  (  0.368,  -0.346,   0.010)  ( 0.03,  0.04,  0.00)
168:     bond    ( -0.743,   1.942,   5.648)  ( -0.743,   1.943,   5.651)  ( 0.01,  0.02,  0.05)
168:     angle   ( -0.834,   2.429,  -0.945)  ( -0.833,   2.430,  -0.945)  ( 0.05,  0.03,  0.01)
168:     strbnd  ( -0.401,  -0.284,  -2.968)  ( -0.401,  -0.284,  -2.968)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.439,  -1.217,   0.361)  ( -0.439,  -1.217,   0.361)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.784,  -3.218,  -2.089)  (  2.784,  -3.218,  -2.089)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 47       (  0.015,  -0.265,   0.203)  (  0.016,  -0.264,   0.204)  ( 0.00,  0.04,  0.03)
168:     bond    (  0.405,  -0.387,  -0.424)  (  0.406,  -0.386,  -0.423)  ( 0.05,  0.04,  0.05)
168:     angle   ( -2.172,  -2.780,   0.450)  ( -2.171,  -2.779,   0.451)  ( 0.02,  0.01,  0.02)
168:     strbnd  ( -0.734,   0.044,   1.793)  ( -0.734,   0.044,   1.793)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.276,  -0.075,  -0.196)  ( -0.276,  -0.075,  -0.196)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.791,   2.933,  -1.421)  (  2.791,   2.933,  -1.421)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 48       ( -0.723,  -0.153,  -2.370)  ( -0.721,  -0.151,  -2.369)  ( 0.12,  0.03,  0.05)
168:     bond    ( -0.977,   1.037,   0.786)  ( -0.976,   1.038,   0.787)  ( 0.12,  0.13,  0.06)
168:     angle   ( -0.242,   0.074,  -0.397)  ( -0.241,   0.074,  -0.397)  ( 0.01,  0.00,  0.01)
168:     strbnd  (  0.015,  -0.149,  -2.101)  (  0.015,  -0.149,  -2.101)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.303,   0.391,  -0.890)  ( -0.303,   0.391,  -0.890)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.783,  -1.505,   0.233)  (  0.783,  -1.505,   0.233)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 49       (  0.608,  -1.419,  -1.523)  (  0.609,  -1.418,  -1.520)  ( 0.04,  0.06,  0.21)
168:     bond    ( -0.234,   0.800,  -3.501)  ( -0.234,   0.800,  -3.498)  ( 0.00,  0.01,  0.09)
168:     angle   ( -0.364,  -2.283,  -0.498)  ( -0.363,  -2.283,  -0.498)  ( 0.02,  0.02,  0.00)
168:     strbnd  ( -1.308,   0.802,   1.925)  ( -1.308,   0.802,   1.925)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.209,  -1.267,  -0.371)  (  1.209,  -1.267,  -0.371)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.305,   0.529,   0.922)  (  1.305,   0.529,   0.922)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 50       ( -1.926,  -0.688,  -1.325)  ( -1.925,  -0.687,  -1.323)  ( 0.05,  0.11,  0.15)
168:     bond    (  1.132,  -1.684,  -2.127)  (  1.132,  -1.683,  -2.125)  ( 0.04,  0.07,  0.08)
168:     angle   ( -0.386,   0.713,  -0.771)  ( -0.386,   0.714,  -0.771)  ( 0.02,  0.03,  0.02)
168:     strbnd  ( -0.234,  -0.477,   1.916)  ( -0.234,  -0.478,   1.916)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.839,   0.814,  -1.092)  ( -0.839,   0.814,  -1.092)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.600,  -0.054,   0.749)  ( -1.600,  -0.054,   0.749)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 51       (  0.141,  -0.997,  -1.237)  (  0.142,  -0.996,  -1.234)  ( 0.01,  0.10,  0.23)
168:     bond    ( -0.459,   0.602,  -1.366)  ( -0.459,   0.603,  -1.364)  ( 0.01,  0.03,  0.19)
168:     angle   ( -4.840,  -2.593,   0.483)  ( -4.839,  -2.592,   0.483)  ( 0.01,  0.02,  0.01)
168:     strbnd  ( -0.066,  -0.914,  -1.669)  ( -0.066,  -0.914,  -1.669)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.609,  -0.569,  -0.456)  (  0.609,  -0.569,  -0.456)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.897,   2.477,   1.772)  (  4.897,   2.477,   1.772)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 52       ( -2.339,   0.741,   1.932)  ( -2.338,   0.742,   1.935)  ( 0.04,  0.05,  0.15)
168:     bond    ( -0.579,   0.431,  -1.609)  ( -0.579,   0.431,  -1.606)  ( 0.02,  0.01,  0.17)
168:     angle   ( -0.609,   2.084,   0.779)  ( -0.609,   2.085,   0.779)  ( 0.03,  0.02,  0.01)
168:     strbnd  (  0.098,   0.859,   1.399)  (  0.098,   0.859,   1.399)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.384,  -0.338,   0.048)  ( -0.384,  -0.338,   0.048)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.864,  -2.295,   1.315)  ( -0.864,  -2.295,   1.315)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 53       (  0.056,  -1.491,   2.539)  (  0.057,  -1.489,   2.541)  ( 0.01,  0.13,  0.06)
168:     bond    ( -1.594,   2.825,   2.595)  ( -1.593,   2.827,   2.597)  ( 0.03,  0.05,  0.05)
168:     angle   ( -1.514,  -2.295,   1.569)  ( -1.514,  -2.295,   1.569)  ( 0.03,  0.01,  0.02)
168:     strbnd  (  0.494,  -0.602,  -2.308)  (  0.494,  -0.602,  -2.308)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.240,  -0.042,   0.806)  (  1.240,  -0.042,   0.806)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.431,  -1.377,  -0.123)  (  1.431,  -1.377,  -0.123)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 54       ( -1.751,  -1.353,   0.152)  ( -1.750,  -1.352,   0.155)  ( 0.04,  0.06,  0.05)
168:     bond    ( -0.353,   0.090,   4.018)  ( -0.353,   0.090,   4.021)  ( 0.00,  0.00,  0.08)
168:     angle   ( -0.173,  -0.584,  -0.002)  ( -0.173,  -0.583,  -0.002)  ( 0.01,  0.04,  0.00)
168:     strbnd  (  0.100,  -0.938,  -1.958)  (  0.100,  -0.938,  -1.958)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.477,  -0.328,  -0.122)  ( -1.476,  -0.328,  -0.122)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.153,   0.407,  -1.784)  (  0.153,   0.407,  -1.784)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 55       ( -0.691,  -0.566,  -0.526)  ( -0.688,  -0.566,  -0.525)  ( 0.22,  0.04,  0.04)
168:     bond    ( -0.658,  -0.057,  -0.193)  ( -0.655,  -0.057,  -0.193)  ( 0.21,  0.00,  0.01)
168:     angle   (  0.205,  -4.548,   0.655)  (  0.205,  -4.547,   0.655)  ( 0.00,  0.01,  0.03)
168:     strbnd  ( -0.169,  -0.573,  -0.356)  ( -0.169,  -0.573,  -0.356)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.064,   0.110,  -0.250)  (  0.064,   0.110,  -0.250)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.132,   4.501,  -0.381)  ( -0.132,   4.502,  -0.381)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 56       ( -1.939,  -2.205,   0.809)  ( -1.938,  -2.204,   0.812)  ( 0.03,  0.03,  0.27)
168:     bond    ( -0.033,  -0.223,  -1.036)  ( -0.033,  -0.223,  -1.033)  ( 0.00,  0.00,  0.31)
168:     angle   (  0.267,  -3.200,   0.682)  (  0.267,  -3.200,   0.682)  ( 0.01,  0.02,  0.00)
168:     strbnd  (  0.445,  -0.392,   0.323)  (  0.445,  -0.392,   0.323)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.267,  -0.189,   0.049)  ( -0.267,  -0.189,   0.049)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.350,   1.799,   0.791)  ( -2.350,   1.799,   0.791)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 57       ( -0.222,  -0.711,   1.702)  ( -0.221,  -0.708,   1.703)  ( 0.02,  0.16,  0.07)
168:     bond    ( -1.423,  -3.015,   1.849)  ( -1.423,  -3.013,   1.849)  ( 0.03,  0.07,  0.04)
168:     angle   (  1.191,  -0.586,  -0.038)  (  1.192,  -0.586,  -0.038)  ( 0.04,  0.01,  0.00)
168:     strbnd  (  0.927,   0.636,  -0.840)  (  0.927,   0.636,  -0.840)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.670,   0.208,   0.854)  (  0.670,   0.208,   0.854)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.587,   2.046,  -0.123)  ( -1.587,   2.046,  -0.123)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 58       ( -1.065,  -1.279,  -1.213)  ( -1.063,  -1.277,  -1.212)  ( 0.14,  0.19,  0.05)
168:     bond    ( -0.341,   0.461,   0.108)  ( -0.340,   0.463,   0.108)  ( 0.04,  0.10,  0.00)
168:     angle   ( -2.386,  -1.529,  -0.965)  ( -2.386,  -1.529,  -0.964)  ( 0.01,  0.01,  0.04)
168:     strbnd  ( -0.455,  -0.647,  -0.480)  ( -0.455,  -0.647,  -0.480)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.014,   0.020,  -0.041)  (  0.014,   0.020,  -0.041)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.104,   0.416,   0.164)  (  2.104,   0.416,   0.164)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 59       ( -1.070,  -1.140,  -0.343)  ( -1.069,  -1.138,  -0.342)  ( 0.10,  0.20,  0.03)
168:     bond    ( -1.369,  -2.487,   1.248)  ( -1.368,  -2.484,   1.248)  ( 0.05,  0.09,  0.04)
168:     angle   ( -1.624,   0.072,  -1.636)  ( -1.623,   0.072,  -1.636)  ( 0.03,  0.00,  0.03)
168:     strbnd  ( -0.372,   0.804,  -0.765)  ( -0.372,   0.804,  -0.765)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.290,   0.448,   0.574)  ( -0.290,   0.448,   0.574)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.584,   0.022,   0.237)  (  2.584,   0.022,   0.237)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 60       ( -0.358,  -1.910,  -0.423)  ( -0.357,  -1.909,  -0.420)  ( 0.02,  0.03,  0.14)
168:     bond    (  0.061,  -0.358,  -2.470)  (  0.061,  -0.358,  -2.467)  ( 0.00,  0.00,  0.13)
168:     angle   ( -2.334,  -1.222,   0.119)  ( -2.334,  -1.222,   0.119)  ( 0.02,  0.04,  0.00)
168:     strbnd  ( -0.879,   0.068,   0.565)  ( -0.879,   0.068,   0.565)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.016,  -0.218,   0.032)  (  0.016,  -0.218,   0.032)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.778,  -0.179,   1.331)  (  2.778,  -0.179,   1.331)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 61       ( -1.170,  -0.189,   0.037)  ( -1.168,  -0.188,   0.038)  ( 0.25,  0.01,  0.00)
168:     bond    ( -0.428,  -0.103,  -0.175)  ( -0.426,  -0.103,  -0.175)  ( 0.12,  0.00,  0.01)
168:     angle   ( -0.331,  -3.245,   2.709)  ( -0.331,  -3.244,   2.710)  ( 0.00,  0.01,  0.02)
168:     strbnd  ( -0.890,  -0.655,   0.505)  ( -0.890,  -0.655,   0.505)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.146,   0.349,   0.151)  ( -0.146,   0.349,   0.152)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.626,   3.464,  -3.153)  (  0.626,   3.464,  -3.153)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 62       ( -1.757,   0.318,   0.260)  ( -1.756,   0.322,   0.261)  ( 0.03,  0.11,  0.02)
168:     bond    (  0.021,   0.242,  -0.008)  (  0.021,   0.246,  -0.008)  ( 0.00,  0.08,  0.00)
168:     angle   (  2.576,  -0.098,   3.676)  (  2.576,  -0.098,   3.677)  ( 0.02,  0.00,  0.01)
168:     strbnd  (  0.261,   0.641,   0.904)  (  0.261,   0.642,   0.904)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.156,  -0.106,  -0.183)  (  1.156,  -0.106,  -0.183)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.770,  -0.362,  -4.129)  ( -5.770,  -0.362,  -4.129)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 63       ( -1.163,   0.855,  -0.571)  ( -1.161,   0.856,  -0.570)  ( 0.16,  0.08,  0.09)
168:     bond    ( -1.786,   1.024,   1.583)  ( -1.785,   1.024,   1.584)  ( 0.09,  0.05,  0.08)
168:     angle   (  0.428,  -0.094,   0.542)  (  0.428,  -0.094,   0.543)  ( 0.01,  0.00,  0.02)
168:     strbnd  (  0.673,  -0.673,   0.446)  (  0.673,  -0.673,   0.446)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.227,  -0.276,  -0.077)  ( -0.227,  -0.276,  -0.077)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.250,   0.874,  -3.065)  ( -0.250,   0.874,  -3.065)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 64       (  0.790,  -0.989,   0.790)  (  0.793,  -0.989,   0.791)  ( 0.25,  0.06,  0.06)
168:     bond    (  0.666,   0.107,  -0.162)  (  0.670,   0.108,  -0.162)  ( 0.21,  0.00,  0.00)
168:     angle   ( -0.821,  -2.989,  -5.388)  ( -0.821,  -2.989,  -5.387)  ( 0.00,  0.02,  0.01)
168:     strbnd  ( -1.303,  -0.763,  -0.758)  ( -1.303,  -0.763,  -0.758)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.159,  -0.563,   0.283)  (  0.159,  -0.563,   0.283)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.089,   3.218,   6.815)  (  2.089,   3.218,   6.815)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 65       (  1.612,   1.583,  -0.244)  (  1.613,   1.584,  -0.242)  ( 0.09,  0.07,  0.05)
168:     bond    ( -0.305,   0.226,  -0.426)  ( -0.304,   0.227,  -0.424)  ( 0.03,  0.01,  0.08)
168:     angle   (  3.626,  -2.262,  -3.808)  (  3.626,  -2.262,  -3.808)  ( 0.01,  0.02,  0.01)
168:     strbnd  (  0.994,  -1.017,  -0.192)  (  0.994,  -1.017,  -0.192)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.256,   0.264,  -0.043)  (  0.256,   0.264,  -0.043)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.959,   4.372,   4.225)  ( -2.958,   4.372,   4.225)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 66       ( -1.078,   0.552,  -0.760)  ( -1.078,   0.556,  -0.759)  ( 0.06,  0.19,  0.05)
168:     bond    (  0.016,   0.113,   0.003)  (  0.016,   0.116,   0.003)  ( 0.00,  0.04,  0.00)
168:     angle   (  2.563,  -0.264,  -3.412)  (  2.563,  -0.264,  -3.411)  ( 0.02,  0.00,  0.02)
168:     strbnd  (  0.510,   0.950,  -1.109)  (  0.510,   0.950,  -1.109)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.450,   0.067,  -0.151)  ( -0.450,   0.067,  -0.151)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.718,  -0.314,   3.909)  ( -3.717,  -0.314,   3.909)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 67       (  0.335,   0.250,   0.082)  (  0.336,   0.253,   0.082)  ( 0.02,  0.08,  0.00)
168:     bond    (  0.214,  -2.095,   0.090)  (  0.214,  -2.092,   0.090)  ( 0.00,  0.16,  0.00)
168:     angle   (  1.574,   0.246,   1.978)  (  1.575,   0.246,   1.979)  ( 0.04,  0.00,  0.03)
168:     strbnd  ( -0.777,   1.004,   0.844)  ( -0.777,   1.004,   0.844)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.181,  -0.026,  -1.050)  (  0.181,  -0.026,  -1.050)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.857,   1.121,  -1.781)  ( -0.857,   1.121,  -1.781)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 68       (  0.121,   0.190,   0.044)  (  0.122,   0.191,   0.047)  ( 0.01,  0.02,  0.01)
168:     bond    ( -0.946,   0.945,   2.916)  ( -0.946,   0.945,   2.919)  ( 0.03,  0.03,  0.09)
168:     angle   (  2.086,  -0.263,   0.761)  (  2.086,  -0.263,   0.761)  ( 0.03,  0.01,  0.01)
168:     strbnd  (  0.013,  -1.433,  -0.930)  (  0.013,  -1.433,  -0.930)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.192,  -1.114,   0.423)  (  0.192,  -1.114,   0.423)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.224,   2.055,  -3.126)  ( -1.224,   2.055,  -3.126)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 69       (  0.670,   0.306,   0.584)  (  0.671,   0.308,   0.587)  ( 0.08,  0.04,  0.14)
168:     bond    ( -0.089,   0.102,   0.156)  ( -0.088,   0.103,   0.158)  ( 0.01,  0.01,  0.03)
168:     angle   (  0.439,  -2.980,   2.180)  (  0.440,  -2.979,   2.180)  ( 0.02,  0.02,  0.01)
168:     strbnd  (  0.329,   0.312,   1.723)  (  0.329,   0.312,   1.723)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.972,  -0.601,   0.932)  (  0.972,  -0.601,   0.933)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.982,   3.473,  -4.407)  ( -0.982,   3.473,  -4.407)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 70       (  0.106,   0.582,   0.566)  (  0.107,   0.583,   0.568)  ( 0.02,  0.04,  0.13)
168:     bond    (  1.818,  -0.560,   2.482)  (  1.819,  -0.560,   2.484)  ( 0.06,  0.01,  0.08)
168:     angle   ( -0.401,  -1.568,  -0.060)  ( -0.400,  -1.567,  -0.060)  ( 0.01,  0.04,  0.00)
168:     strbnd  ( -0.251,  -0.339,  -2.165)  ( -0.251,  -0.339,  -2.165)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.175,   0.745,   1.028)  ( -1.175,   0.745,   1.028)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.115,   2.304,  -0.719)  (  0.115,   2.304,  -0.719)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 71       (  0.738,   0.197,   0.250)  (  0.741,   0.198,   0.251)  ( 0.20,  0.02,  0.02)
168:     bond    (  1.848,   0.749,  -0.682)  (  1.850,   0.749,  -0.682)  ( 0.14,  0.03,  0.02)
168:     angle   ( -0.676,  -2.968,  -5.094)  ( -0.676,  -2.967,  -5.094)  ( 0.01,  0.02,  0.01)
168:     strbnd  ( -1.187,  -1.166,  -0.503)  ( -1.187,  -1.166,  -0.503)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.213,  -0.324,   0.223)  (  0.213,  -0.324,   0.223)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.541,   3.906,   6.307)  (  0.541,   3.906,   6.307)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 72       (  0.699,   1.329,  -0.078)  (  0.701,   1.330,  -0.076)  ( 0.13,  0.05,  0.02)
168:     bond    ( -0.821,   0.235,  -0.916)  ( -0.820,   0.235,  -0.914)  ( 0.12,  0.00,  0.17)
168:     angle   (  3.757,  -0.301,  -3.447)  (  3.757,  -0.301,  -3.447)  ( 0.01,  0.01,  0.01)
168:     strbnd  (  1.187,  -0.802,  -0.115)  (  1.187,  -0.802,  -0.115)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.090,  -0.149,   0.042)  ( -0.090,  -0.149,   0.042)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.334,   2.346,   4.357)  ( -3.333,   2.346,   4.357)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 73       ( -0.259,   0.501,  -0.385)  ( -0.258,   0.505,  -0.385)  ( 0.01,  0.17,  0.02)
168:     bond    ( -0.024,   0.218,  -0.017)  ( -0.024,   0.221,  -0.017)  ( 0.00,  0.07,  0.00)
168:     angle   (  2.747,   0.023,  -3.607)  (  2.748,   0.023,  -3.606)  ( 0.02,  0.00,  0.02)
168:     strbnd  (  0.214,   0.580,  -1.173)  (  0.214,   0.580,  -1.173)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.122,  -0.015,  -0.032)  ( -0.122,  -0.015,  -0.032)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.075,  -0.304,   4.442)  ( -3.075,  -0.304,   4.443)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 74       (  0.137,   2.170,  -1.424)  (  0.139,   2.171,  -1.421)  ( 0.03,  0.04,  0.25)
168:     bond    ( -0.028,  -0.019,  -0.043)  ( -0.027,  -0.018,  -0.040)  ( 0.00,  0.00,  0.01)
168:     angle   (  2.217,   0.907,  -1.911)  (  2.217,   0.907,  -1.911)  ( 0.01,  0.00,  0.01)
168:     strbnd  (  0.644,   0.343,   0.113)  (  0.644,   0.343,   0.113)  ( 0.01,  0.00,  0.00)
168:     torsion ( -0.820,   1.602,  -0.191)  ( -0.820,   1.602,  -0.191)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.896,  -0.668,   0.650)  ( -1.896,  -0.668,   0.650)  ( 0.00,  0.00,  0.00)
168:     electro (  0.020,   0.005,  -0.042)  (  0.020,   0.005,  -0.042)  ( 0.00,  0.00,  0.00)
168: ok 22 # gradients 
168: ok 23 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       ( -0.390,  -0.080,  -0.086)  ( -0.400,  -0.036,  -0.040)  ( 0.41,  0.35,  0.40)
168:     bond    (  6.718,   6.276,  -0.511)  (  6.723,   6.283,  -0.510)  ( 0.07,  0.11,  0.05)
168:     angle   (  7.350,   2.161,   1.524)  (  7.352,   2.163,   1.524)  ( 0.02,  0.08,  0.00)
168:     strbnd  ( -5.562,  -3.003,  -0.620)  ( -5.562,  -3.004,  -0.620)  ( 0.00,  0.02,  0.00)
168:     torsion (  0.209,  -0.213,  -0.135)  (  0.209,  -0.213,  -0.134)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.102,  -0.210,  -0.295)  (  0.085,  -0.175,  -0.250)  ( 0.17,  0.74,  1.31)
168:     vdw     ( -9.274,  -5.085,  -0.061)  ( -9.274,  -5.085,  -0.061)  ( 0.00,  0.00,  0.00)
168:     electro (  0.067,  -0.005,   0.012)  (  0.067,  -0.005,   0.012)  ( 0.00,  0.00,  0.00)
168:  2       ( -0.546,  -0.957,   0.155)  ( -0.544,  -0.941,   0.181)  ( 0.08,  1.49,  0.40)
168:     bond    (  5.859,  -4.939,   3.180)  (  5.864,  -4.931,   3.182)  ( 0.09,  0.16,  0.04)
168:     angle   ( -5.582,   0.865,  -2.937)  ( -5.580,   0.867,  -2.937)  ( 0.03,  0.13,  0.01)
168:     strbnd  (  3.439,  -2.665,   1.582)  (  3.438,  -2.666,   1.582)  ( 0.02,  0.03,  0.00)
168:     torsion ( -0.645,   0.747,   3.059)  ( -0.645,   0.747,   3.060)  ( 0.01,  0.01,  0.04)
168:     oop     (  0.034,  -0.042,  -0.149)  (  0.029,  -0.036,  -0.126)  ( 0.02,  0.03,  0.35)
168:     vdw     ( -3.802,   4.778,  -4.508)  ( -3.801,   4.778,  -4.508)  ( 0.01,  0.00,  0.00)
168:     electro (  0.151,   0.299,  -0.070)  (  0.151,   0.299,  -0.070)  ( 0.00,  0.00,  0.00)
168:  3       ( -6.918,   4.406,  -3.910)  ( -6.927,   4.418,  -3.755)  ( 0.12,  0.27,  3.97)
168:     bond    (  8.537,   8.504,   0.695)  (  8.543,   8.515,   0.695)  ( 0.06,  0.14,  0.00)
168:     angle   (-28.587,  -3.313,  -5.216)  (-28.584,  -3.311,  -5.216)  ( 0.01,  0.05,  0.00)
168:     strbnd  ( 13.895,   1.569,   1.674)  ( 13.894,   1.567,   1.674)  ( 0.01,  0.12,  0.00)
168:     torsion ( -0.070,   0.291,  -0.883)  ( -0.070,   0.291,  -0.883)  ( 0.00,  0.00,  0.04)
168:     oop     (  0.085,  -0.003,  -0.855)  (  0.070,  -0.003,  -0.700)  ( 0.13,  0.00, 13.23)
168:     vdw     ( -3.152,  -1.167,  -0.567)  ( -3.152,  -1.167,  -0.567)  ( 0.00,  0.00,  0.00)
168:     electro (  2.373,  -1.475,   1.243)  (  2.373,  -1.475,   1.243)  ( 0.00,  0.00,  0.00)
168:  4       (  6.252,  -1.262,   2.485)  (  6.292,  -1.324,   2.319)  ( 0.63,  4.92,  6.70)
168:     bond    (  5.784,   6.960,  -1.839)  (  5.788,   6.969,  -1.837)  ( 0.07,  0.13,  0.11)
168:     angle   (  0.982, -10.064,   4.762)  (  0.983, -10.062,   4.762)  ( 0.17,  0.02,  0.00)
168:     strbnd  (  2.113,   6.313,  -2.390)  (  2.113,   6.312,  -2.391)  ( 0.01,  0.02,  0.01)
168:     torsion (  0.211,  -0.053,  -0.431)  (  0.211,  -0.052,  -0.430)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.201,   0.426,   1.012)  ( -0.167,   0.355,   0.843)  ( 0.68,  3.05, 16.69)
168:     vdw     ( -0.575,  -5.329,   2.147)  ( -0.575,  -5.329,   2.147)  ( 0.00,  0.00,  0.00)
168:     electro ( -2.061,   0.485,  -0.775)  ( -2.061,   0.485,  -0.775)  ( 0.00,  0.00,  0.00)
168:  5       ( -4.110,  -0.366,  -1.743)  ( -4.120,  -0.332,  -1.682)  ( 0.25,  1.24,  3.49)
168:     bond    (  0.169,   6.053,  -2.652)  (  0.169,   6.060,  -2.651)  ( 0.00,  0.13,  0.06)
168:     angle   ( -0.570,  -0.029,  -0.102)  ( -0.569,  -0.029,  -0.102)  ( 0.04,  0.00,  0.00)
168:     strbnd  ( -0.449,  -0.737,   0.244)  ( -0.449,  -0.737,   0.244)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.351,  -0.798,  -1.802)  (  0.351,  -0.798,  -1.802)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.063,  -0.144,  -0.325)  (  0.052,  -0.118,  -0.265)  ( 0.07,  0.38,  1.92)
168:     vdw     ( -5.042,  -4.784,   2.331)  ( -5.041,  -4.784,   2.331)  ( 0.00,  0.00,  0.00)
168:     electro (  1.366,   0.073,   0.563)  (  1.366,   0.073,   0.563)  ( 0.00,  0.00,  0.00)
168:  6       ( -0.304,   0.282,  -0.195)  ( -0.308,   0.313,  -0.130)  ( 0.12,  0.89,  1.29)
168:     bond    ( -0.057,   4.697,  -1.723)  ( -0.052,   4.701,  -1.723)  ( 0.03,  0.10,  0.04)
168:     angle   (  6.722,   9.815,  -3.104)  (  6.724,   9.816,  -3.104)  ( 0.03,  0.02,  0.00)
168:     strbnd  ( -8.096,  -2.087,  -0.459)  ( -8.096,  -2.087,  -0.459)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.110,   0.259,   0.519)  ( -0.110,   0.259,   0.520)  ( 0.00,  0.00,  0.06)
168:     oop     (  0.071,  -0.161,  -0.404)  (  0.060,  -0.136,  -0.340)  ( 0.08,  0.40,  2.58)
168:     vdw     (  1.049, -12.118,   4.931)  (  1.049, -12.118,   4.931)  ( 0.03,  0.00,  0.00)
168:     electro (  0.117,  -0.122,   0.045)  (  0.117,  -0.122,   0.045)  ( 0.00,  0.00,  0.00)
168:  7       ( -0.202,   0.557,  -0.182)  ( -0.197,   0.570,  -0.158)  ( 0.09,  0.68,  0.44)
168:     bond    (  3.349,  -0.633,   0.565)  (  3.354,  -0.629,   0.566)  ( 0.16,  0.29,  0.05)
168:     angle   ( -2.010,  -5.848,   0.374)  ( -2.008,  -5.846,   0.374)  ( 0.11,  0.04,  0.01)
168:     strbnd  ( -0.379,  -1.736,   0.181)  ( -0.380,  -1.737,   0.181)  ( 0.03,  0.03,  0.00)
168:     torsion ( -0.325,   0.273,   1.507)  ( -0.325,   0.273,   1.508)  ( 0.00,  0.00,  0.09)
168:     oop     (  0.017,  -0.034,  -0.134)  (  0.015,  -0.028,  -0.112)  ( 0.00,  0.02,  0.29)
168:     vdw     ( -0.926,   8.721,  -2.733)  ( -0.925,   8.721,  -2.733)  ( 0.03,  0.00,  0.00)
168:     electro (  0.071,  -0.184,   0.059)  (  0.071,  -0.184,   0.059)  ( 0.00,  0.00,  0.00)
168:  8       ( -1.891,  -0.177,  -0.173)  ( -1.886,  -0.165,  -0.154)  ( 0.25,  0.22,  0.33)
168:     bond    ( -2.335,  12.424,  -4.470)  ( -2.330,  12.429,  -4.470)  ( 0.23,  0.04,  0.02)
168:     angle   ( -1.627,  -0.904,   0.021)  ( -1.626,  -0.902,   0.021)  ( 0.10,  0.16,  0.00)
168:     strbnd  ( -5.052,  -1.205,  -0.263)  ( -5.052,  -1.206,  -0.263)  ( 0.00,  0.01,  0.00)
168:     torsion ( -0.060,   0.134,   0.425)  ( -0.060,   0.134,   0.426)  ( 0.00,  0.00,  0.05)
168:     oop     (  0.013,  -0.035,  -0.105)  (  0.011,  -0.030,  -0.088)  ( 0.00,  0.02,  0.18)
168:     vdw     (  6.553, -10.647,   4.170)  (  6.553, -10.647,   4.170)  ( 0.00,  0.00,  0.00)
168:     electro (  0.618,   0.057,   0.050)  (  0.618,   0.057,   0.050)  ( 0.00,  0.00,  0.00)
168:  9       ( -0.774,  -1.950,  -0.631)  ( -0.746,  -1.983,  -0.746)  ( 2.17,  1.69,  7.26)
168:     bond    (  7.584,  -6.522,   1.280)  (  7.590,  -6.517,   1.281)  ( 0.08,  0.07,  0.06)
168:     angle   ( -6.868,  -3.074,   6.963)  ( -6.866,  -3.072,   6.964)  ( 0.03,  0.07,  0.01)
168:     strbnd  ( -1.384,   3.697,  -1.135)  ( -1.385,   3.696,  -1.136)  ( 0.05,  0.02,  0.01)
168:     torsion (  0.914,  -1.383,  -5.636)  (  0.914,  -1.383,  -5.635)  ( 0.00,  0.01,  0.01)
168:     oop     ( -0.133,   0.235,   0.708)  ( -0.112,   0.195,   0.591)  ( 0.28,  0.92,  8.29)
168:     vdw     ( -1.168,   4.392,  -3.048)  ( -1.168,   4.393,  -3.048)  ( 0.00,  0.00,  0.00)
168:     electro (  0.281,   0.705,   0.237)  (  0.281,   0.705,   0.237)  ( 0.00,  0.00,  0.00)
168: 10       ( -0.880,  -1.134,   0.021)  ( -0.875,  -1.120,   0.038)  ( 0.42,  1.22,  0.04)
168:     bond    (  2.250, -21.552,   7.812)  (  2.255, -21.547,   7.813)  ( 0.22,  0.02,  0.01)
168:     angle   (  0.157,  10.838,  -3.791)  (  0.158,  10.840,  -3.791)  ( 0.02,  0.02,  0.01)
168:     strbnd  ( -4.774,   3.240,  -1.394)  ( -4.774,   3.239,  -1.394)  ( 0.00,  0.01,  0.00)
168:     torsion ( -0.412,   1.059,   3.327)  ( -0.412,   1.059,   3.328)  ( 0.00,  0.02,  0.04)
168:     oop     (  0.001,  -0.020,  -0.019)  ( -0.000,  -0.013,  -0.004)  ( 0.00,  0.01,  0.03)
168:     vdw     (  1.632,   4.936,  -5.898)  (  1.632,   4.937,  -5.898)  ( 0.01,  0.01,  0.00)
168:     electro (  0.267,   0.365,  -0.016)  (  0.267,   0.365,  -0.016)  ( 0.00,  0.00,  0.00)
168: 11       ( -0.274,  -0.454,  -0.157)  ( -0.317,  -0.358,  -0.074)  ( 1.19,  4.38,  1.30)
168:     bond    (-16.382,  -5.258,  -0.908)  (-16.377,  -5.253,  -0.907)  ( 0.03,  0.09,  0.07)
168:     angle   (-11.115,   1.090,   2.569)  (-11.112,   1.092,   2.569)  ( 0.02,  0.19,  0.01)
168:     strbnd  ( 22.133,   1.950,   2.757)  ( 22.132,   1.949,   2.757)  ( 0.00,  0.03,  0.00)
168:     torsion ( -0.093,   0.026,  -1.627)  ( -0.093,   0.026,  -1.626)  ( 0.00,  0.00,  0.06)
168:     oop     (  0.396,  -0.643,  -0.208)  (  0.346,  -0.553,  -0.127)  ( 2.00,  5.78,  1.67)
168:     vdw     (  4.671,   2.284,  -2.768)  (  4.672,   2.284,  -2.768)  ( 0.00,  0.00,  0.00)
168:     electro (  0.115,   0.097,   0.028)  (  0.115,   0.097,   0.028)  ( 0.00,  0.00,  0.00)
168: 12       ( -0.438,   1.369,  -0.101)  ( -0.434,   1.364,  -0.123)  ( 0.17,  0.40,  0.22)
168:     bond    ( -0.083,  -1.551,   0.585)  ( -0.083,  -1.548,   0.586)  ( 0.00,  0.21,  0.03)
168:     angle   ( -2.409,   0.039,  -0.237)  ( -2.408,   0.039,  -0.237)  ( 0.03,  0.00,  0.00)
168:     strbnd  (  0.317,   2.635,  -1.018)  (  0.317,   2.635,  -1.018)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.335,   0.971,   2.518)  ( -0.335,   0.971,   2.518)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.020,   0.060,   0.155)  ( -0.017,   0.051,   0.132)  ( 0.01,  0.05,  0.36)
168:     vdw     (  1.947,  -0.339,  -2.146)  (  1.947,  -0.339,  -2.146)  ( 0.01,  0.00,  0.00)
168:     electro (  0.146,  -0.445,   0.041)  (  0.146,  -0.445,   0.041)  ( 0.00,  0.00,  0.00)
168: 13       (  1.701,   2.579,  -0.525)  (  1.727,   2.539,  -0.665)  ( 1.54,  1.55,  7.37)
168:     bond    (-10.578,  16.134,  -6.570)  (-10.572,  16.139,  -6.569)  ( 0.06,  0.03,  0.01)
168:     angle   (  3.774,  -9.877,   3.575)  (  3.776,  -9.875,   3.575)  ( 0.06,  0.02,  0.00)
168:     strbnd  (  6.607,   8.014,  -1.786)  (  6.607,   8.014,  -1.786)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.139,  -0.606,  -1.888)  (  0.139,  -0.606,  -1.887)  ( 0.00,  0.01,  0.06)
168:     oop     ( -0.104,   0.267,   0.810)  ( -0.086,   0.220,   0.668)  ( 0.18,  1.25, 11.54)
168:     vdw     (  2.473, -10.532,   5.124)  (  2.473, -10.532,   5.124)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.611,  -0.821,   0.209)  ( -0.611,  -0.821,   0.209)  ( 0.00,  0.00,  0.00)
168: 14       (  0.986,   0.151,  -0.043)  (  0.987,   0.154,  -0.045)  ( 0.11,  0.04,  0.01)
168:     bond    (  0.027,   1.931,  -0.640)  (  0.027,   1.934,  -0.640)  ( 0.00,  0.18,  0.02)
168:     angle   ( -2.454,  -0.061,  -0.290)  ( -2.454,  -0.061,  -0.290)  ( 0.03,  0.00,  0.00)
168:     strbnd  ( -0.157,  -0.599,   0.177)  ( -0.157,  -0.599,   0.177)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.008,  -0.021,  -0.062)  (  0.008,  -0.021,  -0.062)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.002,   0.005,   0.014)  ( -0.001,   0.004,   0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.894,  -1.054,   0.744)  (  3.894,  -1.054,   0.744)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.330,  -0.049,   0.015)  ( -0.330,  -0.049,   0.015)  ( 0.00,  0.00,  0.00)
168: 15       ( -0.314,   0.296,   0.066)  ( -0.314,   0.306,   0.088)  ( 0.02,  0.27,  0.15)
168:     bond    (  0.221,  -0.141,   0.077)  (  0.224,  -0.139,   0.077)  ( 0.07,  0.02,  0.00)
168:     angle   (  4.781,   6.809,  -1.605)  (  4.781,   6.810,  -1.605)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -0.896,   1.110,  -0.480)  ( -0.896,   1.110,  -0.480)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.065,  -0.159,  -0.479)  (  0.065,  -0.159,  -0.479)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.019,  -0.046,  -0.139)  (  0.016,  -0.039,  -0.117)  ( 0.01,  0.03,  0.30)
168:     vdw     ( -4.637,  -7.161,   2.713)  ( -4.637,  -7.161,   2.713)  ( 0.00,  0.00,  0.00)
168:     electro (  0.133,  -0.115,  -0.022)  (  0.133,  -0.115,  -0.022)  ( 0.00,  0.00,  0.00)
168: 16       ( 12.569,   0.466,   4.456)  ( 12.606,   0.357,   4.669)  ( 0.29,  5.06,  4.80)
168:     bond    ( 11.932,   3.001,  15.852)  ( 11.937,   3.005,  15.854)  ( 0.04,  0.13,  0.01)
168:     angle   ( 23.478,  14.321,  -5.626)  ( 23.480,  14.322,  -5.625)  ( 0.01,  0.01,  0.02)
168:     strbnd  (-17.338, -10.628,  -0.306)  (-17.339, -10.629,  -0.306)  ( 0.01,  0.01,  0.01)
168:     torsion (  2.457,  -3.717,  -2.036)  (  2.457,  -3.717,  -2.036)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.175,   1.180,  -2.156)  ( -0.144,   1.066,  -1.945)  ( 0.54,  9.63,  9.80)
168:     vdw     ( -3.584,  -3.576,   0.274)  ( -3.584,  -3.576,   0.274)  ( 0.00,  0.00,  0.00)
168:     electro ( -4.202,  -0.115,  -1.547)  ( -4.202,  -0.115,  -1.547)  ( 0.00,  0.00,  0.00)
168: 17       ( -0.127,  -0.381,   0.161)  ( -0.130,  -0.361,   0.202)  ( 0.04,  0.77,  0.67)
168:     bond    ( -1.611,  -0.017,   3.957)  ( -1.609,  -0.012,   3.962)  ( 0.12,  0.01,  0.12)
168:     angle   (  6.180,   1.067,  -5.100)  (  6.182,   1.069,  -5.098)  ( 0.03,  0.17,  0.04)
168:     strbnd  (  0.100,  -7.392,   3.328)  (  0.099,  -7.392,   3.327)  ( 0.00,  0.01,  0.03)
168:     torsion (  0.098,  -0.377,   0.788)  (  0.098,  -0.377,   0.788)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.041,  -0.083,  -0.211)  (  0.034,  -0.069,  -0.175)  ( 0.03,  0.12,  0.75)
168:     vdw     ( -4.964,   6.311,  -2.568)  ( -4.963,   6.311,  -2.568)  ( 0.00,  0.00,  0.00)
168:     electro (  0.029,   0.109,  -0.034)  (  0.029,   0.109,  -0.034)  ( 0.00,  0.00,  0.00)
168: 18       (  2.026,   0.720,  -0.162)  (  2.029,   0.721,  -0.163)  ( 0.15,  0.06,  0.02)
168:     bond    (  2.427,  -1.578,   1.180)  (  2.429,  -1.577,   1.181)  ( 0.09,  0.06,  0.04)
168:     angle   (  0.938,   1.300,  -0.193)  (  0.938,   1.300,  -0.193)  ( 0.02,  0.03,  0.00)
168:     strbnd  (  0.253,   0.443,  -0.086)  (  0.253,   0.443,  -0.086)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.194,   0.249,   0.730)  ( -0.194,   0.249,   0.731)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.004,   0.005,   0.016)  ( -0.004,   0.005,   0.014)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.726,   0.545,  -1.869)  ( -0.726,   0.545,  -1.869)  ( 0.01,  0.01,  0.00)
168:     electro ( -0.668,  -0.244,   0.060)  ( -0.668,  -0.244,   0.060)  ( 0.00,  0.00,  0.00)
168: 19       (  2.870,   0.328,  -1.984)  (  2.869,   0.381,  -2.042)  ( 0.04,  1.74,  2.90)
168:     bond    ( 14.557,  -7.075, -16.796)  ( 14.561,  -7.071, -16.792)  ( 0.03,  0.06,  0.03)
168:     angle   ( -6.287,   1.336,   9.984)  ( -6.284,   1.338,   9.986)  ( 0.04,  0.15,  0.02)
168:     strbnd  ( -1.105,  -2.672,   1.853)  ( -1.106,  -2.672,   1.852)  ( 0.07,  0.04,  0.04)
168:     torsion ( -2.492,   2.882,  -3.676)  ( -2.492,   2.882,  -3.676)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.033,  -0.539,   0.714)  (  0.027,  -0.492,   0.651)  ( 0.02,  2.58,  4.51)
168:     vdw     ( -0.883,   6.505,   5.249)  ( -0.883,   6.505,   5.250)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.953,  -0.110,   0.686)  ( -0.953,  -0.110,   0.686)  ( 0.00,  0.00,  0.00)
168: 20       (  1.141,   5.323,  -0.149)  (  1.157,   5.345,  -0.248)  ( 1.36,  0.42,  1.47)
168:     bond    ( -3.175,  21.247,  -4.289)  ( -3.171,  21.251,  -4.285)  ( 0.12,  0.02,  0.11)
168:     angle   ( -1.211, -12.477,   2.194)  ( -1.209, -12.475,   2.196)  ( 0.17,  0.02,  0.08)
168:     strbnd  ( -3.415,  -1.229,   2.715)  ( -3.416,  -1.230,   2.715)  ( 0.04,  0.07,  0.01)
168:     torsion ( -0.125,   0.194,   3.424)  ( -0.125,   0.195,   3.424)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.155,  -0.246,   0.892)  ( -0.144,  -0.229,   0.787)  ( 0.17,  0.40,  9.32)
168:     vdw     (  9.608,  -0.387,  -5.167)  (  9.608,  -0.387,  -5.167)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.385,  -1.779,   0.082)  ( -0.385,  -1.779,   0.082)  ( 0.00,  0.00,  0.00)
168: 21       ( -0.002,  -0.008,  -0.022)  (  0.000,  -0.007,  -0.021)  ( 0.00,  0.00,  0.00)
168:     bond    (  1.613,  -1.085,   0.142)  (  1.615,  -1.084,   0.142)  ( 0.14,  0.10,  0.00)
168:     angle   ( -3.259,  -5.157,  -2.297)  ( -3.259,  -5.157,  -2.296)  ( 0.01,  0.01,  0.02)
168:     strbnd  ( -0.614,   0.250,  -1.435)  ( -0.614,   0.250,  -1.435)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.085,   0.141,   0.107)  (  0.085,   0.141,   0.107)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.173,   5.843,   3.461)  (  2.173,   5.843,   3.461)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 22       (  0.001,   0.003,  -0.029)  (  0.002,   0.004,  -0.025)  ( 0.00,  0.00,  0.01)
168:     bond    ( -0.285,   1.036,  -3.315)  ( -0.285,   1.036,  -3.312)  ( 0.00,  0.03,  0.09)
168:     angle   (  0.181,  -1.068,  -0.350)  (  0.182,  -1.067,  -0.350)  ( 0.01,  0.05,  0.00)
168:     strbnd  (  0.973,  -1.118,   0.103)  (  0.973,  -1.118,   0.103)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.351,  -0.744,  -0.263)  (  0.351,  -0.744,  -0.263)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.220,   1.896,   3.796)  ( -1.220,   1.896,   3.796)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 23       ( -0.564,  -2.361,  -0.607)  ( -0.559,  -2.355,  -0.601)  ( 0.27,  0.24,  0.37)
168:     bond    ( -3.127, -17.812,   3.460)  ( -3.123, -17.808,   3.465)  ( 0.13,  0.02,  0.13)
168:     angle   (  0.202,   7.188,  -7.171)  (  0.204,   7.190,  -7.169)  ( 0.04,  0.03,  0.02)
168:     strbnd  (  3.369,  -1.380,  -2.585)  (  3.367,  -1.380,  -2.585)  ( 0.04,  0.05,  0.01)
168:     torsion ( -0.244,   1.380,   2.916)  ( -0.244,   1.381,   2.917)  ( 0.00,  0.01,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.952,   7.510,   2.573)  ( -0.952,   7.510,   2.573)  ( 0.00,  0.00,  0.00)
168:     electro (  0.189,   0.752,   0.199)  (  0.189,   0.752,   0.199)  ( 0.00,  0.00,  0.00)
168: 24       (  0.007,  -0.018,  -0.003)  (  0.008,  -0.016,  -0.001)  ( 0.00,  0.00,  0.00)
168:     bond    (  0.060,   1.792,   1.597)  (  0.060,   1.794,   1.599)  ( 0.00,  0.10,  0.09)
168:     angle   ( -3.575,  -1.364,   1.663)  ( -3.575,  -1.363,   1.664)  ( 0.02,  0.02,  0.02)
168:     strbnd  ( -0.521,   0.527,  -1.117)  ( -0.521,   0.527,  -1.117)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.187,  -0.049,   0.048)  (  0.187,  -0.049,   0.048)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.856,  -0.925,  -2.194)  (  3.857,  -0.925,  -2.194)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 25       ( -2.189,   0.946,   0.748)  ( -2.183,   0.951,   0.754)  ( 0.26,  0.50,  0.41)
168:     bond    (-13.633,   0.941,  12.416)  (-13.629,   0.945,  12.421)  ( 0.03,  0.39,  0.04)
168:     angle   (  2.350,   2.416,  -9.408)  (  2.353,   2.418,  -9.406)  ( 0.09,  0.08,  0.02)
168:     strbnd  (  0.055,   4.163,  -0.501)  (  0.054,   4.162,  -0.502)  ( 0.00,  0.03,  0.04)
168:     torsion (  2.065,  -2.248,   1.183)  (  2.065,  -2.248,   1.183)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  6.223,  -3.991,  -2.667)  (  6.223,  -3.991,  -2.667)  ( 0.00,  0.00,  0.00)
168:     electro (  0.752,  -0.335,  -0.274)  (  0.752,  -0.335,  -0.274)  ( 0.00,  0.00,  0.00)
168: 26       ( -0.004,  -0.009,   0.017)  ( -0.004,  -0.008,   0.020)  ( 0.00,  0.00,  0.01)
168:     bond    ( -0.508,   1.114,  -2.671)  ( -0.508,   1.115,  -2.668)  ( 0.01,  0.04,  0.10)
168:     angle   ( -3.386,  -1.138,   0.169)  ( -3.386,  -1.138,   0.170)  ( 0.02,  0.04,  0.00)
168:     strbnd  ( -0.285,   1.027,   0.757)  ( -0.285,   1.027,   0.757)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.469,   0.506,   0.301)  ( -0.469,   0.506,   0.301)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.645,  -1.519,   1.461)  (  4.645,  -1.518,   1.461)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 27       (-12.122,  -7.423,  -2.247)  (-12.117,  -7.418,  -2.244)  ( 0.05,  0.07,  0.13)
168:     bond    (-15.148,  -5.941, -10.039)  (-15.143,  -5.937, -10.037)  ( 0.03,  0.08,  0.02)
168:     angle   ( -5.200,  -8.059,   8.744)  ( -5.198,  -8.058,   8.745)  ( 0.03,  0.02,  0.02)
168:     strbnd  ( -1.543,  -1.202,   1.549)  ( -1.544,  -1.203,   1.548)  ( 0.04,  0.04,  0.03)
168:     torsion ( -0.831,   0.963,  -3.227)  ( -0.831,   0.963,  -3.226)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  6.577,   4.313,  -0.037)  (  6.577,   4.313,  -0.037)  ( 0.00,  0.00,  0.00)
168:     electro (  4.023,   2.503,   0.763)  (  4.023,   2.503,   0.763)  ( 0.00,  0.00,  0.00)
168: 28       (  0.001,   0.014,  -0.042)  (  0.002,   0.015,  -0.039)  ( 0.00,  0.00,  0.01)
168:     bond    (  0.463,  -1.202,   2.694)  (  0.464,  -1.202,   2.697)  ( 0.00,  0.05,  0.10)
168:     angle   (  0.035,  -0.321,  -0.149)  (  0.036,  -0.320,  -0.149)  ( 0.00,  0.01,  0.00)
168:     strbnd  ( -0.222,  -0.567,  -1.132)  ( -0.222,  -0.567,  -1.132)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.438,  -1.586,  -0.782)  (  0.438,  -1.586,  -0.782)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.714,   3.690,  -0.674)  ( -0.714,   3.690,  -0.674)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 29       (  0.008,   0.030,   0.008)  (  0.008,   0.032,   0.009)  ( 0.00,  0.01,  0.00)
168:     bond    ( -0.087,  -1.217,  -1.051)  ( -0.087,  -1.215,  -1.050)  ( 0.00,  0.16,  0.14)
168:     angle   ( -0.252,   0.112,  -0.110)  ( -0.251,   0.113,  -0.110)  ( 0.02,  0.00,  0.00)
168:     strbnd  (  0.115,   0.045,   1.331)  (  0.115,   0.045,   1.331)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.210,   0.236,  -0.255)  ( -0.210,   0.236,  -0.255)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.441,   0.855,   0.093)  (  0.441,   0.855,   0.093)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 30       ( -0.057,   0.017,   0.002)  ( -0.054,   0.018,   0.002)  ( 0.02,  0.00,  0.00)
168:     bond    ( -1.435,   0.851,  -0.093)  ( -1.433,   0.852,  -0.093)  ( 0.17,  0.08,  0.00)
168:     angle   ( -0.122,  -0.244,  -0.343)  ( -0.122,  -0.243,  -0.342)  ( 0.00,  0.01,  0.02)
168:     strbnd  (  0.598,  -0.582,   1.034)  (  0.598,  -0.582,   1.034)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.027,  -0.078,  -0.298)  ( -0.027,  -0.078,  -0.297)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.930,   0.070,  -0.299)  (  0.930,   0.070,  -0.299)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 31       (  0.005,  -0.020,   0.028)  (  0.006,  -0.019,   0.031)  ( 0.00,  0.00,  0.01)
168:     bond    (  0.312,  -0.902,   2.849)  (  0.312,  -0.902,   2.852)  ( 0.00,  0.03,  0.11)
168:     angle   ( -0.502,   0.107,   0.089)  ( -0.501,   0.107,   0.089)  ( 0.03,  0.01,  0.00)
168:     strbnd  ( -0.940,   0.677,  -0.469)  ( -0.940,   0.677,  -0.469)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.235,   1.160,   0.502)  ( -1.235,   1.160,   0.502)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.370,  -1.062,  -2.942)  (  2.370,  -1.062,  -2.942)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 32       (  0.594,   0.396,   0.458)  (  0.597,   0.399,   0.458)  ( 0.16,  0.09,  0.04)
168:     bond    ( -0.021,  -0.018,   0.009)  ( -0.019,  -0.016,   0.009)  ( 0.00,  0.00,  0.00)
168:     angle   ( -0.160,   0.222,   0.062)  ( -0.160,   0.222,   0.062)  ( 0.00,  0.01,  0.00)
168:     strbnd  ( -0.521,   0.030,  -0.937)  ( -0.521,   0.030,  -0.938)  ( 0.00,  0.00,  0.01)
168:     torsion (  0.592,  -0.069,   1.057)  (  0.592,  -0.069,   1.057)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.902,   0.369,   0.423)  (  0.902,   0.369,   0.423)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.197,  -0.138,  -0.156)  ( -0.197,  -0.138,  -0.156)  ( 0.00,  0.00,  0.00)
168: 33       ( 11.993,  -9.102,   3.831)  ( 12.004,  -9.096,   3.748)  ( 0.09,  0.07,  2.16)
168:     bond    ( -1.616,  -9.765,   0.189)  ( -1.616,  -9.756,   0.189)  ( 0.01,  0.10,  0.00)
168:     angle   ( 20.636,  -3.367,   2.623)  ( 20.637,  -3.367,   2.623)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  0.680,   2.049,   0.006)  (  0.680,   2.049,   0.006)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.339,   0.113,   2.931)  ( -0.339,   0.113,   2.931)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.045,   0.015,   0.377)  ( -0.035,   0.012,   0.294)  ( 0.04,  0.00,  3.13)
168:     vdw     ( -3.314,  -1.163,  -1.055)  ( -3.314,  -1.163,  -1.055)  ( 0.00,  0.00,  0.00)
168:     electro ( -4.008,   3.016,  -1.242)  ( -4.008,   3.016,  -1.242)  ( 0.00,  0.00,  0.00)
168: 34       ( -0.062,  -2.957,   1.492)  ( -0.051,  -2.954,   1.456)  ( 0.07,  0.11,  2.40)
168:     bond    ( -3.927,   2.786,  -0.594)  ( -3.921,   2.789,  -0.594)  ( 0.15,  0.13,  0.00)
168:     angle   ( 16.132,  -2.853,   2.371)  ( 16.132,  -2.852,   2.372)  ( 0.00,  0.05,  0.01)
168:     strbnd  ( -0.845,   3.072,  -0.258)  ( -0.845,   3.072,  -0.258)  ( 0.00,  0.01,  0.00)
170:     vdw     (-46.373,  28.939,  39.697)  (-46.372,  28.940,  39.698)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       ( 27.266, -298.242,  97.504)  ( 27.307, -298.201,  97.544)  ( 0.15,  0.01,  0.04)
170:     bond    ( 74.008, -270.205,  57.230)  ( 74.018, -270.176,  57.253)  ( 0.01,  0.01,  0.04)
170:     angle   (  0.145,   0.617,   0.285)  (  0.154,   0.629,   0.299)  ( 0.13,  0.74,  0.40)
170:     torsion ( -0.498,   0.281,   0.285)  ( -0.487,   0.286,   0.290)  ( 0.53,  0.14,  0.15)
170:     oop     ( -0.016,   0.005,   0.008)  ( -0.007,  -0.000,   0.003)  ( 0.02,  0.00,  0.00)
170:     vdw     (-46.373, -28.940,  39.697)  (-46.372, -28.940,  39.698)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (186.884, -202.167, 156.695)  (186.928, -202.126, 156.738)  ( 0.02,  0.02,  0.03)
170:     bond    (168.051, -212.764,  92.745)  (168.078, -212.748,  92.764)  ( 0.02,  0.01,  0.02)
170:     angle   (  0.692,   0.134,   0.038)  (  0.706,   0.143,   0.050)  ( 0.99,  0.12,  0.04)
170:     torsion (  0.221,  -0.320,  -0.279)  (  0.226,  -0.310,  -0.273)  ( 0.11,  0.32,  0.17)
170:     oop     (  0.003,  -0.009,  -0.008)  ( -0.001,  -0.003,  -0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 17.918,  10.792,  64.199)  ( 17.919,  10.792,  64.200)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (202.096, -156.771, -186.980)  (202.126, -156.738, -186.928)  ( 0.02,  0.02,  0.03)
170:     bond    (212.732, -92.784, -168.105)  (212.748, -92.764, -168.078)  ( 0.01,  0.02,  0.02)
170:     angle   ( -0.152,  -0.061,  -0.721)  ( -0.143,  -0.050,  -0.706)  ( 0.14,  0.07,  1.04)
170:     torsion (  0.300,   0.267,  -0.231)  (  0.310,   0.273,  -0.226)  ( 0.30,  0.16,  0.12)
170:     oop     (  0.008,   0.007,  -0.003)  (  0.003,   0.003,   0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.793, -64.201, -17.920)  (-10.792, -64.200, -17.919)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       (-97.594,  27.266, -298.242)  (-97.544,  27.307, -298.201)  ( 0.05,  0.15,  0.01)
170:     bond    (-57.277,  74.008, -270.205)  (-57.253,  74.018, -270.176)  ( 0.04,  0.01,  0.01)
170:     angle   ( -0.313,   0.145,   0.617)  ( -0.299,   0.154,   0.629)  ( 0.44,  0.13,  0.74)
170:     torsion ( -0.295,  -0.498,   0.281)  ( -0.290,  -0.487,   0.286)  ( 0.16,  0.53,  0.14)
170:     oop     ( -0.008,  -0.016,   0.005)  ( -0.003,  -0.007,  -0.000)  ( 0.00,  0.02,  0.00)
170:     vdw     (-39.700, -46.373, -28.940)  (-39.698, -46.372, -28.940)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       (202.096, -156.771, 186.884)  (202.126, -156.738, 186.928)  ( 0.02,  0.02,  0.02)
170:     bond    (212.732, -92.784, 168.051)  (212.748, -92.764, 168.078)  ( 0.01,  0.02,  0.02)
170:     angle   ( -0.152,  -0.061,   0.692)  ( -0.143,  -0.050,   0.706)  ( 0.14,  0.07,  0.99)
170:     torsion (  0.300,   0.267,   0.221)  (  0.310,   0.273,   0.226)  ( 0.30,  0.16,  0.11)
170:     oop     (  0.008,   0.007,   0.003)  (  0.003,   0.003,  -0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.793, -64.201,  17.918)  (-10.792, -64.200,  17.919)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       (-281.337, 143.041,  -0.049)  (-281.292, 143.058,   0.000)  ( 0.02,  0.01,  0.24)
170:     bond    (-223.783, 177.585,  -0.026)  (-223.752, 177.591,   0.000)  ( 0.01,  0.00,  0.07)
170:     angle   ( -0.129,   0.404,  -0.016)  ( -0.115,   0.410,   0.000)  ( 0.17,  0.23,  0.03)
170:     torsion (  0.101,   0.325,  -0.005)  (  0.104,   0.338,   0.000)  ( 0.03,  0.44,  0.00)
170:     oop     (  0.006,   0.012,  -0.000)  (  0.004,   0.005,  -0.000)  ( 0.00,  0.01,  0.00)
170:     vdw     (-57.533, -35.285,  -0.002)  (-57.532, -35.285,  -0.000)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       (156.695, -186.980, -202.167)  (156.738, -186.928, -202.126)  ( 0.03,  0.03,  0.02)
170:     bond    ( 92.745, -168.105, -212.764)  ( 92.764, -168.078, -212.748)  ( 0.02,  0.02,  0.01)
170:     angle   (  0.038,  -0.721,   0.134)  (  0.050,  -0.706,   0.143)  ( 0.04,  1.04,  0.12)
170:     torsion ( -0.279,  -0.231,  -0.320)  ( -0.273,  -0.226,  -0.310)  ( 0.17,  0.12,  0.32)
170:     oop     ( -0.008,  -0.003,  -0.009)  ( -0.003,   0.001,  -0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 64.199, -17.920,  10.792)  ( 64.200, -17.919,  10.792)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       (-186.980, 202.096, 156.695)  (-186.928, 202.126, 156.738)  ( 0.03,  0.02,  0.03)
170:     bond    (-168.105, 212.732,  92.745)  (-168.078, 212.748,  92.764)  ( 0.02,  0.01,  0.02)
170:     angle   ( -0.721,  -0.152,   0.038)  ( -0.706,  -0.143,   0.050)  ( 1.04,  0.14,  0.04)
170:     torsion ( -0.231,   0.300,  -0.279)  ( -0.226,   0.310,  -0.273)  ( 0.12,  0.30,  0.17)
170:     oop     ( -0.003,   0.008,  -0.008)  (  0.001,   0.003,  -0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     (-17.920, -10.793,  64.199)  (-17.919, -10.792,  64.200)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       (-97.594,  27.266, 298.150)  (-97.544,  27.307, 298.201)  ( 0.05,  0.15,  0.02)
170:     bond    (-57.277,  74.008, 270.148)  (-57.253,  74.018, 270.176)  ( 0.04,  0.01,  0.01)
170:     angle   ( -0.313,   0.145,  -0.641)  ( -0.299,   0.154,  -0.629)  ( 0.44,  0.13,  0.77)
170:     torsion ( -0.295,  -0.498,  -0.291)  ( -0.290,  -0.487,  -0.286)  ( 0.16,  0.53,  0.15)
170:     oop     ( -0.008,  -0.016,  -0.005)  ( -0.003,  -0.007,   0.000)  ( 0.00,  0.02,  0.00)
170:     vdw     (-39.700, -46.373,  28.939)  (-39.698, -46.372,  28.940)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       ( 97.504,  27.266, -298.242)  ( 97.544,  27.307, -298.201)  ( 0.04,  0.15,  0.01)
170:     bond    ( 57.230,  74.008, -270.205)  ( 57.253,  74.018, -270.176)  ( 0.04,  0.01,  0.01)
170:     angle   (  0.285,   0.145,   0.617)  (  0.299,   0.154,   0.629)  ( 0.40,  0.13,  0.74)
170:     torsion (  0.285,  -0.498,   0.281)  (  0.290,  -0.487,   0.286)  ( 0.15,  0.53,  0.14)
170:     oop     (  0.008,  -0.016,   0.005)  (  0.003,  -0.007,  -0.000)  ( 0.00,  0.02,  0.00)
170:     vdw     ( 39.697, -46.373, -28.940)  ( 39.698, -46.372, -28.940)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       (156.695, 186.884, -202.167)  (156.738, 186.928, -202.126)  ( 0.03,  0.02,  0.02)
170:     bond    ( 92.745, 168.051, -212.764)  ( 92.764, 168.078, -212.748)  ( 0.02,  0.02,  0.01)
170:     angle   (  0.038,   0.692,   0.134)  (  0.050,   0.706,   0.143)  ( 0.04,  0.99,  0.12)
170:     torsion ( -0.279,   0.221,  -0.320)  ( -0.273,   0.226,  -0.310)  ( 0.17,  0.11,  0.32)
170:     oop     ( -0.008,   0.003,  -0.009)  ( -0.003,  -0.001,  -0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 64.199,  17.918,  10.792)  ( 64.200,  17.919,  10.792)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       (143.041,  -0.049, 281.242)  (143.058,  -0.000, 281.292)  ( 0.01,  0.24,  0.02)
170:     bond    (177.585,  -0.026, 223.722)  (177.591,   0.000, 223.752)  ( 0.00,  0.07,  0.01)
170:     angle   (  0.404,  -0.016,   0.102)  (  0.410,  -0.000,   0.115)  ( 0.23,  0.03,  0.14)
170:     torsion (  0.325,  -0.005,  -0.107)  (  0.338,   0.000,  -0.104)  ( 0.44,  0.00,  0.03)
170:     oop     (  0.012,  -0.000,  -0.006)  (  0.005,   0.000,  -0.004)  ( 0.01,  0.00,  0.00)
170:     vdw     (-35.285,  -0.002,  57.531)  (-35.285,   0.000,  57.532)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       (202.096, 156.695, -186.980)  (202.126, 156.738, -186.928)  ( 0.02,  0.03,  0.03)
170:     bond    (212.732,  92.745, -168.105)  (212.748,  92.764, -168.078)  ( 0.01,  0.02,  0.02)
170:     angle   ( -0.152,   0.038,  -0.721)  ( -0.143,   0.050,  -0.706)  ( 0.14,  0.04,  1.04)
170:     torsion (  0.300,  -0.279,  -0.231)  (  0.310,  -0.273,  -0.226)  ( 0.30,  0.17,  0.12)
170:     oop     (  0.008,  -0.008,  -0.003)  (  0.003,  -0.003,   0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.793,  64.199, -17.920)  (-10.792,  64.200, -17.919)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       (-27.328, -298.242,  97.504)  (-27.307, -298.201,  97.544)  ( 0.08,  0.01,  0.04)
170:     bond    (-74.029, -270.205,  57.230)  (-74.018, -270.176,  57.253)  ( 0.01,  0.01,  0.04)
170:     angle   ( -0.163,   0.617,   0.285)  ( -0.154,   0.629,   0.299)  ( 0.14,  0.74,  0.40)
170:     torsion (  0.476,   0.281,   0.285)  (  0.487,   0.286,   0.290)  ( 0.51,  0.14,  0.15)
170:     oop     (  0.016,   0.005,   0.008)  (  0.007,  -0.000,   0.003)  ( 0.01,  0.00,  0.00)
170:     vdw     ( 46.371, -28.940,  39.697)  ( 46.372, -28.940,  39.698)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 25       (-97.594, -27.328, -298.242)  (-97.544, -27.307, -298.201)  ( 0.05,  0.08,  0.01)
170:     bond    (-57.277, -74.029, -270.205)  (-57.253, -74.018, -270.176)  ( 0.04,  0.01,  0.01)
170:     angle   ( -0.313,  -0.163,   0.617)  ( -0.299,  -0.154,   0.629)  ( 0.44,  0.14,  0.74)
170:     torsion ( -0.295,   0.476,   0.281)  ( -0.290,   0.487,   0.286)  ( 0.16,  0.51,  0.14)
170:     oop     ( -0.008,   0.016,   0.005)  ( -0.003,   0.007,  -0.000)  ( 0.00,  0.01,  0.00)
170:     vdw     (-39.700,  46.371, -28.940)  (-39.698,  46.372, -28.940)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 26       (-186.980, -202.167, 156.695)  (-186.928, -202.126, 156.738)  ( 0.03,  0.02,  0.03)
170:     bond    (-168.105, -212.764,  92.745)  (-168.078, -212.748,  92.764)  ( 0.02,  0.01,  0.02)
170:     angle   ( -0.721,   0.134,   0.038)  ( -0.706,   0.143,   0.050)  ( 1.04,  0.12,  0.04)
170:     torsion ( -0.231,  -0.320,  -0.279)  ( -0.226,  -0.310,  -0.273)  ( 0.12,  0.32,  0.17)
170:     oop     ( -0.003,  -0.009,  -0.008)  (  0.001,  -0.003,  -0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     (-17.920,  10.792,  64.199)  (-17.919,  10.792,  64.200)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 27       (202.096, 156.695, 186.884)  (202.126, 156.738, 186.928)  ( 0.02,  0.03,  0.02)
170:     bond    (212.732,  92.745, 168.051)  (212.748,  92.764, 168.078)  ( 0.01,  0.02,  0.02)
170:     angle   ( -0.152,   0.038,   0.692)  ( -0.143,   0.050,   0.706)  ( 0.14,  0.04,  0.99)
170:     torsion (  0.300,  -0.279,   0.221)  (  0.310,  -0.273,   0.226)  ( 0.30,  0.17,  0.11)
170:     oop     (  0.008,  -0.008,   0.003)  (  0.003,  -0.003,  -0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.793,  64.199,  17.918)  (-10.792,  64.200,  17.919)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 28       (-281.337, -143.091,  -0.049)  (-281.292, -143.058,   0.000)  ( 0.02,  0.02,  0.24)
170:     bond    (-223.783, -177.596,  -0.026)  (-223.752, -177.591,   0.000)  ( 0.01,  0.00,  0.07)
170:     angle   ( -0.129,  -0.415,  -0.016)  ( -0.115,  -0.410,   0.000)  ( 0.17,  0.23,  0.03)
170:     torsion (  0.101,  -0.352,  -0.005)  (  0.104,  -0.338,  -0.000)  ( 0.03,  0.48,  0.00)
170:     oop     (  0.006,  -0.013,  -0.000)  (  0.004,  -0.005,  -0.000)  ( 0.00,  0.01,  0.00)
170:     vdw     (-57.533,  35.285,  -0.002)  (-57.532,  35.285,   0.000)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 29       ( 97.504, -27.328, -298.242)  ( 97.544, -27.307, -298.201)  ( 0.04,  0.08,  0.01)
170:     bond    ( 57.230, -74.029, -270.205)  ( 57.253, -74.018, -270.176)  ( 0.04,  0.01,  0.01)
170:     angle   (  0.285,  -0.163,   0.617)  (  0.299,  -0.154,   0.629)  ( 0.40,  0.14,  0.74)
170:     torsion (  0.285,   0.476,   0.281)  (  0.290,   0.487,   0.286)  ( 0.15,  0.51,  0.14)
170:     oop     (  0.008,   0.016,   0.005)  (  0.003,   0.007,  -0.000)  ( 0.00,  0.01,  0.00)
170:     vdw     ( 39.697,  46.371, -28.940)  ( 39.698,  46.372, -28.940)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 30       (281.242, 143.041,  -0.049)  (281.292, 143.058,   0.000)  ( 0.02,  0.01,  0.24)
170:     bond    (223.722, 177.585,  -0.026)  (223.752, 177.591,   0.000)  ( 0.01,  0.00,  0.07)
170:     angle   (  0.102,   0.404,  -0.016)  (  0.115,   0.410,   0.000)  ( 0.14,  0.23,  0.03)
170:     torsion ( -0.107,   0.325,  -0.005)  ( -0.104,   0.338,   0.000)  ( 0.03,  0.44,  0.00)
170:     oop     ( -0.006,   0.012,  -0.000)  ( -0.004,   0.005,   0.000)  ( 0.00,  0.01,  0.00)
170:     vdw     ( 57.531, -35.285,  -0.002)  ( 57.532, -35.285,  -0.000)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 31       (143.041,  -0.049, -281.337)  (143.058,  -0.000, -281.292)  ( 0.01,  0.24,  0.02)
170:     bond    (177.585,  -0.026, -223.783)  (177.591,   0.000, -223.752)  ( 0.00,  0.07,  0.01)
170:     angle   (  0.404,  -0.016,  -0.129)  (  0.410,   0.000,  -0.115)  ( 0.23,  0.03,  0.17)
170:     torsion (  0.325,  -0.005,   0.101)  (  0.338,  -0.000,   0.104)  ( 0.44,  0.00,  0.03)
170:     oop     (  0.012,  -0.000,   0.006)  (  0.005,  -0.000,   0.004)  ( 0.01,  0.00,  0.00)
170:     vdw     (-35.285,  -0.002, -57.533)  (-35.285,  -0.000, -57.532)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 32       (-27.328, 298.150,  97.504)  (-27.307, 298.201,  97.544)  ( 0.08,  0.02,  0.04)
170:     bond    (-74.029, 270.148,  57.230)  (-74.018, 270.176,  57.253)  ( 0.01,  0.01,  0.04)
170:     angle   ( -0.163,  -0.641,   0.285)  ( -0.154,  -0.629,   0.299)  ( 0.14,  0.77,  0.40)
170:     torsion (  0.476,  -0.291,   0.285)  (  0.487,  -0.286,   0.290)  ( 0.51,  0.15,  0.15)
170:     oop     (  0.016,  -0.005,   0.008)  (  0.007,   0.000,   0.003)  ( 0.01,  0.00,  0.00)
170:     vdw     ( 46.371,  28.939,  39.697)  ( 46.372,  28.940,  39.698)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 33       (-97.594, -27.328, 298.150)  (-97.544, -27.307, 298.201)  ( 0.05,  0.08,  0.02)
170:     bond    (-57.277, -74.029, 270.148)  (-57.253, -74.018, 270.176)  ( 0.04,  0.01,  0.01)
170:     angle   ( -0.313,  -0.163,  -0.641)  ( -0.299,  -0.154,  -0.629)  ( 0.44,  0.14,  0.77)
170:     torsion ( -0.295,   0.476,  -0.291)  ( -0.290,   0.487,  -0.286)  ( 0.16,  0.51,  0.15)
170:     oop     ( -0.008,   0.016,  -0.005)  ( -0.003,   0.007,   0.000)  ( 0.00,  0.01,  0.00)
170:     vdw     (-39.700,  46.371,  28.939)  (-39.698,  46.372,  28.940)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 34       (281.242, -143.091,  -0.049)  (281.292, -143.058,   0.000)  ( 0.02,  0.02,  0.24)
170:     bond    (223.722, -177.596,  -0.026)  (223.752, -177.591,   0.000)  ( 0.01,  0.00,  0.07)
170:     angle   (  0.102,  -0.415,  -0.016)  (  0.115,  -0.410,   0.000)  ( 0.14,  0.23,  0.03)
170:     torsion ( -0.107,  -0.352,  -0.005)  ( -0.104,  -0.338,   0.000)  ( 0.03,  0.48,  0.00)
170:     oop     ( -0.006,  -0.013,  -0.000)  ( -0.004,  -0.005,   0.000)  ( 0.00,  0.01,  0.00)
170:     vdw     ( 57.531,  35.285,  -0.002)  ( 57.532,  35.285,   0.000)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 35       (-202.167, 156.695, -186.980)  (-202.126, 156.738, -186.928)  ( 0.02,  0.03,  0.03)
170:     bond    (-212.764,  92.745, -168.105)  (-212.748,  92.764, -168.078)  ( 0.01,  0.02,  0.02)
170:     angle   (  0.134,   0.038,  -0.721)  (  0.143,   0.050,  -0.706)  ( 0.12,  0.04,  1.04)
170:     torsion ( -0.320,  -0.279,  -0.231)  ( -0.310,  -0.273,  -0.226)  ( 0.32,  0.17,  0.12)
170:     oop     ( -0.009,  -0.008,  -0.003)  ( -0.003,  -0.003,   0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 10.792,  64.199, -17.920)  ( 10.792,  64.200, -17.919)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 36       (-202.167, 156.695, 186.884)  (-202.126, 156.738, 186.928)  ( 0.02,  0.03,  0.02)
170:     bond    (-212.764,  92.745, 168.051)  (-212.748,  92.764, 168.078)  ( 0.01,  0.02,  0.02)
170:     angle   (  0.134,   0.038,   0.692)  (  0.143,   0.050,   0.706)  ( 0.12,  0.04,  0.99)
170:     torsion ( -0.320,  -0.279,   0.221)  ( -0.310,  -0.273,   0.226)  ( 0.32,  0.17,  0.11)
170:     oop     ( -0.009,  -0.008,   0.003)  ( -0.003,  -0.003,  -0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 10.792,  64.199,  17.918)  ( 10.792,  64.200,  17.919)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 37       (-143.091,  -0.049, 281.242)  (-143.058,   0.000, 281.292)  ( 0.02,  0.24,  0.02)
170:     bond    (-177.596,  -0.026, 223.722)  (-177.591,   0.000, 223.752)  ( 0.00,  0.07,  0.01)
170:     angle   ( -0.415,  -0.016,   0.102)  ( -0.410,   0.000,   0.115)  ( 0.23,  0.03,  0.14)
170:     torsion ( -0.352,  -0.005,  -0.107)  ( -0.338,   0.000,  -0.104)  ( 0.48,  0.00,  0.03)
170:     oop     ( -0.013,  -0.000,  -0.006)  ( -0.005,   0.000,  -0.004)  ( 0.01,  0.00,  0.00)
170:     vdw     ( 35.285,  -0.002,  57.531)  ( 35.285,  -0.000,  57.532)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 38       (-202.167, -156.771, -186.980)  (-202.126, -156.738, -186.928)  ( 0.02,  0.02,  0.03)
170:     bond    (-212.764, -92.784, -168.105)  (-212.748, -92.764, -168.078)  ( 0.01,  0.02,  0.02)
170:     angle   (  0.134,  -0.061,  -0.721)  (  0.143,  -0.050,  -0.706)  ( 0.12,  0.07,  1.04)
170:     torsion ( -0.320,   0.267,  -0.231)  ( -0.310,   0.273,  -0.226)  ( 0.32,  0.16,  0.12)
170:     oop     ( -0.009,   0.007,  -0.003)  ( -0.003,   0.003,   0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 10.792, -64.201, -17.920)  ( 10.792, -64.200, -17.919)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 39       (-202.167, -156.771, 186.884)  (-202.126, -156.738, 186.928)  ( 0.02,  0.02,  0.02)
170:     bond    (-212.764, -92.784, 168.051)  (-212.748, -92.764, 168.078)  ( 0.01,  0.02,  0.02)
170:     angle   (  0.134,  -0.061,   0.692)  (  0.143,  -0.050,   0.706)  ( 0.12,  0.07,  0.99)
170:     torsion ( -0.320,   0.267,   0.221)  ( -0.310,   0.273,   0.226)  ( 0.32,  0.16,  0.11)
170:     oop     ( -0.009,   0.007,   0.003)  ( -0.003,   0.003,  -0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 10.792, -64.201,  17.918)  ( 10.792, -64.200,  17.919)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 40       ( 97.504, -27.328, 298.150)  ( 97.544, -27.307, 298.201)  ( 0.04,  0.08,  0.02)
170:     bond    ( 57.230, -74.029, 270.148)  ( 57.253, -74.018, 270.176)  ( 0.04,  0.01,  0.01)
170:     angle   (  0.285,  -0.163,  -0.641)  (  0.299,  -0.154,  -0.629)  ( 0.40,  0.14,  0.77)
170:     torsion (  0.285,   0.476,  -0.291)  (  0.290,   0.487,  -0.286)  ( 0.15,  0.51,  0.15)
170:     oop     (  0.008,   0.016,  -0.005)  (  0.003,   0.007,   0.000)  ( 0.00,  0.01,  0.00)
170:     vdw     ( 39.697,  46.371,  28.939)  ( 39.698,  46.372,  28.940)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 41       (-186.980, -202.167, -156.771)  (-186.928, -202.126, -156.738)  ( 0.03,  0.02,  0.02)
170:     bond    (-168.105, -212.764, -92.784)  (-168.078, -212.748, -92.764)  ( 0.02,  0.01,  0.02)
170:     angle   ( -0.721,   0.134,  -0.061)  ( -0.706,   0.143,  -0.050)  ( 1.04,  0.12,  0.07)
170:     torsion ( -0.231,  -0.320,   0.267)  ( -0.226,  -0.310,   0.273)  ( 0.12,  0.32,  0.16)
170:     oop     ( -0.003,  -0.009,   0.007)  (  0.001,  -0.003,   0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     (-17.920,  10.792, -64.201)  (-17.919,  10.792, -64.200)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 42       (-298.242,  97.504,  27.266)  (-298.201,  97.544,  27.307)  ( 0.01,  0.04,  0.15)
170:     bond    (-270.205,  57.230,  74.008)  (-270.176,  57.253,  74.018)  ( 0.01,  0.04,  0.01)
170:     angle   (  0.617,   0.285,   0.145)  (  0.629,   0.299,   0.154)  ( 0.74,  0.40,  0.13)
170:     torsion (  0.281,   0.285,  -0.498)  (  0.286,   0.290,  -0.487)  ( 0.14,  0.15,  0.53)
170:     oop     (  0.005,   0.008,  -0.016)  ( -0.000,   0.003,  -0.007)  ( 0.00,  0.00,  0.02)
170:     vdw     (-28.940,  39.697, -46.373)  (-28.940,  39.698, -46.372)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 43       (186.884, -202.167, -156.771)  (186.928, -202.126, -156.738)  ( 0.02,  0.02,  0.02)
170:     bond    (168.051, -212.764, -92.784)  (168.078, -212.748, -92.764)  ( 0.02,  0.01,  0.02)
170:     angle   (  0.692,   0.134,  -0.061)  (  0.706,   0.143,  -0.050)  ( 0.99,  0.12,  0.07)
170:     torsion (  0.221,  -0.320,   0.267)  (  0.226,  -0.310,   0.273)  ( 0.11,  0.32,  0.16)
170:     oop     (  0.003,  -0.009,   0.007)  ( -0.001,  -0.003,   0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 17.918,  10.792, -64.201)  ( 17.919,  10.792, -64.200)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 44       ( 27.266, 298.150, -97.594)  ( 27.307, 298.201, -97.544)  ( 0.15,  0.02,  0.05)
170:     bond    ( 74.008, 270.148, -57.277)  ( 74.018, 270.176, -57.253)  ( 0.01,  0.01,  0.04)
170:     angle   (  0.145,  -0.641,  -0.313)  (  0.154,  -0.629,  -0.299)  ( 0.13,  0.77,  0.44)
170:     torsion ( -0.498,  -0.291,  -0.295)  ( -0.487,  -0.286,  -0.290)  ( 0.53,  0.15,  0.16)
170:     oop     ( -0.016,  -0.005,  -0.008)  ( -0.007,   0.000,  -0.003)  ( 0.02,  0.00,  0.00)
170:     vdw     (-46.373,  28.939, -39.700)  (-46.372,  28.940, -39.698)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 45       (-27.328, 298.150, -97.594)  (-27.307, 298.201, -97.544)  ( 0.08,  0.02,  0.05)
170:     bond    (-74.029, 270.148, -57.277)  (-74.018, 270.176, -57.253)  ( 0.01,  0.01,  0.04)
170:     angle   ( -0.163,  -0.641,  -0.313)  ( -0.154,  -0.629,  -0.299)  ( 0.14,  0.77,  0.44)
170:     torsion (  0.476,  -0.291,  -0.295)  (  0.487,  -0.286,  -0.290)  ( 0.51,  0.15,  0.16)
170:     oop     (  0.016,  -0.005,  -0.008)  (  0.007,   0.000,  -0.003)  ( 0.01,  0.00,  0.00)
170:     vdw     ( 46.371,  28.939, -39.700)  ( 46.372,  28.940, -39.698)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 46       ( 27.266, -298.242, -97.594)  ( 27.307, -298.201, -97.544)  ( 0.15,  0.01,  0.05)
170:     bond    ( 74.008, -270.205, -57.277)  ( 74.018, -270.176, -57.253)  ( 0.01,  0.01,  0.04)
170:     angle   (  0.145,   0.617,  -0.313)  (  0.154,   0.629,  -0.299)  ( 0.13,  0.74,  0.44)
170:     torsion ( -0.498,   0.281,  -0.295)  ( -0.487,   0.286,  -0.290)  ( 0.53,  0.14,  0.16)
170:     oop     ( -0.016,   0.005,  -0.008)  ( -0.007,  -0.000,  -0.003)  ( 0.02,  0.00,  0.00)
170:     vdw     (-46.373, -28.940, -39.700)  (-46.372, -28.940, -39.698)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 47       (-156.771, -186.980, 202.096)  (-156.738, -186.928, 202.126)  ( 0.02,  0.03,  0.02)
170:     bond    (-92.784, -168.105, 212.732)  (-92.764, -168.078, 212.748)  ( 0.02,  0.02,  0.01)
170:     angle   ( -0.061,  -0.721,  -0.152)  ( -0.050,  -0.706,  -0.143)  ( 0.07,  1.04,  0.14)
170:     torsion (  0.267,  -0.231,   0.300)  (  0.273,  -0.226,   0.310)  ( 0.16,  0.12,  0.30)
170:     oop     (  0.007,  -0.003,   0.008)  (  0.003,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     (-64.201, -17.920, -10.793)  (-64.200, -17.919, -10.792)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 48       (-143.091,  -0.049, -281.337)  (-143.058,   0.000, -281.292)  ( 0.02,  0.24,  0.02)
170:     bond    (-177.596,  -0.026, -223.783)  (-177.591,   0.000, -223.752)  ( 0.00,  0.07,  0.01)
170:     angle   ( -0.415,  -0.016,  -0.129)  ( -0.410,   0.000,  -0.115)  ( 0.23,  0.03,  0.17)
170:     torsion ( -0.352,  -0.005,   0.101)  ( -0.338,   0.000,   0.104)  ( 0.48,  0.00,  0.03)
170:     oop     ( -0.013,  -0.000,   0.006)  ( -0.005,  -0.000,   0.004)  ( 0.01,  0.00,  0.00)
170:     vdw     ( 35.285,  -0.002, -57.533)  ( 35.285,   0.000, -57.532)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 49       ( 97.504,  27.266, 298.150)  ( 97.544,  27.307, 298.201)  ( 0.04,  0.15,  0.02)
170:     bond    ( 57.230,  74.008, 270.148)  ( 57.253,  74.018, 270.176)  ( 0.04,  0.01,  0.01)
170:     angle   (  0.285,   0.145,  -0.641)  (  0.299,   0.154,  -0.629)  ( 0.40,  0.13,  0.77)
170:     torsion (  0.285,  -0.498,  -0.291)  (  0.290,  -0.487,  -0.286)  ( 0.15,  0.53,  0.15)
170:     oop     (  0.008,  -0.016,  -0.005)  (  0.003,  -0.007,   0.000)  ( 0.00,  0.02,  0.00)
170:     vdw     ( 39.697, -46.373,  28.939)  ( 39.698, -46.372,  28.940)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 50       (-186.980, 202.096, -156.771)  (-186.928, 202.126, -156.738)  ( 0.03,  0.02,  0.02)
170:     bond    (-168.105, 212.732, -92.784)  (-168.078, 212.748, -92.764)  ( 0.02,  0.01,  0.02)
170:     angle   ( -0.721,  -0.152,  -0.061)  ( -0.706,  -0.143,  -0.050)  ( 1.04,  0.14,  0.07)
170:     torsion ( -0.231,   0.300,   0.267)  ( -0.226,   0.310,   0.273)  ( 0.12,  0.30,  0.16)
170:     oop     ( -0.003,   0.008,   0.007)  (  0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     (-17.920, -10.793, -64.201)  (-17.919, -10.792, -64.200)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 51       (-27.328, -298.242, -97.594)  (-27.307, -298.201, -97.544)  ( 0.08,  0.01,  0.05)
170:     bond    (-74.029, -270.205, -57.277)  (-74.018, -270.176, -57.253)  ( 0.01,  0.01,  0.04)
170:     angle   ( -0.163,   0.617,  -0.313)  ( -0.154,   0.629,  -0.299)  ( 0.14,  0.74,  0.44)
170:     torsion (  0.476,   0.281,  -0.295)  (  0.487,   0.286,  -0.290)  ( 0.51,  0.14,  0.16)
170:     oop     (  0.016,   0.005,  -0.008)  (  0.007,  -0.000,  -0.003)  ( 0.01,  0.00,  0.00)
170:     vdw     ( 46.371, -28.940, -39.700)  ( 46.372, -28.940, -39.698)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 52       (156.695, -186.980, 202.096)  (156.738, -186.928, 202.126)  ( 0.03,  0.03,  0.02)
170:     bond    ( 92.745, -168.105, 212.732)  ( 92.764, -168.078, 212.748)  ( 0.02,  0.02,  0.01)
170:     angle   (  0.038,  -0.721,  -0.152)  (  0.050,  -0.706,  -0.143)  ( 0.04,  1.04,  0.14)
170:     torsion ( -0.279,  -0.231,   0.300)  ( -0.273,  -0.226,   0.310)  ( 0.17,  0.12,  0.30)
170:     oop     ( -0.008,  -0.003,   0.008)  ( -0.003,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 64.199, -17.920, -10.793)  ( 64.200, -17.919, -10.792)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 53       (298.150,  97.504,  27.266)  (298.201,  97.544,  27.307)  ( 0.02,  0.04,  0.15)
170:     bond    (270.148,  57.230,  74.008)  (270.176,  57.253,  74.018)  ( 0.01,  0.04,  0.01)
170:     angle   ( -0.641,   0.285,   0.145)  ( -0.629,   0.299,   0.154)  ( 0.77,  0.40,  0.13)
170:     torsion ( -0.291,   0.285,  -0.498)  ( -0.286,   0.290,  -0.487)  ( 0.15,  0.15,  0.53)
170:     oop     ( -0.005,   0.008,  -0.016)  (  0.000,   0.003,  -0.007)  ( 0.00,  0.00,  0.02)
170:     vdw     ( 28.939,  39.697, -46.373)  ( 28.940,  39.698, -46.372)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 54       ( -0.049, 281.242, 143.041)  (  0.000, 281.292, 143.058)  ( 0.24,  0.02,  0.01)
170:     bond    ( -0.026, 223.722, 177.585)  (  0.000, 223.752, 177.591)  ( 0.07,  0.01,  0.00)
170:     angle   ( -0.016,   0.102,   0.404)  (  0.000,   0.115,   0.410)  ( 0.03,  0.14,  0.23)
170:     torsion ( -0.005,  -0.107,   0.325)  (  0.000,  -0.104,   0.338)  ( 0.00,  0.03,  0.44)
170:     oop     ( -0.000,  -0.006,   0.012)  (  0.000,  -0.004,   0.005)  ( 0.00,  0.00,  0.01)
170:     vdw     ( -0.002,  57.531, -35.285)  (  0.000,  57.532, -35.285)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 55       (156.695, 186.884, 202.096)  (156.738, 186.928, 202.126)  ( 0.03,  0.02,  0.02)
170:     bond    ( 92.745, 168.051, 212.732)  ( 92.764, 168.078, 212.748)  ( 0.02,  0.02,  0.01)
170:     angle   (  0.038,   0.692,  -0.152)  (  0.050,   0.706,  -0.143)  ( 0.04,  0.99,  0.14)
170:     torsion ( -0.279,   0.221,   0.300)  ( -0.273,   0.226,   0.310)  ( 0.17,  0.11,  0.30)
170:     oop     ( -0.008,   0.003,   0.008)  ( -0.003,  -0.001,   0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 64.199,  17.918, -10.793)  ( 64.200,  17.919, -10.792)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 56       (-156.771, 186.884, 202.096)  (-156.738, 186.928, 202.126)  ( 0.02,  0.02,  0.02)
170:     bond    (-92.784, 168.051, 212.732)  (-92.764, 168.078, 212.748)  ( 0.02,  0.02,  0.01)
170:     angle   ( -0.061,   0.692,  -0.152)  ( -0.050,   0.706,  -0.143)  ( 0.07,  0.99,  0.14)
170:     torsion (  0.267,   0.221,   0.300)  (  0.273,   0.226,   0.310)  ( 0.16,  0.11,  0.30)
170:     oop     (  0.007,   0.003,   0.008)  (  0.003,  -0.001,   0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     (-64.201,  17.918, -10.793)  (-64.200,  17.919, -10.792)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 57       (186.884, 202.096, -156.771)  (186.928, 202.126, -156.738)  ( 0.02,  0.02,  0.02)
170:     bond    (168.051, 212.732, -92.784)  (168.078, 212.748, -92.764)  ( 0.02,  0.01,  0.02)
170:     angle   (  0.692,  -0.152,  -0.061)  (  0.706,  -0.143,  -0.050)  ( 0.99,  0.14,  0.07)
170:     torsion (  0.221,   0.300,   0.267)  (  0.226,   0.310,   0.273)  ( 0.11,  0.30,  0.16)
170:     oop     (  0.003,   0.008,   0.007)  ( -0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 17.918, -10.793, -64.201)  ( 17.919, -10.792, -64.200)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 58       (-298.242, -97.594,  27.266)  (-298.201, -97.544,  27.307)  ( 0.01,  0.05,  0.15)
170:     bond    (-270.205, -57.277,  74.008)  (-270.176, -57.253,  74.018)  ( 0.01,  0.04,  0.01)
170:     angle   (  0.617,  -0.313,   0.145)  (  0.629,  -0.299,   0.154)  ( 0.74,  0.44,  0.13)
170:     torsion (  0.281,  -0.295,  -0.498)  (  0.286,  -0.290,  -0.487)  ( 0.14,  0.16,  0.53)
170:     oop     (  0.005,  -0.008,  -0.016)  ( -0.000,  -0.003,  -0.007)  ( 0.00,  0.00,  0.02)
170:     vdw     (-28.940, -39.700, -46.373)  (-28.940, -39.698, -46.372)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 59       (298.150, -97.594,  27.266)  (298.201, -97.544,  27.307)  ( 0.02,  0.05,  0.15)
170:     bond    (270.148, -57.277,  74.008)  (270.176, -57.253,  74.018)  ( 0.01,  0.04,  0.01)
170:     angle   ( -0.641,  -0.313,   0.145)  ( -0.629,  -0.299,   0.154)  ( 0.77,  0.44,  0.13)
170:     torsion ( -0.291,  -0.295,  -0.498)  ( -0.286,  -0.290,  -0.487)  ( 0.15,  0.16,  0.53)
170:     oop     ( -0.005,  -0.008,  -0.016)  (  0.000,  -0.003,  -0.007)  ( 0.00,  0.00,  0.02)
170:     vdw     ( 28.939, -39.700, -46.373)  ( 28.940, -39.698, -46.372)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 60       ( -0.049, -281.337, 143.041)  ( -0.000, -281.292, 143.058)  ( 0.24,  0.02,  0.01)
170:     bond    ( -0.026, -223.783, 177.585)  (  0.000, -223.752, 177.591)  ( 0.07,  0.01,  0.00)
170:     angle   ( -0.016,  -0.129,   0.404)  (  0.000,  -0.115,   0.410)  ( 0.03,  0.17,  0.23)
170:     torsion ( -0.005,   0.101,   0.325)  ( -0.000,   0.104,   0.338)  ( 0.00,  0.03,  0.44)
170:     oop     ( -0.000,   0.006,   0.012)  (  0.000,   0.004,   0.005)  ( 0.00,  0.00,  0.01)
170:     vdw     ( -0.002, -57.533, -35.285)  (  0.000, -57.532, -35.285)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 18 # gradients 
170: ok 19 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (187.442, -80.908,  -3.672)  (187.494, -80.846,  -3.733)  ( 0.03,  0.08,  1.66)
170:     bond    (  9.662,  34.813,  -0.219)  (  9.689,  34.853,  -0.218)  ( 0.28,  0.11,  0.01)
170:     angle   (232.233, -14.543,   3.991)  (232.257, -14.524,   3.990)  ( 0.01,  0.13,  0.02)
170:     torsion (  0.100,   0.118,  -8.823)  (  0.100,   0.118,  -8.791)  ( 0.00,  0.00,  0.36)
170:     oop     ( -0.001,  -0.003,   0.894)  ( -0.002,  -0.003,   0.802)  ( 0.00,  0.00,  8.27)
170:     vdw     (-54.552, -101.293,   0.486)  (-54.551, -101.291,   0.485)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (-396.877, -26.391,  23.123)  (-396.817, -26.325,  23.254)  ( 0.01,  0.25,  0.57)
170:     bond    (-22.671, -12.760,  -0.575)  (-22.641, -12.714,  -0.575)  ( 0.13,  0.36,  0.02)
170:     angle   (-380.611,  45.357,   7.464)  (-380.585,  45.376,   7.462)  ( 0.01,  0.04,  0.02)
170:     torsion (  0.072,  -0.068,  18.770)  (  0.072,  -0.068,  18.797)  ( 0.00,  0.00,  0.14)
170:     oop     ( -0.004,   0.005,  -0.395)  ( -0.003,   0.004,  -0.290)  ( 0.00,  0.00,  4.18)
170:     vdw     (  6.338, -58.925,  -2.140)  (  6.339, -58.923,  -2.140)  ( 0.02,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       (197.838, -192.492,  -5.916)  (197.900, -192.435,  -5.979)  ( 0.03,  0.03,  1.07)
170:     bond    ( 83.338, -37.167,  -0.934)  ( 83.375, -37.127,  -0.933)  ( 0.04,  0.11,  0.03)
170:     angle   ( 68.449, -156.536,  -1.508)  ( 68.474, -156.520,  -1.506)  ( 0.04,  0.01,  0.11)
170:     torsion (  0.111,   0.566,  -3.763)  (  0.111,   0.566,  -3.744)  ( 0.00,  0.00,  0.52)
170:     oop     (  0.003,   0.002,   0.314)  (  0.002,   0.002,   0.229)  ( 0.00,  0.00,  2.66)
170:     vdw     ( 45.937,   0.643,  -0.025)  ( 45.938,   0.643,  -0.025)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       (131.699, 142.709,  -5.048)  (131.773, 142.790,  -4.744)  ( 0.06,  0.06,  6.03)
170:     bond    (-39.328, -45.304,   0.742)  (-39.285, -45.259,   0.742)  ( 0.11,  0.10,  0.03)
170:     angle   (108.956, 100.526,  -1.495)  (108.984, 100.556,  -1.495)  ( 0.03,  0.03,  0.00)
170:     torsion ( -0.239,   0.068,   2.388)  ( -0.239,   0.068,   2.407)  ( 0.00,  0.00,  0.80)
170:     oop     ( -0.011,  -0.015,  -1.688)  ( -0.009,  -0.013,  -1.402)  ( 0.00,  0.00, 16.93)
170:     vdw     ( 62.322,  87.435,  -4.995)  ( 62.324,  87.438,  -4.995)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       ( 79.288,  88.861,  -5.940)  ( 79.309,  88.889,  -6.055)  ( 0.03,  0.03,  1.93)
170:     bond    ( 34.251,  59.094,  -0.793)  ( 34.260,  59.119,  -0.793)  ( 0.02,  0.04,  0.02)
170:     angle   (-11.405,   6.603,   0.172)  (-11.396,   6.606,   0.172)  ( 0.08,  0.05,  0.00)
170:     torsion (  0.029,   0.039,   4.126)  (  0.029,   0.039,   4.129)  ( 0.00,  0.00,  0.09)
170:     oop     (  0.005,   0.007,   0.781)  (  0.005,   0.006,   0.663)  ( 0.00,  0.00,  9.23)
170:     vdw     ( 56.408,  23.118, -10.227)  ( 56.411,  23.119, -10.227)  ( 0.01,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (-182.051, 166.429,  -7.813)  (-181.992, 166.491,  -7.960)  ( 0.03,  0.04,  1.88)
170:     bond    (-39.410,  95.923,  -0.988)  (-39.370,  95.959,  -0.988)  ( 0.10,  0.04,  0.02)
170:     angle   (-109.318,  15.492,   3.850)  (-109.301,  15.517,   3.853)  ( 0.02,  0.16,  0.06)
170:     torsion ( -0.591,  -0.333, -11.745)  ( -0.591,  -0.333, -11.729)  ( 0.00,  0.00,  0.13)
170:     oop     (  0.000,   0.002,   1.006)  (  0.000,   0.002,   0.841)  ( 0.00,  0.00, 16.39)
170:     vdw     (-32.732,  55.345,   0.063)  (-32.732,  55.346,   0.063)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       ( 82.852, -217.208, -27.768)  ( 82.921, -217.147, -27.253)  ( 0.08,  0.03,  1.85)
170:     bond    (103.129, -71.073,   0.420)  (103.176, -71.040,   0.419)  ( 0.05,  0.05,  0.01)
170:     angle   ( 14.800, -138.621,  -2.387)  ( 14.823, -138.595,  -2.387)  ( 0.16,  0.02,  0.04)
170:     torsion (  0.228,  -0.269, -19.945)  (  0.228,  -0.269, -19.923)  ( 0.00,  0.00,  0.11)
170:     oop     (  0.013,   0.003,  -3.052)  (  0.011,   0.003,  -2.558)  ( 0.00,  0.00, 16.19)
170:     vdw     (-35.317,  -7.247,  -2.804)  (-35.316,  -7.246,  -2.804)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (-107.292, -13.736,  -1.515)  (-107.256, -13.723,  -1.763)  ( 0.03,  0.09, 16.41)
170:     bond    (-79.086,   1.050,  -0.525)  (-79.052,   1.050,  -0.525)  ( 0.04,  0.03,  0.02)
170:     angle   (  0.265,  19.773,  -0.294)  (  0.265,  19.784,  -0.294)  ( 0.00,  0.06,  0.01)
170:     torsion ( -0.008,   0.006,   1.224)  ( -0.008,   0.006,   1.228)  ( 0.00,  0.00,  0.33)
170:     oop     ( -0.009,  -0.002,   1.346)  ( -0.007,  -0.001,   1.094)  ( 0.00,  0.00, 18.72)
170:     vdw     (-28.454, -34.564,  -3.267)  (-28.453, -34.562,  -3.267)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (-172.086,  17.247, -12.385)  (-172.027,  17.299, -12.279)  ( 0.03,  0.30,  0.86)
170:     bond    (-38.220, -32.802,  -1.579)  (-38.178, -32.765,  -1.579)  ( 0.11,  0.11,  0.04)
170:     angle   (-138.590,  57.157,   0.565)  (-138.571,  57.174,   0.567)  ( 0.01,  0.03,  0.11)
170:     torsion (  0.161,   0.048, -10.926)  (  0.161,   0.048, -10.901)  ( 0.00,  0.00,  0.23)
170:     oop     (  0.004,   0.008,  -0.407)  (  0.003,   0.007,  -0.328)  ( 0.00,  0.00,  3.21)
170:     vdw     (  4.559,  -7.165,  -0.038)  (  4.559,  -7.165,  -0.038)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       (169.232,  18.020,   5.417)  (169.270,  18.061,   5.349)  ( 0.02,  0.22,  1.25)
170:     bond    (-55.806,   6.948,   0.149)  (-55.784,   6.982,   0.149)  ( 0.04,  0.49,  0.01)
170:     angle   (244.355,  31.756,  -3.708)  (244.371,  31.761,  -3.707)  ( 0.01,  0.02,  0.04)
170:     torsion (  0.150,  -0.110,   9.934)  (  0.150,  -0.110,   9.943)  ( 0.00,  0.00,  0.09)
170:     oop     (  0.003,  -0.006,   0.421)  (  0.002,  -0.005,   0.343)  ( 0.00,  0.00,  3.31)
170:     vdw     (-19.470, -20.567,  -1.378)  (-19.470, -20.567,  -1.379)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       (-12.606,  65.636,  -0.581)  (-12.553,  65.688,  -0.517)  ( 0.42,  0.08,  3.76)
170:     bond    (  5.458,  28.969,   0.248)  (  5.496,  29.002,   0.248)  ( 0.70,  0.11,  0.01)
170:     angle   (-33.346,  33.342,   0.302)  (-33.332,  33.362,   0.303)  ( 0.04,  0.06,  0.03)
170:     torsion ( -0.008,   0.046,  -1.233)  ( -0.008,   0.046,  -1.216)  ( 0.00,  0.00,  1.42)
170:     oop     ( -0.001,   0.004,  -0.208)  ( -0.001,   0.003,  -0.162)  ( 0.00,  0.00,  0.95)
170:     vdw     ( 15.292,   3.276,   0.310)  ( 15.292,   3.276,   0.310)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (121.758,  22.361,  13.948)  (121.796,  22.396,  13.907)  ( 0.03,  0.16,  0.29)
170:     bond    (132.390,  45.819,   4.435)  (132.415,  45.839,   4.454)  ( 0.02,  0.04,  0.41)
170:     angle   ( -2.089,  -2.617,  -0.059)  ( -2.077,  -2.605,  -0.050)  ( 0.56,  0.48,  0.05)
170:     torsion ( -0.309,   0.397,   9.614)  ( -0.309,   0.399,   9.619)  ( 0.01,  0.06,  0.06)
170:     oop     ( -0.003,  -0.005,   0.279)  ( -0.002,  -0.004,   0.205)  ( 0.00,  0.00,  2.04)
170:     vdw     ( -8.231, -21.233,  -0.321)  ( -8.231, -21.233,  -0.321)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (-99.503, -29.622,   1.878)  (-99.465, -29.589,   1.866)  ( 0.04,  0.11,  0.61)
170:     bond    (-143.684,  -2.026,   1.231)  (-143.658,  -2.008,   1.249)  ( 0.02,  0.90,  1.49)
170:     angle   (  5.465,   2.016,  -2.523)  (  5.477,   2.029,  -2.514)  ( 0.21,  0.64,  0.34)
170:     torsion (  0.033,  -0.108,   2.900)  (  0.033,  -0.108,   2.903)  ( 0.00,  0.00,  0.10)
170:     oop     (  0.003,   0.000,   0.231)  (  0.002,   0.000,   0.189)  ( 0.00,  0.00,  0.95)
170:     vdw     ( 38.681, -29.504,   0.040)  ( 38.682, -29.503,   0.039)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       ( 37.582, -74.411,   1.587)  ( 37.616, -74.375,   1.573)  ( 0.09,  0.05,  0.86)
170:     bond    ( 71.123, -130.243,   0.491)  ( 71.143, -130.219,   0.509)  ( 0.03,  0.02,  0.90)
170:     angle   ( -1.091,   8.131,  -4.336)  ( -1.079,   8.143,  -4.327)  ( 1.15,  0.15,  0.20)
170:     torsion (  0.265,   0.210,   5.207)  (  0.264,   0.209,   5.209)  ( 0.02,  0.00,  0.03)
170:     oop     ( -0.001,   0.003,   0.268)  ( -0.001,   0.002,   0.226)  ( 0.00,  0.00,  1.12)
170:     vdw     (-32.714,  47.488,  -0.043)  (-32.712,  47.489,  -0.043)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       (  3.920,  23.932,   2.654)  (  3.926,  23.948,   2.615)  ( 0.15,  0.07,  1.49)
170:     bond    ( -0.122,  26.490,   0.583)  ( -0.122,  26.505,   0.584)  ( 0.00,  0.06,  0.01)
170:     angle   ( -1.585,   0.003,  -0.446)  ( -1.579,   0.003,  -0.446)  ( 0.35,  0.00,  0.01)
170:     torsion (  0.009,  -0.051,   2.319)  (  0.009,  -0.051,   2.323)  ( 0.00,  0.00,  0.18)
170:     oop     (  0.000,  -0.004,   0.190)  (  0.000,  -0.003,   0.147)  ( 0.00,  0.00,  0.83)
170:     vdw     (  5.617,  -2.505,   0.007)  (  5.617,  -2.505,   0.007)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       (-12.966, -57.351,   0.642)  (-12.962, -57.337,   0.645)  ( 0.03,  0.02,  0.16)
170:     bond    ( -0.882, -53.411,  -2.255)  ( -0.883, -53.397,  -2.256)  ( 0.02,  0.03,  0.01)
170:     angle   (  3.775,  -0.050,  -0.306)  (  3.779,  -0.050,  -0.304)  ( 0.10,  0.00,  0.06)
170:     torsion ( -0.013,  -0.150,   3.548)  ( -0.013,  -0.150,   3.549)  ( 0.00,  0.00,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-15.846,  -3.741,  -0.345)  (-15.846,  -3.741,  -0.345)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       (-29.773,  13.507,  42.731)  (-29.768,  13.511,  42.741)  ( 0.02,  0.03,  0.02)
170:     bond    (-23.962,  15.581,  42.293)  (-23.959,  15.583,  42.302)  ( 0.01,  0.01,  0.02)
170:     angle   ( -0.566,  -0.453,  -0.154)  ( -0.563,  -0.450,  -0.153)  ( 0.15,  0.10,  0.01)
170:     torsion ( -0.955,   2.888,  -1.605)  ( -0.955,   2.888,  -1.605)  ( 0.01,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -4.291,  -4.509,   2.197)  ( -4.291,  -4.509,   2.197)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       (-28.873,  10.784, -48.345)  (-28.867,  10.788, -48.335)  ( 0.02,  0.04,  0.02)
170:     bond    (-24.956,  20.128, -43.024)  (-24.953,  20.130, -43.016)  ( 0.01,  0.01,  0.02)
170:     angle   (  0.068,  -0.407,  -0.231)  (  0.070,  -0.404,  -0.230)  ( 0.02,  0.09,  0.02)
170:     torsion (  1.119,  -3.172,  -2.133)  (  1.119,  -3.171,  -2.133)  ( 0.00,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -5.103,  -5.766,  -2.956)  ( -5.103,  -5.766,  -2.956)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       ( 23.298,  35.268, -45.037)  ( 23.302,  35.270, -45.025)  ( 0.02,  0.01,  0.03)
170:     bond    ( 17.270,  13.747, -49.394)  ( 17.271,  13.748, -49.382)  ( 0.01,  0.00,  0.02)
170:     angle   (  0.687,  -0.016,   0.237)  (  0.690,  -0.014,   0.237)  ( 0.23,  0.00,  0.01)
170:     torsion ( -0.153,  23.491,   6.486)  ( -0.153,  23.491,   6.486)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  5.494,  -1.954,  -2.366)  (  5.494,  -1.954,  -2.366)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       ( 49.465, -47.655,  -7.150)  ( 49.470, -47.643,  -7.148)  ( 0.01,  0.03,  0.03)
170:     bond    ( 19.007, -49.046,  12.655)  ( 19.008, -49.035,  12.656)  ( 0.01,  0.02,  0.00)
170:     angle   ( -5.104,  -1.936,   0.159)  ( -5.101,  -1.936,   0.161)  ( 0.06,  0.03,  0.03)
170:     torsion ( -0.199,  -6.185, -23.664)  ( -0.199,  -6.185, -23.664)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 35.760,   9.512,   3.699)  ( 35.761,   9.512,   3.699)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       ( 39.119,  10.672,  60.557)  ( 39.124,  10.680,  60.564)  ( 0.01,  0.07,  0.01)
170:     bond    ( 18.322,  36.440,  36.440)  ( 18.324,  36.446,  36.446)  ( 0.01,  0.02,  0.02)
170:     angle   ( -1.098,   0.558,  -0.010)  ( -1.095,   0.559,  -0.009)  ( 0.30,  0.07,  0.00)
170:     torsion (  0.352, -17.349,  17.172)  (  0.352, -17.349,  17.172)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 21.543,  -8.977,   6.954)  ( 21.543,  -8.977,   6.954)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       (-35.374,  34.391,  58.122)  (-35.364,  34.395,  58.128)  ( 0.03,  0.01,  0.01)
170:     bond    (-43.660,  -2.568,  33.124)  (-43.652,  -2.568,  33.129)  ( 0.02,  0.01,  0.01)
170:     angle   (  0.091,  -2.152,  -0.047)  (  0.092,  -2.149,  -0.046)  ( 0.01,  0.16,  0.01)
170:     torsion ( 11.893,   6.719,  16.191)  ( 11.893,   6.719,  16.191)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.697,  32.392,   8.854)  ( -3.697,  32.393,   8.854)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       (-10.234,  81.938,   8.082)  (-10.225,  81.948,   8.084)  ( 0.08,  0.01,  0.03)
170:     bond    ( 33.600,  40.238,  17.334)  ( 33.605,  40.245,  17.335)  ( 0.01,  0.02,  0.01)
170:     angle   (  5.938,  -5.064,   0.237)  (  5.940,  -5.063,   0.239)  ( 0.04,  0.03,  0.04)
170:     torsion (  6.440,   3.280, -20.101)  (  6.440,   3.280, -20.101)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-56.212,  43.484,  10.612)  (-56.211,  43.485,  10.612)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       (-36.608,   7.264, -47.950)  (-36.605,   7.267, -47.938)  ( 0.01,  0.05,  0.03)
170:     bond    (-16.227,  10.670, -49.969)  (-16.226,  10.670, -49.957)  ( 0.01,  0.00,  0.02)
170:     angle   ( -0.546,   1.436,   0.484)  ( -0.544,   1.439,   0.484)  ( 0.11,  0.22,  0.02)
170:     torsion (-18.485, -10.083,   3.851)  (-18.486, -10.083,   3.851)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.349,   5.242,  -2.315)  ( -1.349,   5.242,  -2.315)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 20 # gradients 
170: ok 21 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (-153.373, -69.971,  55.658)  (-153.332, -69.935,  55.694)  ( 0.03,  0.05,  0.07)
170:     bond    (-118.434, -27.963, 117.758)  (-118.409, -27.941, 117.778)  ( 0.02,  0.08,  0.02)
170:     angle   ( -7.105, -15.058, -47.730)  ( -7.090, -15.044, -47.715)  ( 0.21,  0.09,  0.03)
170:     torsion (-10.090,  -9.856, -13.607)  (-10.088,  -9.856, -13.605)  ( 0.01,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-17.745, -17.094,  -0.764)  (-17.744, -17.094,  -0.764)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       ( -6.942,  13.081,  20.181)  ( -6.908,  13.113,  20.212)  ( 0.49,  0.24,  0.15)
170:     bond    ( 93.283, -23.271, -11.981)  ( 93.302, -23.251, -11.964)  ( 0.02,  0.09,  0.15)
170:     angle   (-28.134,  11.848,  54.240)  (-28.122,  11.859,  54.251)  ( 0.04,  0.09,  0.02)
170:     torsion (-32.898,  14.666,   8.358)  (-32.896,  14.667,   8.361)  ( 0.00,  0.01,  0.03)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-39.193,   9.837, -30.436)  (-39.192,   9.837, -30.436)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       ( 22.168,   8.186, -22.647)  ( 22.201,   8.219, -22.615)  ( 0.15,  0.41,  0.14)
170:     bond    ( 34.130, -72.157, 129.290)  ( 34.151, -72.139, 129.309)  ( 0.06,  0.03,  0.01)
170:     angle   ( -1.163,  40.049, -91.327)  ( -1.152,  40.060, -91.316)  ( 0.98,  0.03,  0.01)
170:     torsion (  9.461,  19.306, -33.473)  (  9.462,  19.309, -33.471)  ( 0.01,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-20.260,  20.988, -27.137)  (-20.259,  20.989, -27.136)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       ( 19.565, -52.815,  20.846)  ( 19.599, -52.756,  21.009)  ( 0.17,  0.11,  0.78)
170:     bond    ( 48.823,  84.861, -70.006)  ( 48.843,  84.880, -69.987)  ( 0.04,  0.02,  0.03)
170:     angle   ( -5.522, -77.195,  86.084)  ( -5.510, -77.183,  86.093)  ( 0.22,  0.02,  0.01)
170:     torsion (-12.453, -18.900,  -6.728)  (-12.453, -18.900,  -6.726)  ( 0.00,  0.00,  0.03)
170:     oop     ( -0.003,  -0.171,  -0.864)  ( -0.003,  -0.144,  -0.731)  ( 0.00,  0.46, 11.49)
170:     vdw     (-11.280, -41.409,  12.360)  (-11.279, -41.408,  12.360)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (-74.504,  88.704, -49.250)  (-74.460,  88.676, -49.561)  ( 0.06,  0.03,  0.63)
170:     bond    (-49.325,  74.332,  -9.055)  (-49.296,  74.356,  -9.054)  ( 0.06,  0.03,  0.02)
170:     angle   (-37.756,  68.135, -81.092)  (-37.744,  68.149, -81.087)  ( 0.03,  0.02,  0.01)
170:     torsion (  9.057,  -4.154,  31.762)  (  9.058,  -4.154,  31.771)  ( 0.00,  0.02,  0.03)
170:     oop     ( -0.002,   0.412,   2.075)  ( -0.002,   0.345,   1.748)  ( 0.00,  2.74, 15.78)
170:     vdw     (  3.522, -50.020,   7.060)  (  3.523, -50.020,   7.060)  ( 0.04,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       ( 33.890, -79.244,  24.868)  ( 33.942, -79.224,  24.727)  ( 0.15,  0.03,  0.56)
170:     bond    ( -0.246,  24.304,  -2.518)  ( -0.216,  24.326,  -2.517)  ( 0.72,  0.09,  0.05)
170:     angle   ( 17.675, -45.694,  20.609)  ( 17.684, -45.680,  20.610)  ( 0.05,  0.03,  0.01)
170:     torsion ( -2.010,  -7.625, -12.160)  ( -2.010,  -7.624, -12.145)  ( 0.01,  0.01,  0.13)
170:     oop     ( -0.087,   0.129,   1.010)  ( -0.074,   0.111,   0.851)  ( 0.12,  0.23, 15.68)
170:     vdw     ( 18.558, -50.358,  17.928)  ( 18.559, -50.356,  17.928)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       ( -6.479,  29.201, -24.347)  ( -6.453,  29.250, -24.212)  ( 0.41,  0.17,  0.56)
170:     bond    (-86.066,  82.942,   2.549)  (-86.047,  82.962,   2.567)  ( 0.02,  0.02,  0.71)
170:     angle   ( 65.451, -10.781, -20.767)  ( 65.463, -10.769, -20.759)  ( 0.02,  0.11,  0.04)
170:     torsion (  4.651, -11.128, -21.212)  (  4.652, -11.128, -21.208)  ( 0.02,  0.01,  0.02)
170:     oop     (  0.039,  -0.090,  -0.588)  (  0.033,  -0.075,  -0.483)  ( 0.03,  0.14,  6.18)
170:     vdw     (  9.445, -31.740,  15.670)  (  9.446, -31.740,  15.671)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (-50.352, -14.112,  19.394)  (-50.316, -14.075,  19.428)  ( 0.07,  0.26,  0.18)
170:     bond    ( -4.083, -21.222, -134.545)  ( -4.063, -21.202, -134.526)  ( 0.49,  0.09,  0.01)
170:     angle   (-64.949,  37.155, 145.170)  (-64.935,  37.168, 145.182)  ( 0.02,  0.04,  0.01)
170:     torsion (-11.505,  -5.383,   9.994)  (-11.504,  -5.381,   9.996)  ( 0.01,  0.04,  0.03)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 30.185, -24.662,  -1.225)  ( 30.186, -24.661,  -1.224)  ( 0.00,  0.00,  0.02)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       ( 19.680,  49.353,  29.199)  ( 19.719,  49.388,  29.233)  ( 0.20,  0.07,  0.12)
170:     bond    (-47.975,  73.579,  64.884)  (-47.954,  73.599,  64.903)  ( 0.05,  0.03,  0.03)
170:     angle   ( 40.405,  20.098, -37.865)  ( 40.420,  20.112, -37.852)  ( 0.04,  0.07,  0.03)
170:     torsion ( -6.307, -21.411, -22.443)  ( -6.305, -21.409, -22.440)  ( 0.03,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 33.556, -22.914,  24.622)  ( 33.557, -22.913,  24.623)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       ( 15.692,   0.042, -50.217)  ( 15.721,   0.074, -50.188)  ( 0.19,  0.14,  0.06)
170:     bond    ( 17.964, 117.602, -67.197)  ( 17.982, 117.622, -67.178)  ( 0.10,  0.02,  0.03)
170:     angle   (-40.242, -75.341,  51.453)  (-40.231, -75.329,  51.464)  ( 0.03,  0.02,  0.02)
170:     torsion (  5.566, -24.566, -27.007)  (  5.566, -24.565, -27.008)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 32.404, -17.654,  -7.466)  ( 32.405, -17.653,  -7.466)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       (-21.940,   1.245, -20.594)  (-21.909,   1.274, -20.565)  ( 0.15,  2.34,  0.14)
170:     bond    (-151.842, -12.958, -56.391)  (-151.822, -12.939, -56.372)  ( 0.01,  0.14,  0.03)
170:     angle   (120.348,  37.858,  32.910)  (120.361,  37.868,  32.920)  ( 0.01,  0.03,  0.03)
170:     torsion ( -1.948,   4.264,   6.229)  ( -1.949,   4.263,   6.228)  ( 0.03,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 11.501, -27.918,  -3.341)  ( 11.501, -27.917,  -3.341)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (-34.430,  10.516,  70.214)  (-34.397,  10.554,  70.245)  ( 0.10,  0.36,  0.04)
170:     bond    (-90.912, 117.802, 125.753)  (-90.893, 117.824, 125.773)  ( 0.02,  0.02,  0.02)
170:     angle   ( 31.272, -134.270, -78.723)  ( 31.285, -134.256, -78.712)  ( 0.04,  0.01,  0.01)
170:     torsion ( 10.256,  30.515,   9.567)  ( 10.257,  30.516,   9.568)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 14.953,  -3.531,  13.616)  ( 14.954,  -3.530,  13.617)  ( 0.00,  0.02,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (  1.059,  33.761, -43.609)  (  1.093,  33.795, -43.577)  ( 3.21,  0.10,  0.07)
170:     bond    (132.862, -184.020, -37.633)  (132.882, -184.000, -37.613)  ( 0.02,  0.01,  0.05)
170:     angle   (-133.412, 190.940,  17.812)  (-133.399, 190.953,  17.823)  ( 0.01,  0.01,  0.06)
170:     torsion ( -3.930,  23.835, -14.652)  ( -3.929,  23.837, -14.651)  ( 0.02,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  5.539,   3.005,  -9.136)  (  5.539,   3.005,  -9.136)  ( 0.01,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       ( -9.168,  -5.874,  -3.147)  ( -9.136,  -5.841,  -3.117)  ( 0.35,  0.56,  0.96)
170:     bond    (-159.132, 160.549, -91.198)  (-159.112, 160.569, -91.179)  ( 0.01,  0.01,  0.02)
170:     angle   (137.891, -183.388,  64.718)  (137.902, -183.377,  64.727)  ( 0.01,  0.01,  0.01)
170:     torsion (  6.365,   0.090,  14.498)  (  6.366,   0.091,  14.500)  ( 0.01,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  5.708,  16.876,   8.835)  (  5.708,  16.877,   8.835)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       (-22.747,  -7.527,  -2.453)  (-22.715,  -7.494,  -2.424)  ( 0.14,  0.44,  1.22)
170:     bond    ( 76.533, -190.531,  43.415)  ( 76.553, -190.512,  43.434)  ( 0.03,  0.01,  0.04)
170:     angle   (-103.016, 195.873, -65.251)  (-103.005, 195.885, -65.243)  ( 0.01,  0.01,  0.01)
170:     torsion ( -9.947,   8.312,  -0.300)  ( -9.946,   8.313,  -0.297)  ( 0.01,  0.01,  0.06)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 13.682, -21.181,  19.682)  ( 13.683, -21.180,  19.683)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       ( -8.745,   0.117,  51.246)  ( -8.712,   0.149,  51.276)  ( 0.37,  0.37,  0.06)
170:     bond    (-75.225, 151.138, -61.792)  (-75.205, 151.157, -61.773)  ( 0.03,  0.01,  0.03)
170:     angle   ( 62.075, -144.854,  68.861)  ( 62.087, -144.843,  68.870)  ( 0.02,  0.01,  0.01)
170:     torsion (  7.495,  -5.083,  45.088)  (  7.495,  -5.082,  45.090)  ( 0.00,  0.02,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.090,  -1.084,  -0.911)  ( -3.090,  -1.084,  -0.911)  ( 0.01,  0.04,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       ( 25.523,   1.799,  -0.167)  ( 25.556,   1.834,  -0.136)  ( 0.13,  1.97,  0.52)
170:     bond    (-18.136, -82.738, 108.231)  (-18.117, -82.716, 108.249)  ( 0.11,  0.03,  0.02)
170:     angle   ( 17.917,  69.072, -92.513)  ( 17.930,  69.084, -92.502)  ( 0.07,  0.02,  0.01)
170:     torsion ( 17.104,  12.259, -16.637)  ( 17.105,  12.260, -16.635)  ( 0.01,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  8.639,   3.206,   0.752)  (  8.639,   3.206,   0.752)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       ( -1.860, -10.840,  31.164)  ( -1.831, -10.812,  31.192)  ( 1.59,  0.26,  0.09)
170:     bond    ( 59.323, -67.341, -22.835)  ( 59.341, -67.322, -22.816)  ( 0.03,  0.03,  0.08)
170:     angle   (-73.315,  25.387,  34.174)  (-73.305,  25.396,  34.183)  ( 0.01,  0.03,  0.03)
170:     torsion ( 17.309,   4.534,  25.099)  ( 17.310,   4.534,  25.101)  ( 0.00,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -5.178,  26.580,  -5.275)  ( -5.177,  26.580,  -5.275)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       (-12.415, -17.062, -31.821)  (-12.385, -17.032, -31.792)  ( 0.24,  0.17,  0.09)
170:     bond    (-106.875,  -6.292, -41.131)  (-106.856,  -6.274, -41.113)  ( 0.02,  0.29,  0.04)
170:     angle   ( 56.550,  -8.060,  40.383)  ( 56.559,  -8.051,  40.392)  ( 0.02,  0.12,  0.02)
170:     torsion ( 10.529,  -5.637, -24.337)  ( 10.530,  -5.635, -24.336)  ( 0.00,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 27.381,   2.927,  -6.735)  ( 27.381,   2.928,  -6.735)  ( 0.00,  0.02,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       (-21.251,   7.931,  21.259)  (-21.222,   7.962,  21.288)  ( 0.14,  0.38,  0.14)
170:     bond    ( 23.687, -49.666, 112.171)  ( 23.705, -49.648, 112.191)  ( 0.08,  0.04,  0.02)
170:     angle   (  5.209,  34.652, -63.076)  (  5.219,  34.662, -63.067)  ( 0.18,  0.03,  0.01)
170:     torsion (-21.776,  -6.463,   0.221)  (-21.775,  -6.461,   0.222)  ( 0.01,  0.02,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-28.372,  29.408, -28.058)  (-28.371,  29.410, -28.058)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       ( 24.080, -69.418, -20.760)  ( 24.120, -69.382, -20.722)  ( 0.16,  0.05,  0.18)
170:     bond    (135.254, -12.790, -16.925)  (135.277, -12.771, -16.904)  ( 0.02,  0.15,  0.12)
170:     angle   (-108.854, -51.139, -21.709)  (-108.838, -51.125, -21.694)  ( 0.01,  0.03,  0.07)
170:     torsion (-15.523, -14.689,  20.072)  (-15.522, -14.687,  20.073)  ( 0.01,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 13.203,   9.200,  -2.198)  ( 13.203,   9.201,  -2.198)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       (  5.068,  -3.362,  12.702)  (  5.098,  -3.332,  12.731)  ( 0.59,  0.88,  0.24)
170:     bond    ( 36.092, -60.119, -133.482)  ( 36.109, -60.101, -133.463)  ( 0.05,  0.03,  0.01)
170:     angle   (-21.003,  23.373,  98.749)  (-20.993,  23.382,  98.758)  ( 0.05,  0.04,  0.01)
170:     torsion (  4.464, -11.648,   6.174)  (  4.466, -11.646,   6.175)  ( 0.03,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-14.485,  45.031,  41.261)  (-14.484,  45.032,  41.261)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       ( -1.075,  35.661, -27.232)  ( -1.043,  35.694, -27.200)  ( 3.02,  0.09,  0.12)
170:     bond    (-59.491, -98.316, 109.543)  (-59.471, -98.297, 109.562)  ( 0.03,  0.02,  0.02)
170:     angle   ( 78.747,  50.708, -103.048)  ( 78.758,  50.719, -103.037)  ( 0.01,  0.02,  0.01)
170:     torsion ( -2.005,  47.425,  -9.989)  ( -2.004,  47.427,  -9.987)  ( 0.04,  0.00,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-18.327,  35.843, -23.738)  (-18.326,  35.844, -23.737)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       (-21.460,  28.710,  24.501)  (-21.427,  28.742,  24.531)  ( 0.16,  0.11,  0.13)
170:     bond    (149.796, -96.925, -10.303)  (149.815, -96.904, -10.285)  ( 0.01,  0.02,  0.18)
170:     angle   (-115.617,  81.993,  71.317)  (-115.605,  82.004,  71.327)  ( 0.01,  0.01,  0.01)
170:     torsion (-28.846,  17.622,   6.086)  (-28.845,  17.623,   6.089)  ( 0.00,  0.01,  0.04)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-26.793,  26.019, -42.600)  (-26.792,  26.020, -42.599)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 25       (  4.159, -42.273, -21.119)  (  4.195, -42.234, -21.085)  ( 0.87,  0.09,  0.16)
170:     bond    (-129.458,  -4.452, 152.042)  (-129.438,  -4.431, 152.061)  ( 0.02,  0.47,  0.01)
170:     angle   (127.747, -66.671, -101.924)  (127.761, -66.657, -101.913)  ( 0.01,  0.02,  0.01)
170:     torsion ( 15.740, -13.912, -52.855)  ( 15.741, -13.910, -52.852)  ( 0.01,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -9.870,  42.763, -18.381)  ( -9.869,  42.764, -18.381)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 26       ( 54.252,   2.864,  38.220)  ( 54.289,   2.927,  38.404)  ( 0.07,  2.20,  0.48)
170:     bond    (116.744,   8.696, -58.261)  (116.765,   8.717, -58.240)  ( 0.02,  0.24,  0.04)
170:     angle   (-44.442, -21.743,  72.828)  (-44.426, -21.729,  72.841)  ( 0.04,  0.07,  0.02)
170:     torsion ( -9.082,  -1.376,  27.007)  ( -9.081,  -1.373,  27.010)  ( 0.01,  0.19,  0.01)
170:     oop     (  0.010,  -0.147,  -0.875)  (  0.007,  -0.123,  -0.729)  ( 0.00,  0.36, 12.86)
170:     vdw     ( -8.978,  17.434,  -2.478)  ( -8.977,  17.435,  -2.478)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 27       ( -4.690,  -0.608, -12.611)  ( -4.661,  -0.578, -12.582)  ( 0.63,  1.82,  0.24)
170:     bond    ( 38.557, -66.637, -124.644)  ( 38.575, -66.619, -124.625)  ( 0.05,  0.03,  0.02)
170:     angle   (-16.684,  68.990,  73.148)  (-16.674,  69.000,  73.157)  ( 0.06,  0.01,  0.01)
170:     torsion (-18.479, -14.465,   0.974)  (-18.478, -14.463,   0.974)  ( 0.01,  0.01,  0.04)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.085,  11.503,  37.911)  ( -8.084,  11.504,  37.911)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 28       (141.957,  62.584,  24.275)  (141.982,  62.594,  24.302)  ( 0.02,  0.02,  0.11)
170:     bond    (187.677,  96.952,   6.946)  (187.700,  96.958,   6.963)  ( 0.01,  0.01,  0.25)
170:     angle   (-29.664,   0.677,  50.012)  (-29.662,   0.680,  50.021)  ( 0.01,  0.21,  0.02)
170:     torsion ( -0.245, -22.328, -25.408)  ( -0.245, -22.328, -25.407)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-15.811, -12.717,  -7.275)  (-15.810, -12.717,  -7.275)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 29       ( 44.583,  -7.909, -27.026)  ( 44.587,  -7.903, -27.014)  ( 0.01,  0.08,  0.04)
170:     bond    (  3.150,  -7.872, -16.573)  (  3.150,  -7.869, -16.562)  ( 0.01,  0.03,  0.07)
170:     angle   ( -2.086,  -9.527,   4.128)  ( -2.083,  -9.524,   4.129)  ( 0.15,  0.03,  0.02)
170:     torsion ( 36.936,   6.164,   4.096)  ( 36.937,   6.164,   4.096)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  6.582,   3.325, -18.678)  (  6.583,   3.326, -18.677)  ( 0.01,  0.02,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 30       (-15.966,  20.151,  24.480)  (-15.961,  20.156,  24.493)  ( 0.03,  0.03,  0.05)
170:     bond    ( -7.259,  10.575,  35.044)  ( -7.259,  10.576,  35.056)  ( 0.00,  0.01,  0.03)
170:     angle   ( -6.563,   7.386,  -3.588)  ( -6.559,   7.389,  -3.587)  ( 0.05,  0.04,  0.01)
170:     torsion (-23.887,  13.197,  -8.927)  (-23.886,  13.198,  -8.927)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 21.742, -11.007,   1.952)  ( 21.743, -11.006,   1.952)  ( 0.01,  0.01,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 31       ( 28.424,   7.133, -42.440)  ( 28.429,   7.138, -42.428)  ( 0.02,  0.08,  0.03)
170:     bond    (  3.220,  -5.723, -17.457)  (  3.220,  -5.722, -17.445)  ( 0.01,  0.02,  0.07)
170:     angle   ( -2.774,  10.732,  -4.033)  ( -2.771,  10.735,  -4.032)  ( 0.12,  0.03,  0.01)
170:     torsion ( 22.776,  30.753,  -5.883)  ( 22.777,  30.754,  -5.883)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  5.202, -28.629, -15.067)  (  5.203, -28.628, -15.067)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 32       ( 94.571,  22.195, -55.139)  ( 94.577,  22.200, -55.127)  ( 0.01,  0.02,  0.02)
170:     bond    (  6.823, -15.057, -30.941)  (  6.824, -15.054, -30.931)  ( 0.01,  0.02,  0.03)
170:     angle   ( 14.968,  11.099,  -2.101)  ( 14.971,  11.102,  -2.101)  ( 0.02,  0.03,  0.03)
170:     torsion ( 41.437,  24.281,  -2.676)  ( 41.437,  24.281,  -2.676)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 31.343,   1.871, -19.420)  ( 31.344,   1.872, -19.420)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 33       (-25.643,   6.133, -28.436)  (-25.635,   6.137, -28.427)  ( 0.03,  0.06,  0.03)
170:     bond    (-20.780,   4.981, -23.834)  (-20.774,   4.982, -23.826)  ( 0.03,  0.00,  0.03)
170:     angle   ( 17.263,  -7.511, -16.624)  ( 17.264,  -7.508, -16.622)  ( 0.01,  0.04,  0.01)
170:     torsion (-14.457,   3.681,  13.374)  (-14.456,   3.681,  13.374)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -7.669,   4.981,  -1.353)  ( -7.669,   4.982,  -1.352)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 34       ( 21.404,   9.267,  51.371)  ( 21.409,   9.272,  51.382)  ( 0.03,  0.06,  0.02)
170:     bond    (-15.107,  13.559,  27.613)  (-15.105,  13.561,  27.622)  ( 0.02,  0.02,  0.03)
170:     angle   ( 27.787,  -5.154,  17.724)  ( 27.789,  -5.151,  17.725)  ( 0.01,  0.05,  0.01)
170:     torsion ( 30.926,  -5.029,  19.380)  ( 30.927,  -5.029,  19.381)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-22.202,   5.891, -13.347)  (-22.202,   5.891, -13.346)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 35       ( 16.406, -38.434, -25.285)  ( 16.411, -38.430, -25.273)  ( 0.03,  0.01,  0.05)
170:     bond    (  9.915,  -9.714, -27.660)  (  9.916,  -9.713, -27.649)  ( 0.01,  0.01,  0.04)
170:     angle   ( 12.153,  -6.961,   6.804)  ( 12.156,  -6.959,   6.804)  ( 0.02,  0.03,  0.01)
170:     torsion (  0.506, -26.055,   9.335)  (  0.506, -26.055,   9.335)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -6.167,   4.296, -13.763)  ( -6.166,   4.297, -13.763)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 36       ( -0.427,  41.149, -10.757)  ( -0.423,  41.163, -10.754)  ( 0.18,  0.03,  0.03)
170:     bond    ( -6.965,  35.011,  -3.353)  ( -6.964,  35.024,  -3.353)  ( 0.01,  0.04,  0.00)
170:     angle   ( 10.464,   3.532,  15.148)  ( 10.467,   3.532,  15.151)  ( 0.03,  0.01,  0.02)
170:     torsion (  7.604,   0.364, -11.995)  (  7.604,   0.364, -11.994)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-11.531,   2.243, -10.558)  (-11.530,   2.243, -10.558)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 37       ( -8.832,  62.541,  30.027)  ( -8.828,  62.544,  30.039)  ( 0.05,  0.00,  0.04)
170:     bond    (-10.934,   3.951,  30.250)  (-10.933,   3.951,  30.262)  ( 0.01,  0.00,  0.04)
170:     angle   ( -6.824,  19.150,  -4.966)  ( -6.821,  19.152,  -4.965)  ( 0.04,  0.01,  0.01)
170:     torsion ( -0.136,  45.168,  -5.947)  ( -0.136,  45.168,  -5.947)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  9.062,  -5.728,  10.689)  (  9.063,  -5.727,  10.689)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 38       (  3.940, -39.525,  28.389)  (  3.944, -39.511,  28.392)  ( 0.12,  0.03,  0.01)
170:     bond    (  5.472, -27.716,  -2.162)  (  5.472, -27.702,  -2.162)  ( 0.01,  0.05,  0.00)
170:     angle   ( 28.211,   6.634, -13.586)  ( 28.215,   6.634, -13.584)  ( 0.01,  0.00,  0.02)
170:     torsion (-11.974,  -5.473,  39.824)  (-11.973,  -5.473,  39.824)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-17.770, -12.970,   4.314)  (-17.769, -12.970,   4.314)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 39       (-11.360,   9.849, -23.675)  (-11.361,   9.882, -23.568)  ( 0.01,  0.33,  0.45)
170:     bond    ( -1.097,  20.505,  -3.627)  ( -1.097,  20.519,  -3.627)  ( 0.01,  0.07,  0.01)
170:     angle   (-28.664,  -1.892,  -2.033)  (-28.661,  -1.892,  -2.033)  ( 0.01,  0.00,  0.00)
170:     torsion (  2.012,  -3.156, -18.466)  (  2.012,  -3.156, -18.462)  ( 0.00,  0.00,  0.02)
170:     oop     (  0.044,  -0.132,  -0.759)  (  0.038,  -0.114,  -0.657)  ( 0.02,  0.23,  7.78)
170:     vdw     ( 16.346,  -5.476,   1.211)  ( 16.347,  -5.476,   1.211)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 40       ( 36.308,   6.034,  29.955)  ( 36.314,   6.038,  29.964)  ( 0.02,  0.07,  0.03)
170:     bond    ( 18.767, -10.397,  28.481)  ( 18.771, -10.396,  28.490)  ( 0.02,  0.01,  0.03)
170:     angle   ( -1.700,   6.406,   3.457)  ( -1.698,   6.409,   3.458)  ( 0.11,  0.05,  0.02)
170:     torsion ( 16.501,  18.716,  -4.044)  ( 16.502,  18.716,  -4.043)  ( 0.00,  0.00,  0.00)
178: # Unit tests for OBLogP and OBPSA 
178: 1..7
178: ok 1
178: ok 2 # 1.4008
178: ok 3 # 29.46
178: ok 4 # 2.5815
178: ok 5 # 0
178: ok 6 # 2.0264
178: ok 7 # 29.1
15: /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
173/208 Test #178: test_logp_psa_1 ..................   Passed    0.26 sec
174/208 Test #179: test_math_1 ......................   Passed    0.23 sec
175/208 Test #180: test_math_2 ......................   Passed    0.22 sec
test 181
        Start 181: test_math_3
181: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "math" "3"
181: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
181: Environment variables: 
181:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
181:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
181: Test timeout computed to be: 1500
test 182
        Start 182: test_math_4
182: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "math" "4"
182: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
182: Environment variables: 
182:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
182:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
182: Test timeout computed to be: 1500
test 183
        Start 183: test_mol_1
183: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "mol" "1"
183: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
183: Environment variables: 
183:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
183:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
183: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fpd_q4a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fpm_793.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fqe_p5c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fqh_057.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fqk_79z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fqo_n22.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fqs_585.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fqv_11f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fr0_ajb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fr2_8ca.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fr3_gds.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fr4_f8a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fr5_i4a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fra_i2h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3frb_top.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3frc_0hg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3frg_sk4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3frj_a49.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3frz_ag0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fsf_fss.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fsk_ro6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fst_mry.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ft8_moj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ftu_re2.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fty_3ip.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ftz_848.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fu0_22f.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fu5_492.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fu6_80g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fu7_d2m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fu8_3dm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fu9_kib.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fue_11s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fue_bes.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fuf_14o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fug_2e3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fuh_5h1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fui_812.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fuj_00g.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fun_798.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fur_z12.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fv1_dyh.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fv4_1u4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fv5_1eu.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fvg_ms8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fvi_osf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fvk_8dx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fvl_bhk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fvn_9dx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fvo_8ep.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fvp_ub2.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fw9_slx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fwa_ren.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fx4_fx4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fx6_bpx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fxp_d38.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fxv_643.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fxw_f10.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fxz_fll.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 5 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 6 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fy1_na1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fy9_xcf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fyk_b98.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fzh_3bh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fzk_3bk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fzl_3fd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fzm_3go.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fzn_d7k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fzr_3jz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3fzt_4jz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g0b_t22.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g0c_ruf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g0e_b49.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g0g_rum.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g0u_mdy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g0w_lgb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g0x_md7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g0y_p9a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g11_p9c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g15_hc6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g1f_2om.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g1h_h2u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g1l_rf2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g1m_rf3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g1o_rf1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g1r_fit.sdf
168:     torsion (  0.144,  -0.049,  -1.174)  (  0.144,  -0.049,  -1.173)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.036,   0.013,   0.294)  ( -0.031,   0.011,   0.258)  ( 0.02,  0.00,  1.06)
168:     vdw     (-11.558,  -6.965,   1.339)  (-11.558,  -6.965,   1.339)  ( 0.00,  0.00,  0.00)
168:     electro (  0.027,   1.039,  -0.487)  (  0.027,   1.039,  -0.487)  ( 0.00,  0.00,  0.00)
168: 35       ( -7.756,   8.365,  -1.689)  ( -7.753,   8.368,  -1.689)  ( 0.05,  0.03,  0.01)
168:     bond    (  0.234,   0.187,   0.015)  (  0.238,   0.189,   0.015)  ( 0.08,  0.04,  0.00)
168:     angle   ( -9.135,  11.640,  -1.684)  ( -9.135,  11.640,  -1.684)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( -1.252,  -0.773,  -0.092)  ( -1.252,  -0.773,  -0.092)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.050,  -0.027,  -0.452)  (  0.050,  -0.027,  -0.452)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.204,   0.155,  -0.034)  ( -0.204,   0.155,  -0.034)  ( 0.00,  0.00,  0.00)
168:     electro (  2.552,  -2.816,   0.559)  (  2.552,  -2.816,   0.559)  ( 0.00,  0.00,  0.00)
168: 36       ( -0.111,   1.138,   0.003)  ( -0.104,   1.142,   0.008)  ( 0.07,  0.35,  0.00)
168:     bond    (  1.340,  -4.011,  -2.272)  (  1.346,  -4.008,  -2.268)  ( 0.45,  0.07,  0.18)
168:     angle   ( -1.289,   0.664,   1.982)  ( -1.288,   0.666,   1.984)  ( 0.08,  0.10,  0.10)
168:     strbnd  (  0.232,  -0.792,   0.487)  (  0.231,  -0.793,   0.486)  ( 0.02,  0.03,  0.03)
168:     torsion ( -1.155,   0.195,  -0.282)  ( -1.155,   0.195,  -0.282)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.717,   5.471,   0.093)  (  0.717,   5.471,   0.093)  ( 0.00,  0.00,  0.00)
168:     electro (  0.045,  -0.389,  -0.005)  (  0.045,  -0.389,  -0.005)  ( 0.00,  0.00,  0.00)
168: 37       ( -0.129,   0.971,   0.072)  ( -0.124,   0.976,   0.078)  ( 0.06,  0.47,  0.05)
168:     bond    (  1.435,  -3.700,  -1.718)  (  1.438,  -3.696,  -1.713)  ( 0.27,  0.10,  0.31)
168:     angle   (  0.328,   0.545,   0.556)  (  0.329,   0.546,   0.558)  ( 0.03,  0.08,  0.12)
168:     strbnd  ( -0.069,  -0.300,   0.440)  ( -0.069,  -0.301,   0.439)  ( 0.00,  0.01,  0.04)
168:     torsion (  0.956,   0.601,   0.479)  (  0.956,   0.601,   0.479)  ( 0.01,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.832,   4.136,   0.355)  ( -2.832,   4.136,   0.355)  ( 0.00,  0.00,  0.00)
168:     electro (  0.053,  -0.310,  -0.040)  (  0.053,  -0.310,  -0.040)  ( 0.00,  0.00,  0.00)
168: 38       (  0.456,  -0.099,   0.104)  (  0.457,  -0.097,   0.106)  ( 0.05,  0.01,  0.02)
168:     bond    (  0.435,  -0.767,   0.899)  (  0.435,  -0.766,   0.901)  ( 0.02,  0.11,  0.17)
168:     angle   (  0.496,   0.229,  -0.045)  (  0.496,   0.229,  -0.045)  ( 0.03,  0.00,  0.00)
168:     strbnd  ( -0.157,   0.213,  -0.446)  ( -0.157,   0.213,  -0.446)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.563,  -0.012,  -0.282)  (  0.563,  -0.012,  -0.283)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.724,   0.200,   0.015)  ( -0.724,   0.200,   0.015)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.156,   0.039,  -0.036)  ( -0.156,   0.039,  -0.036)  ( 0.00,  0.00,  0.00)
168: 39       (  0.251,   0.090,  -0.113)  (  0.254,   0.090,  -0.111)  ( 0.05,  0.01,  0.02)
168:     bond    (  0.863,   0.325,  -0.866)  (  0.864,   0.325,  -0.865)  ( 0.15,  0.01,  0.15)
168:     angle   (  0.432,  -1.789,  -0.241)  (  0.433,  -1.789,  -0.241)  ( 0.01,  0.02,  0.01)
168:     strbnd  ( -0.148,  -0.179,   0.111)  ( -0.148,  -0.179,   0.111)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.500,  -0.248,   0.406)  (  0.500,  -0.248,   0.406)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.310,   2.013,   0.436)  ( -1.310,   2.013,   0.436)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.085,  -0.032,   0.042)  ( -0.085,  -0.032,   0.042)  ( 0.00,  0.00,  0.00)
168: 40       ( -0.318,  -0.258,  -0.145)  ( -0.317,  -0.256,  -0.144)  ( 0.04,  0.05,  0.02)
168:     bond    ( -0.592,  -0.813,   0.455)  ( -0.591,  -0.811,   0.456)  ( 0.06,  0.16,  0.03)
168:     angle   ( -0.349,   0.064,  -0.339)  ( -0.348,   0.064,  -0.339)  ( 0.01,  0.00,  0.02)
168:     strbnd  (  0.254,   0.177,  -0.194)  (  0.254,   0.177,  -0.194)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.231,  -0.135,  -0.540)  ( -0.231,  -0.135,  -0.540)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.504,   0.376,   0.413)  (  0.504,   0.376,   0.413)  ( 0.00,  0.00,  0.00)
168:     electro (  0.096,   0.073,   0.060)  (  0.096,   0.073,   0.060)  ( 0.00,  0.00,  0.00)
168: 41       ( -0.173,   0.248,  -0.228)  ( -0.172,   0.248,  -0.225)  ( 0.01,  0.01,  0.08)
168:     bond    ( -0.265,   0.213,  -1.387)  ( -0.265,   0.213,  -1.384)  ( 0.00,  0.00,  0.25)
168:     angle   ( -0.002,  -0.794,  -0.122)  ( -0.001,  -0.793,  -0.122)  ( 0.00,  0.04,  0.00)
168:     strbnd  (  0.104,  -0.149,   0.254)  (  0.104,  -0.149,   0.254)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.534,  -0.473,   0.029)  ( -0.534,  -0.473,   0.029)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.465,   1.537,   0.914)  (  0.465,   1.537,   0.914)  ( 0.00,  0.00,  0.00)
168:     electro (  0.059,  -0.086,   0.083)  (  0.059,  -0.086,   0.083)  ( 0.00,  0.00,  0.00)
168: 42       ( -0.367,   0.133,   0.950)  ( -0.366,   0.134,   0.953)  ( 0.02,  0.01,  0.31)
168:     bond    ( -1.424,  -0.121,   4.422)  ( -1.424,  -0.120,   4.425)  ( 0.03,  0.00,  0.07)
168:     angle   (  0.750,  -1.072,   0.212)  (  0.750,  -1.071,   0.212)  ( 0.02,  0.08,  0.00)
168:     strbnd  (  0.500,  -0.190,  -1.471)  (  0.500,  -0.190,  -1.471)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.246,   0.662,  -0.061)  ( -0.246,   0.662,  -0.061)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.074,   0.895,  -1.822)  ( -0.074,   0.895,  -1.822)  ( 0.00,  0.00,  0.00)
168:     electro (  0.127,  -0.042,  -0.330)  (  0.127,  -0.042,  -0.330)  ( 0.00,  0.00,  0.00)
168: ok 24 # gradients 
168: ok 25 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       ( -0.279,  -0.003,   0.123)  ( -0.272,   0.001,   0.128)  ( 0.21,  0.00,  0.06)
168:     bond    (  0.405,   3.441,   0.242)  (  0.412,   3.445,   0.242)  ( 0.28,  0.13,  0.00)
168:     angle   ( -0.409,   0.650,  -0.195)  ( -0.408,   0.652,  -0.195)  ( 0.06,  0.11,  0.00)
168:     strbnd  ( -0.322,  -4.041,  -0.254)  ( -0.322,  -4.042,  -0.254)  ( 0.01,  0.03,  0.00)
168:     torsion ( -0.032,  -0.018,   0.320)  ( -0.032,  -0.018,   0.321)  ( 0.00,  0.00,  0.03)
168:     oop     (  0.002,   0.001,  -0.014)  (  0.001,   0.001,  -0.011)  ( 0.00,  0.00,  0.01)
168:     vdw     ( -0.047,  -0.020,  -0.019)  ( -0.047,  -0.020,  -0.019)  ( 0.00,  0.00,  0.00)
168:     electro (  0.124,  -0.017,   0.043)  (  0.124,  -0.017,   0.043)  ( 0.00,  0.00,  0.00)
168:  2       (  0.100,  -0.168,  -0.063)  (  0.104,  -0.161,  -0.045)  ( 0.04,  0.12,  0.11)
168:     bond    (  3.541,  -2.137,   0.264)  (  3.546,  -2.131,   0.265)  ( 0.15,  0.30,  0.00)
168:     angle   (  1.746,   1.275,   0.298)  (  1.748,   1.277,   0.298)  ( 0.10,  0.14,  0.00)
168:     strbnd  ( -2.090,   1.285,  -0.146)  ( -2.091,   1.285,  -0.146)  ( 0.05,  0.01,  0.00)
168:     torsion (  0.033,   0.016,  -0.297)  (  0.034,   0.016,  -0.296)  ( 0.00,  0.00,  0.04)
168:     oop     (  0.010,   0.005,  -0.088)  (  0.009,   0.004,  -0.072)  ( 0.00,  0.00,  0.14)
168:     vdw     ( -3.041,  -0.539,  -0.132)  ( -3.041,  -0.539,  -0.132)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.101,  -0.072,   0.038)  ( -0.101,  -0.072,   0.038)  ( 0.00,  0.00,  0.00)
168:  3       ( -1.433,   0.619,   0.080)  ( -1.416,   0.635,  -0.042)  ( 1.17,  0.98,  0.97)
168:     bond    ( 10.808,   8.532,   1.851)  ( 10.812,   8.538,   1.851)  ( 0.04,  0.07,  0.01)
168:     angle   ( -1.280, -12.576,  -1.628)  ( -1.278, -12.574,  -1.628)  ( 0.16,  0.02,  0.03)
168:     strbnd  ( -2.662,  -2.231,  -0.989)  ( -2.662,  -2.232,  -0.989)  ( 0.02,  0.03,  0.01)
168:     torsion ( -0.153,   0.061,   1.120)  ( -0.153,   0.061,   1.121)  ( 0.00,  0.00,  0.09)
168:     oop     ( -0.073,  -0.051,   0.782)  ( -0.062,  -0.043,   0.659)  ( 0.08,  0.04,  9.60)
168:     vdw     ( -8.513,   7.070,  -1.049)  ( -8.513,   7.070,  -1.049)  ( 0.00,  0.00,  0.00)
168:     electro (  0.441,  -0.186,  -0.007)  (  0.441,  -0.186,  -0.007)  ( 0.00,  0.00,  0.00)
168:  4       (  2.087,   0.080,  -0.569)  (  2.064,   0.060,  -0.243)  ( 1.08,  0.16, 18.58)
168:     bond    ( 20.270,  -4.350,   1.475)  ( 20.275,  -4.343,   1.476)  ( 0.02,  0.15,  0.01)
168:     angle   ( 12.458,  12.739,   3.115)  ( 12.460,  12.741,   3.115)  ( 0.02,  0.01,  0.01)
168:     strbnd  (-17.883,  -3.513,  -1.809)  (-17.884,  -3.514,  -1.809)  ( 0.01,  0.03,  0.00)
168:     torsion (  0.036,   0.065,  -1.684)  (  0.036,   0.065,  -1.683)  ( 0.00,  0.00,  0.04)
168:     oop     (  0.171,   0.149,  -1.871)  (  0.143,   0.122,  -1.545)  ( 0.48,  0.40, 17.39)
168:     vdw     (-12.241,  -4.949,   0.142)  (-12.241,  -4.949,   0.142)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.725,  -0.061,   0.062)  ( -0.725,  -0.061,   0.062)  ( 0.00,  0.00,  0.00)
168:  5       ( -2.687,  -1.178,   0.039)  ( -2.683,  -1.173,   0.054)  ( 0.13,  0.48,  0.06)
168:     bond    (  1.518, -21.327,  -9.249)  (  1.522, -21.323,  -9.244)  ( 0.25,  0.02,  0.05)
168:     angle   ( -8.489,  14.472,   7.087)  ( -8.487,  14.475,   7.088)  ( 0.02,  0.02,  0.02)
168:     strbnd  ( 11.557,   1.653,   2.302)  ( 11.556,   1.652,   2.302)  ( 0.01,  0.05,  0.02)
168:     torsion ( -0.182,   0.061,  -1.411)  ( -0.182,   0.061,  -1.410)  ( 0.00,  0.00,  0.02)
168:     oop     (  0.005,   0.003,  -0.040)  (  0.004,   0.002,  -0.031)  ( 0.00,  0.00,  0.04)
168:     vdw     ( -7.969,   3.574,   1.404)  ( -7.968,   3.574,   1.404)  ( 0.00,  0.00,  0.00)
168:     electro (  0.873,   0.387,  -0.055)  (  0.873,   0.387,  -0.055)  ( 0.00,  0.00,  0.00)
168:  6       (  0.018,  -0.397,   0.001)  (  0.029,  -0.386,  -0.079)  ( 0.02,  0.42,  0.01)
168:     bond    ( -9.999,  -4.566,  -1.383)  ( -9.996,  -4.563,  -1.383)  ( 0.03,  0.06,  0.00)
168:     angle   (  0.723,  -4.226,  -0.076)  (  0.723,  -4.225,  -0.077)  ( 0.04,  0.03,  0.00)
168:     strbnd  ( 12.551,   6.889,   1.807)  ( 12.551,   6.889,   1.807)  ( 0.00,  0.01,  0.00)
168:     torsion (  0.080,   0.020,  -0.668)  (  0.080,   0.020,  -0.667)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.057,  -0.045,   0.532)  ( -0.048,  -0.038,   0.452)  ( 0.05,  0.03,  4.28)
168:     vdw     ( -3.283,   1.455,  -0.244)  ( -3.283,   1.455,  -0.244)  ( 0.00,  0.00,  0.00)
168:     electro (  0.002,   0.077,   0.032)  (  0.002,   0.077,   0.032)  ( 0.00,  0.00,  0.00)
168:  7       (  3.021,   6.551,  -0.598)  (  3.026,   6.556,  -0.596)  ( 0.16,  0.08,  0.15)
168:     bond    ( 10.203,   5.616,  25.277)  ( 10.207,   5.620,  25.278)  ( 0.04,  0.07,  0.00)
168:     angle   (-14.427,   4.571, -29.699)  (-14.425,   4.572, -29.697)  ( 0.01,  0.03,  0.01)
168:     strbnd  (  1.147,  -1.228,  -0.703)  (  1.146,  -1.229,  -0.703)  ( 0.05,  0.04,  0.03)
168:     torsion (  1.193,  -0.605,  -0.282)  (  1.193,  -0.605,  -0.282)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  5.912,   0.367,   4.636)  (  5.912,   0.367,   4.636)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.008,  -2.170,   0.172)  ( -1.008,  -2.170,   0.172)  ( 0.00,  0.00,  0.00)
168:  8       ( -0.124,  -0.019,  -0.296)  ( -0.123,  -0.017,  -0.295)  ( 0.01,  0.01,  0.03)
168:     bond    ( -0.019,  -0.836,   0.410)  ( -0.019,  -0.833,   0.411)  ( 0.00,  0.23,  0.03)
168:     angle   (  4.770,  -0.609,  -1.012)  (  4.771,  -0.609,  -1.012)  ( 0.01,  0.01,  0.04)
168:     strbnd  (  0.249,   0.128,  -1.740)  (  0.249,   0.128,  -1.740)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.173,  -0.083,  -0.176)  ( -0.173,  -0.083,  -0.176)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -4.951,   1.380,   2.222)  ( -4.951,   1.380,   2.222)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  9       ( -0.069,   0.131,  -0.224)  ( -0.068,   0.132,  -0.221)  ( 0.01,  0.01,  0.07)
168:     bond    ( -0.548,  -0.489,  -3.470)  ( -0.548,  -0.489,  -3.467)  ( 0.01,  0.00,  0.09)
168:     angle   (  2.634,  -1.083,  -0.264)  (  2.635,  -1.082,  -0.264)  ( 0.02,  0.05,  0.00)
168:     strbnd  (  0.419,  -1.396,   0.765)  (  0.419,  -1.396,   0.765)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.167,  -0.223,   0.058)  ( -0.167,  -0.223,   0.058)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.406,   3.323,   2.687)  ( -2.406,   3.323,   2.687)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 10       (  0.125,  -1.325,   0.049)  (  0.131,  -1.320,   0.054)  ( 0.07,  0.40,  0.03)
168:     bond    (-15.381,  12.089, -12.058)  (-15.377,  12.093, -12.053)  ( 0.02,  0.04,  0.04)
168:     angle   (  8.484, -11.406,  11.903)  (  8.487, -11.404,  11.904)  ( 0.03,  0.02,  0.01)
168:     strbnd  (  4.060,   9.673,   0.443)  (  4.059,   9.672,   0.443)  ( 0.02,  0.01,  0.02)
168:     torsion (  1.330,  -0.770,  -1.490)  (  1.330,  -0.769,  -1.490)  ( 0.01,  0.00,  0.01)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.699, -11.336,   1.328)  (  1.699, -11.336,   1.328)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.066,   0.423,  -0.077)  ( -0.066,   0.423,  -0.077)  ( 0.00,  0.00,  0.00)
168: 11       (  0.736,   2.170,  -0.004)  (  0.752,   2.188,  -0.139)  ( 1.17,  0.84,  0.05)
168:     bond    (  9.639,  15.878,   4.037)  (  9.642,  15.883,   4.041)  ( 0.04,  0.03,  0.11)
168:     angle   ( -9.172,  -2.161,  -6.458)  ( -9.170,  -2.158,  -6.456)  ( 0.02,  0.11,  0.02)
168:     strbnd  (  1.149,  -6.264,  -0.982)  (  1.147,  -6.265,  -0.982)  ( 0.10,  0.02,  0.04)
168:     torsion ( -0.350,  -0.442,   3.225)  ( -0.350,  -0.442,   3.225)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.054,  -0.059,   0.659)  ( -0.042,  -0.046,   0.518)  ( 0.06,  0.07,  9.28)
168:     vdw     ( -0.242,  -4.058,  -0.450)  ( -0.242,  -4.058,  -0.450)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.233,  -0.725,  -0.034)  ( -0.233,  -0.725,  -0.034)  ( 0.00,  0.00,  0.00)
168: 12       (  0.007,   0.058,  -0.013)  (  0.009,   0.059,  -0.013)  ( 0.00,  0.01,  0.00)
181: # math: repeating each test 1000 times
181: # Testing MMFF94 Force Field...
181: # math: entering testInversion
181: ok 1
181: ok 2
181: ok 3
181: ok 4
181: ok 5
181: ok 6
181: ok 7
181: ok 8
181: ok 9
181: ok 10
181: ok 11
181: ok 12
181: ok 13
181: ok 14
181: ok 15
181: ok 16
181: ok 17
181: ok 18
181: ok 19
181: ok 20
181: ok 21
181: ok 22
181: ok 23
181: ok 24
181: ok 25
181: ok 26
181: ok 27
181: ok 28
181: ok 29
181: ok 30
181: ok 31
181: ok 32
181: ok 33
181: ok 34
181: ok 35
181: ok 36
181: ok 37
181: ok 38
181: ok 39
181: ok 40
181: ok 41
181: ok 42
181: ok 43
181: ok 44
181: ok 45
181: ok 46
181: ok 47
181: ok 48
181: ok 49
181: ok 50
181: ok 51
181: ok 52
181: ok 53
181: ok 54
181: ok 55
181: ok 56
181: ok 57
181: ok 58
181: ok 59
181: ok 60
181: ok 61
181: ok 62
181: ok 63
181: ok 64
181: ok 65
181: ok 66
181: ok 67
181: ok 68
181: ok 69
181: ok 70
181: ok 71
181: ok 72
181: ok 73
181: ok 74
181: ok 75
181: ok 76
181: ok 77
181: ok 78
181: ok 79
181: ok 80
181: ok 81
181: ok 82
181: ok 83
181: ok 84
181: ok 85
181: ok 86
181: ok 87
181: ok 88
181: ok 89
181: ok 90
181: ok 91
181: ok 92
181: ok 93
181: ok 94
181: ok 95
181: ok 96
181: ok 97
181: ok 98
181: ok 99
181: ok 100
181: ok 101
181: ok 102
181: ok 103
181: ok 104
181: ok 105
181: ok 106
181: ok 107
181: ok 108
181: ok 109
181: ok 110
181: ok 111
181: ok 112
181: ok 113
181: ok 114
181: ok 115
181: ok 116
181: ok 117
181: ok 118
181: ok 119
181: ok 120
181: ok 121
181: ok 122
181: ok 123
181: ok 124
181: ok 125
181: ok 126
181: ok 127
181: ok 128
181: ok 129
181: ok 130
181: ok 131
181: ok 132
181: ok 133
181: ok 134
181: ok 135
181: ok 136
181: ok 137
181: ok 138
181: ok 139
181: ok 140
181: ok 141
181: ok 142
181: ok 143
181: ok 144
181: ok 145
181: ok 146
181: ok 147
181: ok 148
181: ok 149
181: ok 150
181: ok 151
181: ok 152
181: ok 153
181: ok 154
181: ok 155
181: ok 156
181: ok 157
181: ok 158
181: ok 159
181: ok 160
181: ok 161
181: ok 162
181: ok 163
181: ok 164
181: ok 165
181: ok 166
181: ok 167
181: ok 168
181: ok 169
181: ok 170
181: ok 171
181: ok 172
181: ok 173
181: ok 174
181: ok 175
181: ok 176
181: ok 177
181: ok 178
181: ok 179
181: ok 180
181: ok 181
181: ok 182
181: ok 183
181: ok 184
181: ok 185
181: ok 186
181: ok 187
181: ok 188
181: ok 189
181: ok 190
181: ok 191
181: ok 192
181: ok 193
181: ok 194
181: ok 195
181: ok 196
181: ok 197
181: ok 198
181: ok 199
181: ok 200
181: ok 201
181: ok 202
181: ok 203
181: ok 204
181: ok 205
181: ok 206
181: ok 207
181: ok 208
181: ok 209
181: ok 210
181: ok 211
181: ok 212
181: ok 213
181: ok 214
181: ok 215
181: ok 216
181: ok 217
181: ok 218
181: ok 219
181: ok 220
181: ok 221
181: ok 222
181: ok 223
181: ok 224
181: ok 225
181: ok 226
181: ok 227
181: ok 228
181: ok 229
181: ok 230
181: ok 231
181: ok 232
181: ok 233
181: ok 234
181: ok 235
181: ok 236
181: ok 237
181: ok 238
181: ok 239
181: ok 240
181: ok 241
181: ok 242
181: ok 243
181: ok 244
181: ok 245
181: ok 246
181: ok 247
181: ok 248
181: ok 249
181: ok 250
181: ok 251
181: ok 252
181: ok 253
181: ok 254
181: ok 255
181: ok 256
181: ok 257
181: ok 258
181: ok 259
181: ok 260
181: ok 261
181: ok 262
181: ok 263
181: ok 264
181: ok 265
181: ok 266
181: ok 267
181: ok 268
181: ok 269
181: ok 270
181: ok 271
181: ok 272
181: ok 273
181: ok 274
181: ok 275
181: ok 276
181: ok 277
181: ok 278
181: ok 279
181: ok 280
181: ok 281
181: ok 282
181: ok 283
181: ok 284
181: ok 285
181: ok 286
181: ok 287
181: ok 288
181: ok 289
181: ok 290
181: ok 291
181: ok 292
181: ok 293
181: ok 294
181: ok 295
181: ok 296
181: ok 297
181: ok 298
181: ok 299
181: ok 300
181: ok 301
181: ok 302
181: ok 303
181: ok 304
181: ok 305
181: ok 306
181: ok 307
181: ok 308
181: ok 309
181: ok 310
181: ok 311
181: ok 312
181: ok 313
181: ok 314
181: ok 315
181: ok 316
181: ok 317
181: ok 318
181: ok 319
181: ok 320
181: ok 321
181: ok 322
181: ok 323
181: ok 324
181: ok 325
181: ok 326
181: ok 327
181: ok 328
181: ok 329
181: ok 330
181: ok 331
181: ok 332
181: ok 333
181: ok 334
181: ok 335
181: ok 336
181: ok 337
181: ok 338
181: ok 339
181: ok 340
181: ok 341
181: ok 342
181: ok 343
181: ok 344
181: ok 345
181: ok 346
181: ok 347
181: ok 348
181: ok 349
181: ok 350
181: ok 351
181: ok 352
181: ok 353
181: ok 354
181: ok 355
181: ok 356
181: ok 357
181: ok 358
181: ok 359
181: ok 360
181: ok 361
181: ok 362
181: ok 363
181: ok 364
181: ok 365
181: ok 366
181: ok 367
181: ok 368
181: ok 369
181: ok 370
181: ok 371
181: ok 372
181: ok 373
181: ok 374
181: ok 375
181: ok 376
181: ok 377
181: ok 378
181: ok 379
181: ok 380
181: ok 381
181: ok 382
181: ok 383
181: ok 384
181: ok 385
181: ok 386
181: ok 387
181: ok 388
181: ok 389
181: ok 390
181: ok 391
181: ok 392
181: ok 393
181: ok 394
181: ok 395
181: ok 396
181: ok 397
181: ok 398
181: ok 399
181: ok 400
181: ok 401
181: ok 402
181: ok 403
181: ok 404
181: ok 405
181: ok 406
181: ok 407
181: ok 408
181: ok 409
181: ok 410
181: ok 411
181: ok 412
181: ok 413
181: ok 414
181: ok 415
181: ok 416
181: ok 417
181: ok 418
181: ok 419
181: ok 420
181: ok 421
181: ok 422
181: ok 423
181: ok 424
181: ok 425
181: ok 426
181: ok 427
181: ok 428
181: ok 429
181: ok 430
181: ok 431
181: ok 432
181: ok 433
181: ok 434
181: ok 435
181: ok 436
181: ok 437
181: ok 438
181: ok 439
181: ok 440
181: ok 441
181: ok 442
181: ok 443
181: ok 444
181: ok 445
181: ok 446
181: ok 447
181: ok 448
181: ok 449
181: ok 450
181: ok 451
181: ok 452
181: ok 453
181: ok 454
181: ok 455
181: ok 456
181: ok 457
181: ok 458
181: ok 459
181: ok 460
181: ok 461
181: ok 462
181: ok 463
181: ok 464
181: ok 465
181: ok 466
181: ok 467
181: ok 468
181: ok 469
181: ok 470
181: ok 471
181: ok 472
181: ok 473
181: ok 474
181: ok 475
181: ok 476
181: ok 477
181: ok 478
181: ok 479
181: ok 480
181: ok 481
181: ok 482
181: ok 483
181: ok 484
181: ok 485
181: ok 486
181: ok 487
181: ok 488
181: ok 489
181: ok 490
181: ok 491
181: ok 492
181: ok 493
181: ok 494
181: ok 495
181: ok 496
181: ok 497
181: ok 498
181: ok 499
181: ok 500
181: ok 501
181: ok 502
181: ok 503
181: ok 504
181: ok 505
181: ok 506
181: ok 507
181: ok 508
181: ok 509
181: ok 510
181: ok 511
181: ok 512
181: ok 513
181: ok 514
181: ok 515
181: ok 516
181: ok 517
181: ok 518
181: ok 519
181: ok 520
181: ok 521
181: ok 522
181: ok 523
181: ok 524
181: ok 525
181: ok 526
181: ok 527
181: ok 528
181: ok 529
181: ok 530
181: ok 531
181: ok 532
181: ok 533
181: ok 534
181: ok 535
181: ok 536
181: ok 537
181: ok 538
181: ok 539
181: ok 540
181: ok 541
181: ok 542
181: ok 543
181: ok 544
181: ok 545
181: ok 546
181: ok 547
181: ok 548
181: ok 549
181: ok 550
181: ok 551
181: ok 552
181: ok 553
181: ok 554
181: ok 555
181: ok 556
181: ok 557
181: ok 558
181: ok 559
181: ok 560
181: ok 561
181: ok 562
181: ok 563
181: ok 564
181: ok 565
181: ok 566
181: ok 567
181: ok 568
181: ok 569
181: ok 570
181: ok 571
181: ok 572
181: ok 573
181: ok 574
181: ok 575
181: ok 576
181: ok 577
181: ok 578
181: ok 579
181: ok 580
181: ok 581
181: ok 582
181: ok 583
181: ok 584
181: ok 585
181: ok 586
181: ok 587
181: ok 588
181: ok 589
181: ok 590
181: ok 591
181: ok 592
181: ok 593
181: ok 594
181: ok 595
181: ok 596
181: ok 597
181: ok 598
181: ok 599
181: ok 600
181: ok 601
181: ok 602
181: ok 603
181: ok 604
181: ok 605
181: ok 606
181: ok 607
181: ok 608
181: ok 609
181: ok 610
181: ok 611
181: ok 612
181: ok 613
181: ok 614
181: ok 615
181: ok 616
181: ok 617
181: ok 618
181: ok 619
181: ok 620
181: ok 621
181: ok 622
181: ok 623
181: ok 624
181: ok 625
181: ok 626
181: ok 627
181: ok 628
181: ok 629
181: ok 630
181: ok 631
181: ok 632
181: ok 633
181: ok 634
181: ok 635
181: ok 636
181: ok 637
181: ok 638
181: ok 639
181: ok 640
181: ok 641
181: ok 642
181: ok 643
181: ok 644
181: ok 645
181: ok 646
181: ok 647
181: ok 648
181: ok 649
181: ok 650
181: ok 651
181: ok 652
181: ok 653
181: ok 654
181: ok 655
181: ok 656
181: ok 657
181: ok 658
181: ok 659
181: ok 660
181: ok 661
181: ok 662
181: ok 663
181: ok 664
181: ok 665
181: ok 666
181: ok 667
181: ok 668
181: ok 669
181: ok 670
181: ok 671
181: ok 672
181: ok 673
181: ok 674
181: ok 675
181: ok 676
181: ok 677
181: ok 678
181: ok 679
181: ok 680
181: ok 681
181: ok 682
181: ok 683
181: ok 684
181: ok 685
181: ok 686
181: ok 687
181: ok 688
181: ok 689
181: ok 690
181: ok 691
181: ok 692
181: ok 693
181: ok 694
181: ok 695
181: ok 696
181: ok 697
181: ok 698
181: ok 699
181: ok 700
181: ok 701
181: ok 702
181: ok 703
181: ok 704
181: ok 705
181: ok 706
181: ok 707
181: ok 708
181: ok 709
181: ok 710
181: ok 711
181: ok 712
181: ok 713
181: ok 714
181: ok 715
181: ok 716
181: ok 717
181: ok 718
181: ok 719
181: ok 720
181: ok 721
181: ok 722
181: ok 723
181: ok 724
181: ok 725
181: ok 726
181: ok 727
181: ok 728
181: ok 729
181: ok 730
181: ok 731
181: ok 732
181: ok 733
181: ok 734
181: ok 735
181: ok 736
181: ok 737
181: ok 738
181: ok 739
181: ok 740
181: ok 741
181: ok 742
181: ok 743
181: ok 744
181: ok 745
181: ok 746
181: ok 747
181: ok 748
181: ok 749
181: ok 750
181: ok 751
181: ok 752
181: ok 753
181: ok 754
181: ok 755
181: ok 756
181: ok 757
181: ok 758
181: ok 759
181: ok 760
181: ok 761
181: ok 762
181: ok 763
181: ok 764
181: ok 765
181: ok 766
181: ok 767
181: ok 768
181: ok 769
181: ok 770
181: ok 771
181: ok 772
181: ok 773
181: ok 774
181: ok 775
181: ok 776
181: ok 777
181: ok 778
181: ok 779
181: ok 780
181: ok 781
181: ok 782
181: ok 783
181: ok 784
181: ok 785
181: ok 786
181: ok 787
181: ok 788
181: ok 789
181: ok 790
181: ok 791
181: ok 792
181: ok 793
181: ok 794
181: ok 795
181: ok 796
181: ok 797
181: ok 798
181: ok 799
181: ok 800
181: ok 801
181: ok 802
181: ok 803
181: ok 804
181: ok 805
181: ok 806
181: ok 807
181: ok 808
181: ok 809
181: ok 810
181: ok 811
181: ok 812
181: ok 813
181: ok 814
181: ok 815
181: ok 816
181: ok 817
181: ok 818
181: ok 819
181: ok 820
181: ok 821
181: ok 822
181: ok 823
181: ok 824
181: ok 825
181: ok 826
181: ok 827
181: ok 828
181: ok 829
181: ok 830
181: ok 831
181: ok 832
181: ok 833
181: ok 834
181: ok 835
181: ok 836
181: ok 837
181: ok 838
181: ok 839
181: ok 840
181: ok 841
181: ok 842
181: ok 843
181: ok 844
181: ok 845
181: ok 846
181: ok 847
181: ok 848
181: ok 849
181: ok 850
181: ok 851
181: ok 852
181: ok 853
181: ok 854
181: ok 855
181: ok 856
181: ok 857
181: ok 858
181: ok 859
181: ok 860
181: ok 861
181: ok 862
181: ok 863
181: ok 864
181: ok 865
181: ok 866
181: ok 867
181: ok 868
181: ok 869
181: ok 870
181: ok 871
181: ok 872
181: ok 873
181: ok 874
181: ok 875
181: ok 876
181: ok 877
181: ok 878
181: ok 879
181: ok 880
181: ok 881
181: ok 882
181: ok 883
181: ok 884
181: ok 885
181: ok 886
181: ok 887
181: ok 888
181: ok 889
181: ok 890
181: ok 891
181: ok 892
181: ok 893
181: ok 894
181: ok 895
181: ok 896
181: ok 897
181: ok 898
181: ok 899
181: ok 900
181: ok 901
181: ok 902
181: ok 903
181: ok 904
181: ok 905
181: ok 906
181: ok 907
181: ok 908
181: ok 909
181: ok 910
181: ok 911
181: ok 912
181: ok 913
181: ok 914
181: ok 915
181: ok 916
181: ok 917
181: ok 918
181: ok 919
181: ok 920
181: ok 921
181: ok 922
181: ok 923
181: ok 924
181: ok 925
181: ok 926
181: ok 927
181: ok 928
181: ok 929
181: ok 930
181: ok 931
181: ok 932
181: ok 933
181: ok 934
181: ok 935
181: ok 936
181: ok 937
181: ok 938
181: ok 939
181: ok 940
181: ok 941
181: ok 942
181: ok 943
181: ok 944
181: ok 945
181: ok 946
181: ok 947
181: ok 948
181: ok 949
181: ok 950
181: ok 951
181: ok 952
181: ok 953
181: ok 954
181: ok 955
181: ok 956
181: ok 957
181: ok 958
181: ok 959
181: ok 960
181: ok 961
181: ok 962
181: ok 963
181: ok 964
181: ok 965
181: ok 966
181: ok 967
181: ok 968
181: ok 969
181: ok 970
181: ok 971
181: ok 972
181: ok 973
181: ok 974
181: ok 975
181: ok 976
181: ok 977
181: ok 978
181: ok 979
181: ok 980
181: ok 981
181: ok 982
181: ok 983
181: ok 984
181: ok 985
181: ok 986
181: ok 987
181: ok 988
181: ok 989
181: ok 990
181: ok 991
181: ok 992
181: ok 993
181: ok 994
181: ok 995
181: ok 996
181: ok 997
181: ok 998
181: ok 999
181: ok 1000
181: # math: passed testInversion
181: 1..1000
181: # math: all tests are successful
176/208 Test #181: test_math_3 ......................   Passed    0.01 sec
test 184
        Start 184: test_pdbreadfile_1
184: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "pdbreadfile" "1"
184: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
184: Environment variables: 
184:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
184:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
184: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g1v_5fu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g3e_g3e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g3n_tc8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g42_792.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g49_3g4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g4f_fpf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g4i_d71.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g4q_mch.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g4u_0cl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g4v_7cl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g4w_8cl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g4y_9cl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g52_cee.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g53_lt1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g58_988.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g5e_q74.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g5h_ytt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g5m_xm5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3g6g_g6g.sdf
168:     bond    ( -1.070,   0.929,   0.454)  ( -1.069,   0.931,   0.454)  ( 0.16,  0.12,  0.01)
168:     angle   (  4.468,   5.608,  -0.977)  (  4.468,   5.608,  -0.977)  ( 0.01,  0.01,  0.05)
168:     strbnd  (  0.788,  -0.295,  -1.704)  (  0.788,  -0.295,  -1.704)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.551,  -1.028,   0.811)  ( -0.551,  -1.028,   0.811)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.628,  -5.157,   1.404)  ( -3.628,  -5.157,   1.404)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 13       ( -0.120,   0.039,  -0.037)  ( -0.119,   0.040,  -0.033)  ( 0.01,  0.00,  0.01)
168:     bond    ( -0.328,  -0.292,  -3.901)  ( -0.328,  -0.292,  -3.897)  ( 0.00,  0.00,  0.08)
168:     angle   ( -0.446,   1.585,  -0.081)  ( -0.446,   1.585,  -0.081)  ( 0.02,  0.04,  0.00)
168:     strbnd  ( -0.722,   1.212,   0.784)  ( -0.722,   1.212,   0.784)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.435,   1.492,  -0.075)  ( -0.435,   1.492,  -0.075)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.812,  -3.957,   3.236)  (  1.812,  -3.957,   3.236)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 14       (  0.067,   0.147,  -0.288)  (  0.068,   0.148,  -0.285)  ( 0.00,  0.01,  0.08)
168:     bond    ( -0.175,   1.062,   2.357)  ( -0.175,   1.063,   2.360)  ( 0.00,  0.05,  0.12)
168:     angle   ( -0.080,  -0.961,   0.427)  ( -0.080,  -0.961,   0.427)  ( 0.00,  0.04,  0.00)
168:     strbnd  (  0.554,   0.475,  -1.094)  (  0.554,   0.475,  -1.094)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.550,   1.444,  -0.691)  ( -0.550,   1.444,  -0.691)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.318,  -1.873,  -1.287)  (  0.318,  -1.873,  -1.287)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 15       (  0.046,  -0.135,  -0.333)  (  0.047,  -0.133,  -0.331)  ( 0.00,  0.03,  0.06)
168:     bond    (  0.373,   1.480,  -1.330)  (  0.373,   1.482,  -1.328)  ( 0.00,  0.12,  0.11)
168:     angle   ( -2.004,   0.579,   0.084)  ( -2.004,   0.580,   0.085)  ( 0.03,  0.01,  0.00)
168:     strbnd  (  0.258,   0.339,   0.948)  (  0.258,   0.339,   0.948)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.462,  -0.620,  -0.562)  (  0.462,  -0.620,  -0.562)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.958,  -1.914,   0.528)  (  0.958,  -1.914,   0.528)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 16       (  0.085,   0.267,   0.463)  (  0.090,   0.268,   0.460)  ( 0.04,  0.03,  0.13)
168:     bond    (  0.758,  -0.200,   0.086)  (  0.762,  -0.200,   0.086)  ( 0.28,  0.01,  0.00)
168:     angle   (  0.078,   0.315,   0.044)  (  0.078,   0.315,   0.044)  ( 0.00,  0.02,  0.00)
168:     strbnd  ( -0.224,   0.410,  -0.006)  ( -0.224,   0.410,  -0.006)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.053,  -0.023,   0.416)  ( -0.053,  -0.023,   0.416)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.002,  -0.001,   0.014)  ( -0.001,  -0.001,   0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.370,  -0.087,  -0.051)  ( -0.370,  -0.087,  -0.051)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.102,  -0.148,  -0.039)  ( -0.102,  -0.148,  -0.039)  ( 0.00,  0.00,  0.00)
168: 17       (  0.030,  -0.337,   0.354)  (  0.031,  -0.333,   0.349)  ( 0.00,  0.14,  0.18)
168:     bond    (  0.202,  -2.402,  -0.106)  (  0.202,  -2.398,  -0.106)  ( 0.00,  0.16,  0.00)
168:     angle   (  0.155,   0.010,   0.062)  (  0.156,   0.010,   0.062)  ( 0.01,  0.00,  0.00)
168:     strbnd  (  0.312,   1.242,   0.101)  (  0.312,   1.242,   0.101)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.037,  -0.018,   0.329)  ( -0.037,  -0.018,   0.329)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.003,  -0.001,   0.025)  ( -0.002,  -0.001,   0.019)  ( 0.00,  0.00,  0.01)
168:     vdw     ( -0.532,   0.720,  -0.009)  ( -0.532,   0.720,  -0.009)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.067,   0.112,  -0.048)  ( -0.067,   0.112,  -0.048)  ( 0.00,  0.00,  0.00)
168: 18       (  0.234,   1.955,  -3.552)  (  0.255,   1.935,  -3.562)  ( 0.49,  1.01,  0.28)
168:     bond    ( -6.379,   0.928, -24.889)  ( -6.375,   0.931, -24.885)  ( 0.06,  0.30,  0.02)
168:     angle   (  9.056,   0.616,  23.534)  (  9.058,   0.619,  23.536)  ( 0.02,  0.14,  0.01)
168:     strbnd  ( -5.196,  -2.586,  -0.461)  ( -5.197,  -2.587,  -0.462)  ( 0.03,  0.04,  0.02)
168:     torsion (  1.569,  -1.208,   0.648)  (  1.569,  -1.208,   0.648)  ( 0.00,  0.01,  0.00)
168:     oop     ( -0.120,   0.144,   0.106)  ( -0.104,   0.120,   0.090)  ( 0.19,  0.35,  0.17)
168:     vdw     (  1.409,   4.724,  -3.655)  (  1.409,   4.724,  -3.655)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.105,  -0.663,   1.165)  ( -0.105,  -0.663,   1.165)  ( 0.00,  0.00,  0.00)
168: 19       (  0.354,   2.120,   0.056)  (  0.365,   2.131,   0.061)  ( 0.39,  0.51,  0.03)
168:     bond    ( -2.284,   1.490,  -1.564)  ( -2.281,   1.492,  -1.560)  ( 0.13,  0.13,  0.31)
168:     angle   ( -1.097,  -5.742,  -2.880)  ( -1.096,  -5.741,  -2.878)  ( 0.12,  0.02,  0.06)
168:     strbnd  (  3.814,  -3.033,   2.137)  (  3.814,  -3.033,   2.137)  ( 0.01,  0.00,  0.01)
168:     torsion (  0.420,   0.671,  -0.162)  (  0.420,   0.672,  -0.162)  ( 0.02,  0.04,  0.00)
168:     oop     ( -0.056,  -0.065,   0.006)  ( -0.050,  -0.058,   0.005)  ( 0.04,  0.05,  0.00)
168:     vdw     ( -0.306,   9.504,   2.421)  ( -0.306,   9.504,   2.421)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.137,  -0.705,   0.098)  ( -0.137,  -0.705,   0.098)  ( 0.00,  0.00,  0.00)
168: 20       ( -4.758,  -2.921,   1.091)  ( -4.871,  -2.872,   1.165)  ( 2.36,  1.67,  6.80)
168:     bond    ( -2.231, -20.883,   8.347)  ( -2.227, -20.877,   8.352)  ( 0.15,  0.03,  0.06)
168:     angle   ( -4.426,  15.205,  -3.475)  ( -4.426,  15.207,  -3.473)  ( 0.02,  0.01,  0.05)
168:     strbnd  ( -4.771,  -2.312,  -7.995)  ( -4.772,  -2.313,  -7.996)  ( 0.01,  0.04,  0.02)
168:     torsion ( -2.925,   0.824,   1.217)  ( -2.924,   0.824,   1.217)  ( 0.01,  0.00,  0.00)
168:     oop     (  0.652,  -0.226,  -0.380)  (  0.536,  -0.185,  -0.311)  ( 7.57,  0.92,  2.60)
168:     vdw     (  7.151,   3.310,   3.612)  (  7.151,   3.310,   3.612)  ( 0.00,  0.00,  0.00)
168:     electro (  1.791,   1.160,  -0.235)  (  1.791,   1.160,  -0.235)  ( 0.00,  0.00,  0.00)
168: 21       ( -0.124,  -0.034,   0.051)  ( -0.123,  -0.033,   0.055)  ( 0.01,  0.00,  0.02)
168:     bond    ( -0.235,  -0.308,  -2.219)  ( -0.235,  -0.308,  -2.216)  ( 0.00,  0.00,  0.15)
168:     angle   (  4.698,  -5.851,   0.315)  (  4.699,  -5.850,   0.315)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -0.581,  -0.336,   1.443)  ( -0.581,  -0.336,   1.443)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.301,   0.144,   0.118)  ( -1.301,   0.144,   0.118)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.704,   6.318,   0.395)  ( -2.704,   6.318,   0.395)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 22       ( -1.234,   0.590,   0.291)  ( -1.240,   0.580,   0.298)  ( 0.44,  0.58,  0.20)
168:     bond    (  7.110,  -5.000,  16.974)  (  7.113,  -4.998,  16.979)  ( 0.05,  0.04,  0.03)
168:     angle   ( -2.542,   1.862,  -6.168)  ( -2.541,   1.862,  -6.166)  ( 0.04,  0.04,  0.03)
168:     strbnd  ( -2.998,   2.586,   2.923)  ( -2.998,   2.586,   2.923)  ( 0.00,  0.00,  0.01)
168:     torsion (  0.187,   0.206,   0.004)  (  0.187,   0.207,   0.004)  ( 0.01,  0.02,  0.00)
168:     oop     (  0.071,   0.090,  -0.001)  (  0.060,   0.076,  -0.000)  ( 0.07,  0.12,  0.00)
168:     vdw     ( -3.409,   1.113, -13.213)  ( -3.409,   1.113, -13.213)  ( 0.00,  0.01,  0.00)
168:     electro (  0.348,  -0.267,  -0.229)  (  0.348,  -0.267,  -0.229)  ( 0.00,  0.00,  0.00)
168: 23       ( -0.424,  -0.244,  -0.447)  ( -0.417,  -0.238,  -0.440)  ( 0.27,  0.14,  0.33)
168:     bond    ( -4.764,   3.427,  11.494)  ( -4.760,   3.429,  11.499)  ( 0.07,  0.06,  0.05)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  2.739,  -8.691,   2.060)  (  2.739,  -8.691,   2.060)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 41       ( -3.055, -21.255, -46.663)  ( -3.049, -21.250, -46.653)  ( 0.18,  0.02,  0.02)
170:     bond    ( 18.481, -11.472, -29.819)  ( 18.484, -11.471, -29.810)  ( 0.02,  0.01,  0.03)
170:     angle   (  2.922,  21.454,  -6.444)  (  2.924,  21.456,  -6.443)  ( 0.07,  0.01,  0.01)
170:     torsion (-22.485, -13.659,  -8.686)  (-22.484, -13.659,  -8.686)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.973, -17.577,  -1.714)  ( -1.973, -17.577,  -1.714)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 42       (-17.819,  36.412,  43.503)  (-17.816,  36.415,  43.517)  ( 0.02,  0.01,  0.03)
170:     bond    ( -7.195,  -1.910,  37.298)  ( -7.195,  -1.910,  37.312)  ( 0.00,  0.01,  0.04)
170:     angle   (-15.370,  18.468,  -2.018)  (-15.367,  18.471,  -2.018)  ( 0.02,  0.01,  0.00)
170:     torsion ( -1.188,  41.884,   1.915)  ( -1.188,  41.884,   1.915)  ( 0.03,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  5.934, -22.031,   6.308)  (  5.934, -22.030,   6.308)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 43       (  4.327, -52.811,   8.132)  (  4.332, -52.800,   8.135)  ( 0.11,  0.02,  0.03)
170:     bond    ( 15.124, -34.548, -10.635)  ( 15.126, -34.538, -10.634)  ( 0.01,  0.03,  0.01)
170:     angle   (  2.229,   8.850, -25.573)  (  2.232,   8.850, -25.570)  ( 0.11,  0.01,  0.01)
170:     torsion (-14.616, -17.750,  36.861)  (-14.616, -17.750,  36.861)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  1.589,  -9.362,   7.479)  (  1.590,  -9.362,   7.479)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 44       (-18.443,  12.453,  56.330)  (-18.440,  12.458,  56.341)  ( 0.02,  0.04,  0.02)
170:     bond    ( 14.507,  17.400,  38.285)  ( 14.508,  17.402,  38.296)  ( 0.01,  0.01,  0.03)
170:     angle   (-18.110,  22.092,  -3.181)  (-18.108,  22.095,  -3.180)  ( 0.01,  0.01,  0.02)
170:     torsion (-21.422, -19.062,  16.778)  (-21.422, -19.062,  16.778)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  6.582,  -7.977,   4.447)  (  6.582,  -7.977,   4.447)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 45       ( 50.114,  12.768, -16.909)  ( 50.124,  12.772, -16.904)  ( 0.02,  0.03,  0.03)
170:     bond    ( 28.379, -12.263, -17.863)  ( 28.388, -12.261, -17.859)  ( 0.03,  0.01,  0.02)
170:     angle   ( -7.540,  -4.218,  -9.092)  ( -7.539,  -4.216,  -9.090)  ( 0.01,  0.06,  0.02)
170:     torsion ( 15.446,  29.140,   4.546)  ( 15.446,  29.140,   4.545)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 13.829,   0.108,   5.500)  ( 13.830,   0.108,   5.500)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 46       ( 17.258, -74.872, -16.201)  ( 17.261, -74.865, -16.188)  ( 0.02,  0.01,  0.08)
170:     bond    (  2.525,  -6.603, -19.217)  (  2.525,  -6.602, -19.205)  ( 0.00,  0.02,  0.06)
170:     angle   ( -4.537,  11.154,  -4.432)  ( -4.534,  11.157,  -4.431)  ( 0.07,  0.03,  0.01)
170:     torsion (  6.819, -47.163,  17.109)  (  6.819, -47.162,  17.108)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 12.449, -32.261,  -9.660)  ( 12.450, -32.259,  -9.660)  ( 0.01,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 47       ( -2.346,  17.106,  26.971)  ( -2.338,  17.112,  26.979)  ( 0.34,  0.04,  0.03)
170:     bond    (-24.673,  23.429,  25.665)  (-24.669,  23.434,  25.670)  ( 0.02,  0.02,  0.02)
170:     angle   (-11.688, -14.038,   1.582)  (-11.686, -14.036,   1.584)  ( 0.02,  0.02,  0.12)
170:     torsion (  5.673, -11.971,  16.379)  (  5.673, -11.971,  16.379)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 28.343,  19.686, -16.655)  ( 28.344,  19.686, -16.654)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 48       (  3.916, -11.977, -70.615)  (  3.923, -11.969, -70.610)  ( 0.19,  0.06,  0.01)
170:     bond    ( 23.281, -24.777, -18.786)  ( 23.286, -24.772, -18.783)  ( 0.02,  0.02,  0.02)
170:     angle   ( -3.238,   3.945,  -9.218)  ( -3.236,   3.946,  -9.216)  ( 0.06,  0.04,  0.02)
170:     torsion (-16.522,  17.754, -43.899)  (-16.523,  17.754, -43.899)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.395,  -8.898,   1.288)  (  0.396,  -8.898,   1.288)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 49       ( 32.071, -33.304,  25.059)  ( 32.075, -33.300,  25.072)  ( 0.01,  0.01,  0.05)
170:     bond    (  1.999,  -6.832,  29.850)  (  1.998,  -6.831,  29.863)  ( 0.00,  0.01,  0.04)
170:     angle   ( -7.301,  -5.703,  -0.816)  ( -7.298,  -5.700,  -0.815)  ( 0.04,  0.05,  0.01)
170:     torsion ( 29.488, -23.263,  -7.295)  ( 29.488, -23.262,  -7.295)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  7.885,   2.492,   3.320)  (  7.886,   2.493,   3.320)  ( 0.00,  0.02,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 50       (-42.456,  36.563,   2.121)  (-42.451,  36.570,   2.129)  ( 0.01,  0.02,  0.40)
170:     bond    (-12.892,  19.154,  24.179)  (-12.890,  19.158,  24.186)  ( 0.01,  0.02,  0.03)
170:     angle   (  2.102,  -1.369,   2.203)  (  2.104,  -1.367,   2.204)  ( 0.12,  0.14,  0.05)
170:     torsion (-23.627,  17.730, -26.636)  (-23.626,  17.730, -26.636)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.039,   1.048,   2.375)  ( -8.039,   1.049,   2.375)  ( 0.00,  0.04,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 51       ( 52.952,  -9.860, -46.709)  ( 52.958,  -9.855, -46.698)  ( 0.01,  0.05,  0.02)
170:     bond    (-15.220,  19.983, -45.230)  (-15.219,  19.985, -45.219)  ( 0.01,  0.01,  0.02)
170:     angle   (-20.705, -20.061,  -1.898)  (-20.702, -20.058,  -1.898)  ( 0.01,  0.01,  0.03)
170:     torsion ( 29.317, -32.429, -24.199)  ( 29.317, -32.428, -24.198)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 59.560,  22.646,  24.617)  ( 59.562,  22.646,  24.618)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 52       (-30.119,   0.338,  61.014)  (-30.115,   0.342,  61.026)  ( 0.01,  0.13,  0.02)
170:     bond    ( 12.586,  -9.382,  34.918)  ( 12.587,  -9.382,  34.929)  ( 0.01,  0.01,  0.03)
170:     angle   ( -6.602,  16.545,   6.822)  ( -6.600,  16.547,   6.823)  ( 0.04,  0.01,  0.01)
170:     torsion (-29.059,   7.019,  12.357)  (-29.059,   7.019,  12.357)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -7.043, -13.843,   6.917)  ( -7.043, -13.842,   6.917)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 53       ( 33.764, -28.975,  -6.678)  ( 33.769, -28.966,  -6.671)  ( 0.02,  0.03,  0.11)
170:     bond    ( 10.870, -19.294, -17.724)  ( 10.872, -19.288, -17.719)  ( 0.02,  0.03,  0.03)
182: # math: repeating each test 1000 times
182: # Testing MMFF94 Force Field...
182: # math: entering testEigenvalues
182: ok 1
182: ok 2
182: ok 3
182: ok 4
182: ok 5
182: ok 6
182: ok 7
182: ok 8
182: ok 9
182: ok 10
182: ok 11
182: ok 12
182: ok 13
182: ok 14
182: ok 15
182: ok 16
182: ok 17
182: ok 18
182: ok 19
182: ok 20
182: ok 21
182: ok 22
182: ok 23
182: ok 24
182: ok 25
182: ok 26
182: ok 27
182: ok 28
182: ok 29
182: ok 30
182: ok 31
182: ok 32
182: ok 33
182: ok 34
182: ok 35
182: ok 36
182: ok 37
182: ok 38
182: ok 39
182: ok 40
182: ok 41
182: ok 42
182: ok 43
182: ok 44
182: ok 45
182: ok 46
182: ok 47
182: ok 48
182: ok 49
182: ok 50
182: ok 51
182: ok 52
182: ok 53
182: ok 54
182: ok 55
182: ok 56
182: ok 57
182: ok 58
182: ok 59
182: ok 60
182: ok 61
182: ok 62
182: ok 63
182: ok 64
182: ok 65
182: ok 66
182: ok 67
182: ok 68
182: ok 69
182: ok 70
182: ok 71
182: ok 72
182: ok 73
182: ok 74
182: ok 75
182: ok 76
182: ok 77
182: ok 78
182: ok 79
182: ok 80
182: ok 81
182: ok 82
182: ok 83
182: ok 84
182: ok 85
182: ok 86
182: ok 87
182: ok 88
182: ok 89
182: ok 90
182: ok 91
182: ok 92
182: ok 93
182: ok 94
182: ok 95
182: ok 96
182: ok 97
182: ok 98
182: ok 99
182: ok 100
182: ok 101
182: ok 102
182: ok 103
182: ok 104
182: ok 105
182: ok 106
182: ok 107
182: ok 108
182: ok 109
182: ok 110
182: ok 111
182: ok 112
182: ok 113
182: ok 114
182: ok 115
182: ok 116
182: ok 117
182: ok 118
182: ok 119
182: ok 120
182: ok 121
182: ok 122
182: ok 123
182: ok 124
182: ok 125
182: ok 126
182: ok 127
182: ok 128
182: ok 129
182: ok 130
182: ok 131
182: ok 132
182: ok 133
182: ok 134
182: ok 135
182: ok 136
182: ok 137
182: ok 138
182: ok 139
182: ok 140
182: ok 141
182: ok 142
182: ok 143
182: ok 144
182: ok 145
182: ok 146
182: ok 147
182: ok 148
182: ok 149
182: ok 150
182: ok 151
182: ok 152
182: ok 153
182: ok 154
182: ok 155
182: ok 156
182: ok 157
182: ok 158
182: ok 159
182: ok 160
182: ok 161
182: ok 162
182: ok 163
182: ok 164
182: ok 165
182: ok 166
182: ok 167
182: ok 168
182: ok 169
182: ok 170
182: ok 171
182: ok 172
182: ok 173
182: ok 174
182: ok 175
182: ok 176
182: ok 177
182: ok 178
182: ok 179
182: ok 180
182: ok 181
182: ok 182
182: ok 183
182: ok 184
182: ok 185
182: ok 186
182: ok 187
182: ok 188
182: ok 189
182: ok 190
182: ok 191
182: ok 192
182: ok 193
182: ok 194
182: ok 195
182: ok 196
182: ok 197
182: ok 198
182: ok 199
182: ok 200
182: ok 201
182: ok 202
182: ok 203
182: ok 204
182: ok 205
182: ok 206
182: ok 207
182: ok 208
182: ok 209
182: ok 210
182: ok 211
182: ok 212
182: ok 213
182: ok 214
182: ok 215
182: ok 216
182: ok 217
182: ok 218
182: ok 219
182: ok 220
182: ok 221
182: ok 222
182: ok 223
182: ok 224
182: ok 225
182: ok 226
182: ok 227
182: ok 228
182: ok 229
182: ok 230
182: ok 231
182: ok 232
182: ok 233
182: ok 234
182: ok 235
182: ok 236
182: ok 237
182: ok 238
182: ok 239
182: ok 240
182: ok 241
182: ok 242
182: ok 243
182: ok 244
182: ok 245
182: ok 246
182: ok 247
182: ok 248
182: ok 249
182: ok 250
182: ok 251
182: ok 252
182: ok 253
182: ok 254
182: ok 255
182: ok 256
182: ok 257
182: ok 258
182: ok 259
182: ok 260
182: ok 261
182: ok 262
182: ok 263
182: ok 264
182: ok 265
182: ok 266
182: ok 267
182: ok 268
182: ok 269
182: ok 270
182: ok 271
182: ok 272
182: ok 273
182: ok 274
182: ok 275
182: ok 276
182: ok 277
182: ok 278
182: ok 279
182: ok 280
182: ok 281
182: ok 282
182: ok 283
182: ok 284
182: ok 285
182: ok 286
182: ok 287
182: ok 288
182: ok 289
182: ok 290
182: ok 291
182: ok 292
182: ok 293
182: ok 294
182: ok 295
182: ok 296
182: ok 297
182: ok 298
182: ok 299
182: ok 300
182: ok 301
182: ok 302
182: ok 303
182: ok 304
182: ok 305
182: ok 306
182: ok 307
182: ok 308
182: ok 309
182: ok 310
182: ok 311
182: ok 312
182: ok 313
182: ok 314
182: ok 315
182: ok 316
182: ok 317
182: ok 318
182: ok 319
182: ok 320
182: ok 321
182: ok 322
182: ok 323
182: ok 324
182: ok 325
182: ok 326
182: ok 327
182: ok 328
182: ok 329
182: ok 330
182: ok 331
182: ok 332
182: ok 333
182: ok 334
182: ok 335
182: ok 336
182: ok 337
182: ok 338
182: ok 339
182: ok 340
182: ok 341
182: ok 342
182: ok 343
182: ok 344
182: ok 345
182: ok 346
182: ok 347
182: ok 348
182: ok 349
182: ok 350
182: ok 351
182: ok 352
182: ok 353
182: ok 354
182: ok 355
182: ok 356
182: ok 357
182: ok 358
182: ok 359
182: ok 360
182: ok 361
182: ok 362
182: ok 363
182: ok 364
182: ok 365
182: ok 366
182: ok 367
182: ok 368
182: ok 369
182: ok 370
182: ok 371
182: ok 372
182: ok 373
182: ok 374
182: ok 375
182: ok 376
182: ok 377
182: ok 378
182: ok 379
182: ok 380
182: ok 381
182: ok 382
182: ok 383
182: ok 384
182: ok 385
182: ok 386
182: ok 387
182: ok 388
182: ok 389
182: ok 390
182: ok 391
182: ok 392
182: ok 393
182: ok 394
182: ok 395
182: ok 396
182: ok 397
182: ok 398
182: ok 399
182: ok 400
182: ok 401
182: ok 402
182: ok 403
182: ok 404
182: ok 405
182: ok 406
182: ok 407
182: ok 408
182: ok 409
182: ok 410
182: ok 411
182: ok 412
182: ok 413
182: ok 414
182: ok 415
182: ok 416
182: ok 417
182: ok 418
182: ok 419
182: ok 420
182: ok 421
182: ok 422
182: ok 423
182: ok 424
182: ok 425
182: ok 426
182: ok 427
182: ok 428
182: ok 429
182: ok 430
182: ok 431
182: ok 432
182: ok 433
182: ok 434
182: ok 435
182: ok 436
182: ok 437
182: ok 438
182: ok 439
182: ok 440
182: ok 441
182: ok 442
182: ok 443
182: ok 444
182: ok 445
182: ok 446
182: ok 447
182: ok 448
182: ok 449
182: ok 450
182: ok 451
182: ok 452
182: ok 453
182: ok 454
182: ok 455
182: ok 456
182: ok 457
182: ok 458
182: ok 459
182: ok 460
182: ok 461
182: ok 462
182: ok 463
182: ok 464
182: ok 465
182: ok 466
182: ok 467
182: ok 468
182: ok 469
182: ok 470
182: ok 471
182: ok 472
182: ok 473
182: ok 474
182: ok 475
182: ok 476
182: ok 477
182: ok 478
182: ok 479
182: ok 480
182: ok 481
182: ok 482
182: ok 483
182: ok 484
182: ok 485
182: ok 486
182: ok 487
182: ok 488
182: ok 489
182: ok 490
182: ok 491
182: ok 492
182: ok 493
182: ok 494
182: ok 495
182: ok 496
182: ok 497
182: ok 498
182: ok 499
182: ok 500
182: ok 501
182: ok 502
182: ok 503
182: ok 504
182: ok 505
182: ok 506
182: ok 507
182: ok 508
182: ok 509
182: ok 510
182: ok 511
182: ok 512
182: ok 513
182: ok 514
182: ok 515
182: ok 516
182: ok 517
182: ok 518
182: ok 519
182: ok 520
182: ok 521
182: ok 522
182: ok 523
182: ok 524
182: ok 525
182: ok 526
182: ok 527
182: ok 528
182: ok 529
182: ok 530
182: ok 531
182: ok 532
182: ok 533
182: ok 534
182: ok 535
182: ok 536
182: ok 537
182: ok 538
182: ok 539
182: ok 540
182: ok 541
182: ok 542
182: ok 543
182: ok 544
182: ok 545
182: ok 546
182: ok 547
182: ok 548
182: ok 549
182: ok 550
182: ok 551
182: ok 552
182: ok 553
182: ok 554
182: ok 555
182: ok 556
182: ok 557
182: ok 558
182: ok 559
182: ok 560
182: ok 561
182: ok 562
182: ok 563
182: ok 564
182: ok 565
182: ok 566
182: ok 567
182: ok 568
182: ok 569
182: ok 570
182: ok 571
182: ok 572
182: ok 573
182: ok 574
182: ok 575
182: ok 576
182: ok 577
182: ok 578
182: ok 579
182: ok 580
182: ok 581
182: ok 582
182: ok 583
182: ok 584
182: ok 585
182: ok 586
182: ok 587
182: ok 588
182: ok 589
182: ok 590
182: ok 591
182: ok 592
182: ok 593
182: ok 594
182: ok 595
182: ok 596
182: ok 597
182: ok 598
182: ok 599
182: ok 600
182: ok 601
182: ok 602
182: ok 603
182: ok 604
182: ok 605
182: ok 606
182: ok 607
182: ok 608
182: ok 609
182: ok 610
182: ok 611
182: ok 612
182: ok 613
182: ok 614
182: ok 615
182: ok 616
182: ok 617
182: ok 618
182: ok 619
182: ok 620
182: ok 621
182: ok 622
182: ok 623
182: ok 624
182: ok 625
182: ok 626
182: ok 627
182: ok 628
182: ok 629
182: ok 630
182: ok 631
182: ok 632
182: ok 633
182: ok 634
182: ok 635
182: ok 636
182: ok 637
182: ok 638
182: ok 639
182: ok 640
182: ok 641
182: ok 642
182: ok 643
182: ok 644
182: ok 645
182: ok 646
182: ok 647
182: ok 648
182: ok 649
182: ok 650
182: ok 651
182: ok 652
182: ok 653
182: ok 654
182: ok 655
182: ok 656
182: ok 657
182: ok 658
182: ok 659
182: ok 660
182: ok 661
182: ok 662
182: ok 663
182: ok 664
182: ok 665
182: ok 666
182: ok 667
182: ok 668
182: ok 669
182: ok 670
182: ok 671
182: ok 672
182: ok 673
182: ok 674
182: ok 675
182: ok 676
182: ok 677
182: ok 678
182: ok 679
182: ok 680
182: ok 681
182: ok 682
182: ok 683
182: ok 684
182: ok 685
182: ok 686
182: ok 687
182: ok 688
182: ok 689
182: ok 690
182: ok 691
182: ok 692
182: ok 693
182: ok 694
182: ok 695
182: ok 696
182: ok 697
182: ok 698
182: ok 699
182: ok 700
182: ok 701
182: ok 702
182: ok 703
182: ok 704
182: ok 705
182: ok 706
182: ok 707
182: ok 708
182: ok 709
182: ok 710
182: ok 711
182: ok 712
182: ok 713
182: ok 714
182: ok 715
182: ok 716
182: ok 717
182: ok 718
182: ok 719
182: ok 720
182: ok 721
182: ok 722
182: ok 723
182: ok 724
182: ok 725
182: ok 726
182: ok 727
182: ok 728
182: ok 729
182: ok 730
182: ok 731
182: ok 732
182: ok 733
182: ok 734
182: ok 735
182: ok 736
182: ok 737
182: ok 738
182: ok 739
182: ok 740
182: ok 741
182: ok 742
182: ok 743
182: ok 744
182: ok 745
182: ok 746
182: ok 747
182: ok 748
182: ok 749
182: ok 750
182: ok 751
182: ok 752
182: ok 753
182: ok 754
182: ok 755
182: ok 756
182: ok 757
182: ok 758
182: ok 759
182: ok 760
182: ok 761
182: ok 762
182: ok 763
182: ok 764
182: ok 765
182: ok 766
182: ok 767
182: ok 768
182: ok 769
182: ok 770
182: ok 771
182: ok 772
182: ok 773
182: ok 774
182: ok 775
182: ok 776
182: ok 777
182: ok 778
182: ok 779
182: ok 780
182: ok 781
182: ok 782
182: ok 783
182: ok 784
182: ok 785
182: ok 786
182: ok 787
182: ok 788
182: ok 789
182: ok 790
182: ok 791
182: ok 792
182: ok 793
182: ok 794
182: ok 795
182: ok 796
182: ok 797
182: ok 798
182: ok 799
182: ok 800
182: ok 801
182: ok 802
182: ok 803
182: ok 804
182: ok 805
182: ok 806
182: ok 807
182: ok 808
182: ok 809
182: ok 810
182: ok 811
182: ok 812
182: ok 813
182: ok 814
182: ok 815
182: ok 816
182: ok 817
182: ok 818
182: ok 819
182: ok 820
182: ok 821
182: ok 822
182: ok 823
182: ok 824
182: ok 825
182: ok 826
182: ok 827
182: ok 828
182: ok 829
182: ok 830
182: ok 831
182: ok 832
182: ok 833
182: ok 834
182: ok 835
182: ok 836
182: ok 837
182: ok 838
182: ok 839
182: ok 840
182: ok 841
182: ok 842
182: ok 843
182: ok 844
182: ok 845
182: ok 846
182: ok 847
182: ok 848
182: ok 849
182: ok 850
182: ok 851
182: ok 852
182: ok 853
182: ok 854
182: ok 855
182: ok 856
182: ok 857
182: ok 858
182: ok 859
182: ok 860
182: ok 861
182: ok 862
182: ok 863
182: ok 864
182: ok 865
182: ok 866
182: ok 867
182: ok 868
182: ok 869
182: ok 870
182: ok 871
182: ok 872
182: ok 873
182: ok 874
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182: ok 876
182: ok 877
182: ok 878
182: ok 879
182: ok 880
182: ok 881
182: ok 882
182: ok 883
182: ok 884
182: ok 885
182: ok 886
182: ok 887
182: ok 888
182: ok 889
182: ok 890
182: ok 891
182: ok 892
182: ok 893
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182: ok 895
182: ok 896
182: ok 897
182: ok 898
182: ok 899
182: ok 900
182: ok 901
182: ok 902
182: ok 903
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182: ok 907
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182: ok 909
182: ok 910
182: ok 911
182: ok 912
182: ok 913
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182: ok 919
182: ok 920
182: ok 921
182: ok 922
182: ok 923
182: ok 924
182: ok 925
182: ok 926
182: ok 927
182: ok 928
182: ok 929
182: ok 930
182: ok 931
182: ok 932
182: ok 933
182: ok 934
182: ok 935
182: ok 936
182: ok 937
182: ok 938
182: ok 939
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182: ok 941
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182: ok 946
182: ok 947
182: ok 948
182: ok 949
182: ok 950
182: ok 951
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182: ok 953
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182: ok 955
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182: ok 958
182: ok 959
182: ok 960
182: ok 961
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182: ok 963
182: ok 964
182: ok 965
182: ok 966
182: ok 967
182: ok 968
182: ok 969
182: ok 970
182: ok 971
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182: ok 973
182: ok 974
182: ok 975
182: ok 976
182: ok 977
182: ok 978
182: ok 979
182: ok 980
182: ok 981
182: ok 982
182: ok 983
182: ok 984
182: ok 985
182: ok 986
182: ok 987
182: ok 988
182: ok 989
182: ok 990
182: ok 991
182: ok 992
182: ok 993
182: ok 994
182: ok 995
182: ok 996
182: ok 997
182: ok 998
182: ok 999
182: ok 1000
182: ok 1001
182: ok 1002
182: ok 1003
182: ok 1004
182: ok 1005
182: ok 1006
182: ok 1007
182: ok 1008
182: ok 1009
182: ok 1010
182: ok 1011
182: ok 1012
182: ok 1013
182: ok 1014
182: ok 1015
182: ok 1016
182: ok 1017
182: ok 1018
182: ok 1019
182: ok 1020
182: ok 1021
182: ok 1022
182: ok 1023
182: ok 1024
182: ok 1025
182: ok 1026
182: ok 1027
182: ok 1028
182: ok 1029
182: ok 1030
182: ok 1031
182: ok 1032
182: ok 1033
182: ok 1034
182: ok 1035
182: ok 1036
182: ok 1037
182: ok 1038
182: ok 1039
182: ok 1040
182: ok 1041
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182: ok 1045
182: ok 1046
182: ok 1047
182: ok 1048
182: ok 1049
182: ok 1050
182: ok 1051
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182: ok 1053
182: ok 1054
182: ok 1055
182: ok 1056
182: ok 1057
182: ok 1058
182: ok 1059
182: ok 1060
182: ok 1061
182: ok 1062
182: ok 1063
182: ok 1064
182: ok 1065
182: ok 1066
182: ok 1067
182: ok 1068
182: ok 1069
182: ok 1070
182: ok 1071
182: ok 1072
182: ok 1073
182: ok 1074
182: ok 1075
182: ok 1076
182: ok 1077
182: ok 1078
182: ok 1079
182: ok 1080
182: ok 1081
182: ok 1082
182: ok 1083
182: ok 1084
182: ok 1085
182: ok 1086
182: ok 1087
182: ok 1088
182: ok 1089
182: ok 1090
182: ok 1091
182: ok 1092
182: ok 1093
182: ok 1094
182: ok 1095
182: ok 1096
182: ok 1097
182: ok 1098
182: ok 1099
182: ok 1100
182: ok 1101
182: ok 1102
182: ok 1103
182: ok 1104
182: ok 1105
182: ok 1106
182: ok 1107
182: ok 1108
182: ok 1109
182: ok 1110
182: ok 1111
182: ok 1112
182: ok 1113
182: ok 1114
182: ok 1115
182: ok 1116
182: ok 1117
182: ok 1118
182: ok 1119
182: ok 1120
182: ok 1121
182: ok 1122
182: ok 1123
182: ok 1124
182: ok 1125
182: ok 1126
182: ok 1127
182: ok 1128
182: ok 1129
182: ok 1130
182: ok 1131
182: ok 1132
182: ok 1133
182: ok 1134
182: ok 1135
182: ok 1136
182: ok 1137
182: ok 1138
182: ok 1139
182: ok 1140
182: ok 1141
182: ok 1142
182: ok 1143
182: ok 1144
182: ok 1145
182: ok 1146
182: ok 1147
182: ok 1148
182: ok 1149
182: ok 1150
182: ok 1151
182: ok 1152
182: ok 1153
182: ok 1154
182: ok 1155
182: ok 1156
182: ok 1157
182: ok 1158
182: ok 1159
182: ok 1160
182: ok 1161
182: ok 1162
182: ok 1163
182: ok 1164
182: ok 1165
182: ok 1166
182: ok 1167
182: ok 1168
182: ok 1169
182: ok 1170
182: ok 1171
182: ok 1172
182: ok 1173
182: ok 1174
182: ok 1175
182: ok 1176
182: ok 1177
182: ok 1178
182: ok 1179
182: ok 1180
182: ok 1181
182: ok 1182
182: ok 1183
182: ok 1184
182: ok 1185
182: ok 1186
182: ok 1187
182: ok 1188
182: ok 1189
182: ok 1190
182: ok 1191
182: ok 1192
182: ok 1193
182: ok 1194
182: ok 1195
182: ok 1196
182: ok 1197
182: ok 1198
182: ok 1199
182: ok 1200
182: ok 1201
182: ok 1202
182: ok 1203
182: ok 1204
182: ok 1205
182: ok 1206
182: ok 1207
182: ok 1208
182: ok 1209
182: ok 1210
182: ok 1211
182: ok 1212
182: ok 1213
182: ok 1214
182: ok 1215
182: ok 1216
182: ok 1217
182: ok 1218
182: ok 1219
182: ok 1220
182: ok 1221
182: ok 1222
182: ok 1223
182: ok 1224
182: ok 1225
182: ok 1226
182: ok 1227
182: ok 1228
182: ok 1229
182: ok 1230
182: ok 1231
182: ok 1232
182: ok 1233
182: ok 1234
182: ok 1235
182: ok 1236
182: ok 1237
182: ok 1238
182: ok 1239
182: ok 1240
182: ok 1241
182: ok 1242
182: ok 1243
182: ok 1244
182: ok 1245
182: ok 1246
182: ok 1247
182: ok 1248
182: ok 1249
182: ok 1250
182: ok 1251
182: ok 1252
182: ok 1253
182: ok 1254
182: ok 1255
182: ok 1256
182: ok 1257
182: ok 1258
182: ok 1259
182: ok 1260
182: ok 1261
182: ok 1262
182: ok 1263
182: ok 1264
182: ok 1265
182: ok 1266
182: ok 1267
182: ok 1268
182: ok 1269
182: ok 1270
182: ok 1271
182: ok 1272
182: ok 1273
182: ok 1274
182: ok 1275
182: ok 1276
182: ok 1277
182: ok 1278
182: ok 1279
182: ok 1280
182: ok 1281
182: ok 1282
182: ok 1283
182: ok 1284
182: ok 1285
182: ok 1286
182: ok 1287
182: ok 1288
182: ok 1289
182: ok 1290
182: ok 1291
182: ok 1292
182: ok 1293
182: ok 1294
182: ok 1295
182: ok 1296
182: ok 1297
182: ok 1298
182: ok 1299
182: ok 1300
182: ok 1301
182: ok 1302
182: ok 1303
182: ok 1304
182: ok 1305
182: ok 1306
182: ok 1307
182: ok 1308
182: ok 1309
182: ok 1310
182: ok 1311
182: ok 1312
182: ok 1313
182: ok 1314
182: ok 1315
182: ok 1316
182: ok 1317
182: ok 1318
182: ok 1319
182: ok 1320
182: ok 1321
182: ok 1322
182: ok 1323
182: ok 1324
182: ok 1325
182: ok 1326
182: ok 1327
182: ok 1328
182: ok 1329
182: ok 1330
182: ok 1331
182: ok 1332
182: ok 1333
182: ok 1334
182: ok 1335
182: ok 1336
182: ok 1337
182: ok 1338
182: ok 1339
182: ok 1340
182: ok 1341
182: ok 1342
182: ok 1343
182: ok 1344
182: ok 1345
182: ok 1346
182: ok 1347
182: ok 1348
182: ok 1349
182: ok 1350
182: ok 1351
182: ok 1352
182: ok 1353
182: ok 1354
182: ok 1355
182: ok 1356
182: ok 1357
182: ok 1358
182: ok 1359
182: ok 1360
182: ok 1361
182: ok 1362
182: ok 1363
182: ok 1364
182: ok 1365
182: ok 1366
182: ok 1367
182: ok 1368
182: ok 1369
182: ok 1370
182: ok 1371
182: ok 1372
182: ok 1373
182: ok 1374
182: ok 1375
182: ok 1376
182: ok 1377
182: ok 1378
182: ok 1379
182: ok 1380
182: ok 1381
182: ok 1382
182: ok 1383
182: ok 1384
182: ok 1385
182: ok 1386
182: ok 1387
182: ok 1388
182: ok 1389
182: ok 1390
182: ok 1391
182: ok 1392
182: ok 1393
182: ok 1394
182: ok 1395
182: ok 1396
182: ok 1397
182: ok 1398
182: ok 1399
182: ok 1400
182: ok 1401
182: ok 1402
182: ok 1403
182: ok 1404
182: ok 1405
182: ok 1406
182: ok 1407
182: ok 1408
182: ok 1409
182: ok 1410
182: ok 1411
182: ok 1412
182: ok 1413
182: ok 1414
182: ok 1415
182: ok 1416
182: ok 1417
182: ok 1418
182: ok 1419
182: ok 1420
182: ok 1421
182: ok 1422
182: ok 1423
182: ok 1424
182: ok 1425
182: ok 1426
182: ok 1427
182: ok 1428
182: ok 1429
182: ok 1430
182: ok 1431
182: ok 1432
182: ok 1433
182: ok 1434
182: ok 1435
182: ok 1436
182: ok 1437
182: ok 1438
182: ok 1439
182: ok 1440
182: ok 1441
182: ok 1442
182: ok 1443
182: ok 1444
182: ok 1445
182: ok 1446
182: ok 1447
182: ok 1448
182: ok 1449
182: ok 1450
182: ok 1451
182: ok 1452
182: ok 1453
182: ok 1454
182: ok 1455
182: ok 1456
182: ok 1457
182: ok 1458
182: ok 1459
182: ok 1460
182: ok 1461
182: ok 1462
182: ok 1463
182: ok 1464
182: ok 1465
182: ok 1466
182: ok 1467
182: ok 1468
182: ok 1469
182: ok 1470
182: ok 1471
182: ok 1472
182: ok 1473
182: ok 1474
182: ok 1475
182: ok 1476
182: ok 1477
182: ok 1478
182: ok 1479
182: ok 1480
182: ok 1481
182: ok 1482
182: ok 1483
182: ok 1484
182: ok 1485
182: ok 1486
182: ok 1487
182: ok 1488
182: ok 1489
182: ok 1490
182: ok 1491
182: ok 1492
182: ok 1493
182: ok 1494
182: ok 1495
182: ok 1496
182: ok 1497
182: ok 1498
182: ok 1499
182: ok 1500
182: ok 1501
182: ok 1502
182: ok 1503
182: ok 1504
182: ok 1505
182: ok 1506
182: ok 1507
182: ok 1508
182: ok 1509
182: ok 1510
182: ok 1511
182: ok 1512
182: ok 1513
182: ok 1514
182: ok 1515
182: ok 1516
182: ok 1517
182: ok 1518
182: ok 1519
182: ok 1520
182: ok 1521
182: ok 1522
182: ok 1523
182: ok 1524
182: ok 1525
182: ok 1526
182: ok 1527
182: ok 1528
182: ok 1529
182: ok 1530
182: ok 1531
182: ok 1532
182: ok 1533
182: ok 1534
182: ok 1535
182: ok 1536
182: ok 1537
182: ok 1538
182: ok 1539
182: ok 1540
182: ok 1541
182: ok 1542
182: ok 1543
182: ok 1544
182: ok 1545
182: ok 1546
182: ok 1547
182: ok 1548
182: ok 1549
182: ok 1550
182: ok 1551
182: ok 1552
182: ok 1553
182: ok 1554
182: ok 1555
182: ok 1556
182: ok 1557
182: ok 1558
182: ok 1559
182: ok 1560
182: ok 1561
182: ok 1562
182: ok 1563
182: ok 1564
182: ok 1565
182: ok 1566
182: ok 1567
182: ok 1568
182: ok 1569
182: ok 1570
182: ok 1571
182: ok 1572
182: ok 1573
182: ok 1574
182: ok 1575
182: ok 1576
182: ok 1577
182: ok 1578
182: ok 1579
182: ok 1580
182: ok 1581
182: ok 1582
182: ok 1583
182: ok 1584
182: ok 1585
182: ok 1586
182: ok 1587
182: ok 1588
182: ok 1589
182: ok 1590
182: ok 1591
182: ok 1592
182: ok 1593
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182: ok 1595
182: ok 1596
182: ok 1597
182: ok 1598
182: ok 1599
182: ok 1600
182: ok 1601
182: ok 1602
182: ok 1603
182: ok 1604
182: ok 1605
182: ok 1606
182: ok 1607
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182: ok 1609
182: ok 1610
182: ok 1611
182: ok 1612
182: ok 1613
182: ok 1614
182: ok 1615
182: ok 1616
182: ok 1617
182: ok 1618
182: ok 1619
182: ok 1620
182: ok 1621
182: ok 1622
182: ok 1623
182: ok 1624
182: ok 1625
182: ok 1626
182: ok 1627
182: ok 1628
182: ok 1629
182: ok 1630
182: ok 1631
182: ok 1632
182: ok 1633
182: ok 1634
182: ok 1635
182: ok 1636
182: ok 1637
182: ok 1638
182: ok 1639
182: ok 1640
182: ok 1641
182: ok 1642
182: ok 1643
182: ok 1644
182: ok 1645
182: ok 1646
182: ok 1647
182: ok 1648
182: ok 1649
182: ok 1650
182: ok 1651
182: ok 1652
182: ok 1653
182: ok 1654
182: ok 1655
182: ok 1656
182: ok 1657
182: ok 1658
182: ok 1659
182: ok 1660
182: ok 1661
182: ok 1662
182: ok 1663
182: ok 1664
182: ok 1665
182: ok 1666
182: ok 1667
182: ok 1668
182: ok 1669
182: ok 1670
182: ok 1671
182: ok 1672
182: ok 1673
182: ok 1674
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182: ok 1676
182: ok 1677
182: ok 1678
182: ok 1679
182: ok 1680
182: ok 1681
182: ok 1682
182: ok 1683
182: ok 1684
182: ok 1685
182: ok 1686
182: ok 1687
182: ok 1688
182: ok 1689
182: ok 1690
182: ok 1691
182: ok 1692
182: ok 1693
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182: ok 1696
182: ok 1697
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182: ok 1699
182: ok 1700
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182: ok 1719
182: ok 1720
182: ok 1721
182: ok 1722
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182: ok 1724
182: ok 1725
182: ok 1726
182: ok 1727
182: ok 1728
182: ok 1729
182: ok 1730
182: ok 1731
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182: ok 1733
182: ok 1734
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182: ok 1741
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182: ok 1746
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182: ok 1753
182: ok 1754
182: ok 1755
182: ok 1756
182: ok 1757
182: ok 1758
182: ok 1759
182: ok 1760
182: ok 1761
182: ok 1762
182: ok 1763
182: ok 1764
182: ok 1765
182: ok 1766
182: ok 1767
182: ok 1768
182: ok 1769
182: ok 1770
182: ok 1771
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182: ok 1773
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182: ok 1776
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182: ok 1779
182: ok 1780
182: ok 1781
182: ok 1782
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182: ok 1784
182: ok 1785
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182: ok 1788
182: ok 1789
182: ok 1790
182: ok 1791
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182: ok 1793
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182: ok 1796
182: ok 1797
182: ok 1798
182: ok 1799
182: ok 1800
182: ok 1801
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182: ok 1809
182: ok 1810
182: ok 1811
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182: ok 1813
182: ok 1814
182: ok 1815
182: ok 1816
182: ok 1817
182: ok 1818
182: ok 1819
182: ok 1820
182: ok 1821
182: ok 1822
182: ok 1823
182: ok 1824
182: ok 1825
182: ok 1826
182: ok 1827
182: ok 1828
182: ok 1829
182: ok 1830
182: ok 1831
182: ok 1832
182: ok 1833
182: ok 1834
182: ok 1835
182: ok 1836
182: ok 1837
182: ok 1838
182: ok 1839
182: ok 1840
182: ok 1841
182: ok 1842
182: ok 1843
182: ok 1844
182: ok 1845
182: ok 1846
182: ok 1847
182: ok 1848
182: ok 1849
182: ok 1850
182: ok 1851
182: ok 1852
182: ok 1853
182: ok 1854
182: ok 1855
182: ok 1856
182: ok 1857
182: ok 1858
182: ok 1859
182: ok 1860
182: ok 1861
182: ok 1862
182: ok 1863
182: ok 1864
182: ok 1865
182: ok 1866
182: ok 1867
182: ok 1868
182: ok 1869
182: ok 1870
182: ok 1871
182: ok 1872
182: ok 1873
182: ok 1874
182: ok 1875
182: ok 1876
182: ok 1877
182: ok 1878
182: ok 1879
182: ok 1880
182: ok 1881
182: ok 1882
182: ok 1883
182: ok 1884
182: ok 1885
182: ok 1886
182: ok 1887
182: ok 1888
182: ok 1889
182: ok 1890
182: ok 1891
182: ok 1892
182: ok 1893
182: ok 1894
182: ok 1895
182: ok 1896
182: ok 1897
182: ok 1898
182: ok 1899
182: ok 1900
182: ok 1901
182: ok 1902
182: ok 1903
182: ok 1904
182: ok 1905
182: ok 1906
182: ok 1907
182: ok 1908
182: ok 1909
182: ok 1910
182: ok 1911
182: ok 1912
182: ok 1913
182: ok 1914
182: ok 1915
182: ok 1916
182: ok 1917
182: ok 1918
182: ok 1919
182: ok 1920
182: ok 1921
182: ok 1922
182: ok 1923
182: ok 1924
182: ok 1925
182: ok 1926
182: ok 1927
182: ok 1928
182: ok 1929
182: ok 1930
182: ok 1931
182: ok 1932
182: ok 1933
182: ok 1934
182: ok 1935
182: ok 1936
182: ok 1937
182: ok 1938
182: ok 1939
182: ok 1940
182: ok 1941
182: ok 1942
182: ok 1943
182: ok 1944
182: ok 1945
182: ok 1946
182: ok 1947
182: ok 1948
182: ok 1949
182: ok 1950
182: ok 1951
182: ok 1952
182: ok 1953
182: ok 1954
182: ok 1955
182: ok 1956
182: ok 1957
182: ok 1958
182: ok 1959
182: ok 1960
182: ok 1961
182: ok 1962
182: ok 1963
182: ok 1964
182: ok 1965
182: ok 1966
182: ok 1967
182: ok 1968
182: ok 1969
182: ok 1970
182: ok 1971
182: ok 1972
182: ok 1973
182: ok 1974
182: ok 1975
182: ok 1976
182: ok 1977
182: ok 1978
182: ok 1979
182: ok 1980
182: ok 1981
182: ok 1982
182: ok 1983
182: ok 1984
182: ok 1985
182: ok 1986
182: ok 1987
182: ok 1988
182: ok 1989
182: ok 1990
182: ok 1991
182: ok 1992
182: ok 1993
182: ok 1994
182: ok 1995
182: ok 1996
182: ok 1997
182: ok 1998
182: ok 1999
182: ok 2000
182: ok 2001
182: ok 2002
182: ok 2003
182: ok 2004
182: ok 2005
182: ok 2006
182: ok 2007
182: ok 2008
182: ok 2009
182: ok 2010
182: ok 2011
182: ok 2012
182: ok 2013
182: ok 2014
182: ok 2015
182: ok 2016
182: ok 2017
182: ok 2018
182: ok 2019
182: ok 2020
182: ok 2021
182: ok 2022
182: ok 2023
182: ok 2024
182: ok 2025
182: ok 2026
182: ok 2027
182: ok 2028
182: ok 2029
182: ok 2030
182: ok 2031
182: ok 2032
182: ok 2033
182: ok 2034
182: ok 2035
182: ok 2036
182: ok 2037
182: ok 2038
182: ok 2039
182: ok 2040
182: ok 2041
182: ok 2042
182: ok 2043
182: ok 2044
182: ok 2045
182: ok 2046
182: ok 2047
182: ok 2048
182: ok 2049
182: ok 2050
182: ok 2051
182: ok 2052
182: ok 2053
182: ok 2054
182: ok 2055
182: ok 2056
182: ok 2057
182: ok 2058
182: ok 2059
182: ok 2060
182: ok 2061
182: ok 2062
182: ok 2063
182: ok 2064
182: ok 2065
182: ok 2066
182: ok 2067
182: ok 2068
182: ok 2069
182: ok 2070
182: ok 2071
182: ok 2072
182: ok 2073
182: ok 2074
182: ok 2075
182: ok 2076
182: ok 2077
182: ok 2078
182: ok 2079
182: ok 2080
182: ok 2081
182: ok 2082
182: ok 2083
182: ok 2084
182: ok 2085
182: ok 2086
182: ok 2087
182: ok 2088
182: ok 2089
182: ok 2090
182: ok 2091
182: ok 2092
182: ok 2093
182: ok 2094
182: ok 2095
182: ok 2096
182: ok 2097
182: ok 2098
182: ok 2099
182: ok 2100
182: ok 2101
182: ok 2102
182: ok 2103
182: ok 2104
182: ok 2105
182: ok 2106
182: ok 2107
182: ok 2108
182: ok 2109
182: ok 2110
182: ok 2111
182: ok 2112
182: ok 2113
182: ok 2114
182: ok 2115
182: ok 2116
182: ok 2117
182: ok 2118
182: ok 2119
182: ok 2120
182: ok 2121
182: ok 2122
182: ok 2123
182: ok 2124
182: ok 2125
182: ok 2126
182: ok 2127
182: ok 2128
182: ok 2129
182: ok 2130
182: ok 2131
182: ok 2132
182: ok 2133
182: ok 2134
182: ok 2135
182: ok 2136
182: ok 2137
182: ok 2138
182: ok 2139
182: ok 2140
182: ok 2141
182: ok 2142
182: ok 2143
182: ok 2144
182: ok 2145
182: ok 2146
182: ok 2147
182: ok 2148
182: ok 2149
182: ok 2150
182: ok 2151
182: ok 2152
182: ok 2153
182: ok 2154
182: ok 2155
182: ok 2156
182: ok 2157
182: ok 2158
182: ok 2159
182: ok 2160
182: ok 2161
182: ok 2162
182: ok 2163
182: ok 2164
182: ok 2165
182: ok 2166
182: ok 2167
182: ok 2168
182: ok 2169
182: ok 2170
182: ok 2171
182: ok 2172
182: ok 2173
182: ok 2174
182: ok 2175
182: ok 2176
182: ok 2177
182: ok 2178
182: ok 2179
182: ok 2180
182: ok 2181
182: ok 2182
182: ok 2183
182: ok 2184
182: ok 2185
182: ok 2186
182: ok 2187
182: ok 2188
182: ok 2189
182: ok 2190
182: ok 2191
182: ok 2192
182: ok 2193
182: ok 2194
182: ok 2195
182: ok 2196
182: ok 2197
182: ok 2198
182: ok 2199
182: ok 2200
182: ok 2201
182: ok 2202
182: ok 2203
182: ok 2204
182: ok 2205
182: ok 2206
182: ok 2207
182: ok 2208
182: ok 2209
182: ok 2210
182: ok 2211
182: ok 2212
182: ok 2213
182: ok 2214
182: ok 2215
182: ok 2216
182: ok 2217
182: ok 2218
182: ok 2219
182: ok 2220
182: ok 2221
182: ok 2222
182: ok 2223
182: ok 2224
182: ok 2225
182: ok 2226
182: ok 2227
182: ok 2228
182: ok 2229
182: ok 2230
182: ok 2231
182: ok 2232
182: ok 2233
182: ok 2234
182: ok 2235
182: ok 2236
182: ok 2237
182: ok 2238
182: ok 2239
182: ok 2240
182: ok 2241
182: ok 2242
182: ok 2243
182: ok 2244
182: ok 2245
182: ok 2246
182: ok 2247
182: ok 2248
182: ok 2249
182: ok 2250
182: ok 2251
182: ok 2252
182: ok 2253
182: ok 2254
182: ok 2255
182: ok 2256
182: ok 2257
182: ok 2258
182: ok 2259
182: ok 2260
182: ok 2261
182: ok 2262
182: ok 2263
182: ok 2264
182: ok 2265
182: ok 2266
182: ok 2267
182: ok 2268
182: ok 2269
182: ok 2270
182: ok 2271
182: ok 2272
182: ok 2273
182: ok 2274
182: ok 2275
182: ok 2276
182: ok 2277
182: ok 2278
182: ok 2279
182: ok 2280
182: ok 2281
182: ok 2282
182: ok 2283
182: ok 2284
182: ok 2285
182: ok 2286
182: ok 2287
182: ok 2288
182: ok 2289
182: ok 2290
182: ok 2291
182: ok 2292
182: ok 2293
182: ok 2294
182: ok 2295
182: ok 2296
182: ok 2297
182: ok 2298
182: ok 2299
182: ok 2300
182: ok 2301
182: ok 2302
182: ok 2303
182: ok 2304
182: ok 2305
182: ok 2306
182: ok 2307
182: ok 2308
182: ok 2309
182: ok 2310
182: ok 2311
182: ok 2312
182: ok 2313
182: ok 2314
182: ok 2315
182: ok 2316
182: ok 2317
182: ok 2318
182: ok 2319
182: ok 2320
182: ok 2321
182: ok 2322
182: ok 2323
182: ok 2324
182: ok 2325
182: ok 2326
182: ok 2327
182: ok 2328
182: ok 2329
182: ok 2330
182: ok 2331
182: ok 2332
182: ok 2333
182: ok 2334
182: ok 2335
182: ok 2336
182: ok 2337
182: ok 2338
182: ok 2339
182: ok 2340
182: ok 2341
182: ok 2342
182: ok 2343
182: ok 2344
182: ok 2345
182: ok 2346
182: ok 2347
182: ok 2348
182: ok 2349
182: ok 2350
182: ok 2351
182: ok 2352
182: ok 2353
182: ok 2354
182: ok 2355
182: ok 2356
182: ok 2357
182: ok 2358
182: ok 2359
182: ok 2360
182: ok 2361
182: ok 2362
182: ok 2363
182: ok 2364
182: ok 2365
182: ok 2366
182: ok 2367
182: ok 2368
182: ok 2369
182: ok 2370
182: ok 2371
182: ok 2372
182: ok 2373
182: ok 2374
182: ok 2375
182: ok 2376
182: ok 2377
182: ok 2378
182: ok 2379
182: ok 2380
182: ok 2381
182: ok 2382
182: ok 2383
182: ok 2384
182: ok 2385
182: ok 2386
182: ok 2387
182: ok 2388
182: ok 2389
182: ok 2390
182: ok 2391
182: ok 2392
182: ok 2393
182: ok 2394
182: ok 2395
182: ok 2396
182: ok 2397
182: ok 2398
182: ok 2399
182: ok 2400
182: ok 2401
182: ok 2402
182: ok 2403
182: ok 2404
182: ok 2405
182: ok 2406
182: ok 2407
182: ok 2408
182: ok 2409
182: ok 2410
182: ok 2411
182: ok 2412
182: ok 2413
182: ok 2414
182: ok 2415
182: ok 2416
182: ok 2417
182: ok 2418
182: ok 2419
182: ok 2420
182: ok 2421
182: ok 2422
182: ok 2423
182: ok 2424
182: ok 2425
182: ok 2426
182: ok 2427
182: ok 2428
182: ok 2429
182: ok 2430
182: ok 2431
182: ok 2432
182: ok 2433
182: ok 2434
182: ok 2435
182: ok 2436
182: ok 2437
182: ok 2438
182: ok 2439
182: ok 2440
182: ok 2441
182: ok 2442
182: ok 2443
182: ok 2444
182: ok 2445
182: ok 2446
182: ok 2447
182: ok 2448
182: ok 2449
182: ok 2450
182: ok 2451
182: ok 2452
182: ok 2453
182: ok 2454
182: ok 2455
182: ok 2456
182: ok 2457
182: ok 2458
182: ok 2459
182: ok 2460
182: ok 2461
182: ok 2462
182: ok 2463
182: ok 2464
182: ok 2465
182: ok 2466
182: ok 2467
182: ok 2468
182: ok 2469
182: ok 2470
182: ok 2471
182: ok 2472
182: ok 2473
182: ok 2474
182: ok 2475
182: ok 2476
182: ok 2477
182: ok 2478
182: ok 2479
182: ok 2480
182: ok 2481
182: ok 2482
182: ok 2483
182: ok 2484
182: ok 2485
182: ok 2486
182: ok 2487
182: ok 2488
182: ok 2489
182: ok 2490
182: ok 2491
182: ok 2492
182: ok 2493
182: ok 2494
182: ok 2495
182: ok 2496
182: ok 2497
182: ok 2498
182: ok 2499
182: ok 2500
182: ok 2501
182: ok 2502
182: ok 2503
182: ok 2504
182: ok 2505
182: ok 2506
182: ok 2507
182: ok 2508
182: ok 2509
182: ok 2510
182: ok 2511
182: ok 2512
182: ok 2513
182: ok 2514
182: ok 2515
182: ok 2516
182: ok 2517
182: ok 2518
182: ok 2519
182: ok 2520
182: ok 2521
182: ok 2522
182: ok 2523
182: ok 2524
182: ok 2525
182: ok 2526
182: ok 2527
182: ok 2528
182: ok 2529
182: ok 2530
182: ok 2531
182: ok 2532
182: ok 2533
182: ok 2534
182: ok 2535
182: ok 2536
182: ok 2537
182: ok 2538
182: ok 2539
182: ok 2540
182: ok 2541
182: ok 2542
182: ok 2543
182: ok 2544
182: ok 2545
182: ok 2546
182: ok 2547
182: ok 2548
182: ok 2549
182: ok 2550
182: ok 2551
182: ok 2552
182: ok 2553
182: ok 2554
182: ok 2555
182: ok 2556
182: ok 2557
182: ok 2558
182: ok 2559
182: ok 2560
182: ok 2561
182: ok 2562
182: ok 2563
182: ok 2564
182: ok 2565
182: ok 2566
182: ok 2567
182: ok 2568
182: ok 2569
182: ok 2570
182: ok 2571
182: ok 2572
182: ok 2573
182: ok 2574
182: ok 2575
182: ok 2576
182: ok 2577
182: ok 2578
182: ok 2579
182: ok 2580
182: ok 2581
182: ok 2582
182: ok 2583
182: ok 2584
182: ok 2585
182: ok 2586
182: ok 2587
182: ok 2588
182: ok 2589
182: ok 2590
182: ok 2591
182: ok 2592
182: ok 2593
182: ok 2594
182: ok 2595
182: ok 2596
182: ok 2597
182: ok 2598
182: ok 2599
182: ok 2600
182: ok 2601
182: ok 2602
182: ok 2603
182: ok 2604
182: ok 2605
182: ok 2606
182: ok 2607
182: ok 2608
182: ok 2609
182: ok 2610
182: ok 2611
182: ok 2612
182: ok 2613
182: ok 2614
182: ok 2615
182: ok 2616
182: ok 2617
182: ok 2618
182: ok 2619
182: ok 2620
182: ok 2621
182: ok 2622
182: ok 2623
182: ok 2624
182: ok 2625
182: ok 2626
182: ok 2627
182: ok 2628
182: ok 2629
182: ok 2630
182: ok 2631
182: ok 2632
182: ok 2633
182: ok 2634
182: ok 2635
182: ok 2636
182: ok 2637
182: ok 2638
182: ok 2639
182: ok 2640
182: ok 2641
182: ok 2642
182: ok 2643
182: ok 2644
182: ok 2645
182: ok 2646
182: ok 2647
182: ok 2648
182: ok 2649
182: ok 2650
182: ok 2651
182: ok 2652
182: ok 2653
182: ok 2654
182: ok 2655
182: ok 2656
182: ok 2657
182: ok 2658
182: ok 2659
182: ok 2660
182: ok 2661
182: ok 2662
182: ok 2663
182: ok 2664
182: ok 2665
182: ok 2666
182: ok 2667
182: ok 2668
182: ok 2669
182: ok 2670
182: ok 2671
182: ok 2672
182: ok 2673
182: ok 2674
182: ok 2675
182: ok 2676
182: ok 2677
182: ok 2678
182: ok 2679
182: ok 2680
182: ok 2681
182: ok 2682
182: ok 2683
182: ok 2684
182: ok 2685
182: ok 2686
182: ok 2687
182: ok 2688
182: ok 2689
182: ok 2690
182: ok 2691
182: ok 2692
182: ok 2693
182: ok 2694
182: ok 2695
182: ok 2696
182: ok 2697
182: ok 2698
182: ok 2699
182: ok 2700
182: ok 2701
182: ok 2702
182: ok 2703
182: ok 2704
182: ok 2705
182: ok 2706
182: ok 2707
182: ok 2708
182: ok 2709
182: ok 2710
182: ok 2711
182: ok 2712
182: ok 2713
182: ok 2714
182: ok 2715
182: ok 2716
182: ok 2717
182: ok 2718
182: ok 2719
182: ok 2720
182: ok 2721
182: ok 2722
182: ok 2723
182: ok 2724
182: ok 2725
182: ok 2726
182: ok 2727
182: ok 2728
182: ok 2729
182: ok 2730
182: ok 2731
182: ok 2732
182: ok 2733
182: ok 2734
182: ok 2735
182: ok 2736
182: ok 2737
182: ok 2738
182: ok 2739
182: ok 2740
182: ok 2741
182: ok 2742
182: ok 2743
182: ok 2744
182: ok 2745
182: ok 2746
182: ok 2747
182: ok 2748
182: ok 2749
182: ok 2750
182: ok 2751
182: ok 2752
182: ok 2753
182: ok 2754
182: ok 2755
182: ok 2756
182: ok 2757
182: ok 2758
182: ok 2759
182: ok 2760
182: ok 2761
182: ok 2762
182: ok 2763
182: ok 2764
182: ok 2765
182: ok 2766
182: ok 2767
182: ok 2768
182: ok 2769
182: ok 2770
182: ok 2771
182: ok 2772
182: ok 2773
182: ok 2774
182: ok 2775
182: ok 2776
182: ok 2777
182: ok 2778
182: ok 2779
182: ok 2780
182: ok 2781
182: ok 2782
182: ok 2783
182: ok 2784
182: ok 2785
182: ok 2786
182: ok 2787
182: ok 2788
182: ok 2789
182: ok 2790
182: ok 2791
182: ok 2792
182: ok 2793
182: ok 2794
182: ok 2795
182: ok 2796
182: ok 2797
182: ok 2798
182: ok 2799
182: ok 2800
182: ok 2801
182: ok 2802
182: ok 2803
182: ok 2804
182: ok 2805
182: ok 2806
182: ok 2807
182: ok 2808
182: ok 2809
182: ok 2810
182: ok 2811
182: ok 2812
182: ok 2813
182: ok 2814
182: ok 2815
182: ok 2816
182: ok 2817
182: ok 2818
182: ok 2819
182: ok 2820
182: ok 2821
182: ok 2822
182: ok 2823
182: ok 2824
182: ok 2825
182: ok 2826
182: ok 2827
182: ok 2828
182: ok 2829
182: ok 2830
182: ok 2831
182: ok 2832
182: ok 2833
182: ok 2834
182: ok 2835
182: ok 2836
182: ok 2837
182: ok 2838
182: ok 2839
182: ok 2840
182: ok 2841
182: ok 2842
182: ok 2843
182: ok 2844
182: ok 2845
182: ok 2846
182: ok 2847
182: ok 2848
182: ok 2849
182: ok 2850
182: ok 2851
182: ok 2852
182: ok 2853
182: ok 2854
182: ok 2855
182: ok 2856
182: ok 2857
182: ok 2858
182: ok 2859
182: ok 2860
182: ok 2861
182: ok 2862
182: ok 2863
182: ok 2864
182: ok 2865
182: ok 2866
182: ok 2867
182: ok 2868
182: ok 2869
182: ok 2870
182: ok 2871
182: ok 2872
182: ok 2873
182: ok 2874
182: ok 2875
182: ok 2876
182: ok 2877
182: ok 2878
182: ok 2879
182: ok 2880
182: ok 2881
182: ok 2882
182: ok 2883
182: ok 2884
182: ok 2885
182: ok 2886
182: ok 2887
182: ok 2888
182: ok 2889
182: ok 2890
182: ok 2891
182: ok 2892
182: ok 2893
182: ok 2894
182: ok 2895
182: ok 2896
182: ok 2897
182: ok 2898
182: ok 2899
182: ok 2900
182: ok 2901
182: ok 2902
182: ok 2903
182: ok 2904
182: ok 2905
182: ok 2906
182: ok 2907
182: ok 2908
182: ok 2909
182: ok 2910
182: ok 2911
182: ok 2912
182: ok 2913
182: ok 2914
182: ok 2915
182: ok 2916
182: ok 2917
182: ok 2918
182: ok 2919
182: ok 2920
182: ok 2921
182: ok 2922
182: ok 2923
182: ok 2924
182: ok 2925
182: ok 2926
182: ok 2927
182: ok 2928
182: ok 2929
182: ok 2930
182: ok 2931
182: ok 2932
182: ok 2933
182: ok 2934
182: ok 2935
182: ok 2936
182: ok 2937
182: ok 2938
182: ok 2939
182: ok 2940
182: ok 2941
182: ok 2942
182: ok 2943
182: ok 2944
182: ok 2945
182: ok 2946
182: ok 2947
182: ok 2948
182: ok 2949
182: ok 2950
182: ok 2951
182: ok 2952
182: ok 2953
182: ok 2954
182: ok 2955
182: ok 2956
182: ok 2957
182: ok 2958
182: ok 2959
182: ok 2960
182: ok 2961
182: ok 2962
182: ok 2963
182: ok 2964
182: ok 2965
182: ok 2966
182: ok 2967
182: ok 2968
182: ok 2969
182: ok 2970
182: ok 2971
182: ok 2972
182: ok 2973
182: ok 2974
182: ok 2975
182: ok 2976
182: ok 2977
182: ok 2978
182: ok 2979
182: ok 2980
182: ok 2981
182: ok 2982
182: ok 2983
182: ok 2984
182: ok 2985
182: ok 2986
182: ok 2987
182: ok 2988
182: ok 2989
182: ok 2990
182: ok 2991
182: ok 2992
182: ok 2993
182: ok 2994
182: ok 2995
182: ok 2996
182: ok 2997
182: ok 2998
182: ok 2999
182: ok 3000
182: ok 3001
182: ok 3002
182: ok 3003
182: ok 3004
182: ok 3005
182: ok 3006
182: ok 3007
182: ok 3008
182: ok 3009
182: ok 3010
182: ok 3011
182: ok 3012
182: ok 3013
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168:     torsion ( -0.351,  -0.466,  -0.004)  ( -0.351,  -0.466,  -0.004)  ( 0.00,  0.01,  0.00)
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168:     electro (  0.003,  -0.015,  -0.276)  (  0.003,  -0.015,  -0.276)  ( 0.00,  0.00,  0.00)
168: 31       ( -0.704,   0.375,   0.383)  ( -0.707,   0.370,   0.384)  ( 0.17,  0.17,  0.04)
168:     bond    ( -1.807,   1.366,   0.917)  ( -1.805,   1.368,   0.917)  ( 0.11,  0.09,  0.05)
168:     angle   (  0.005,   0.002,   0.007)  (  0.005,   0.002,   0.008)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  0.452,  -0.351,  -0.140)  (  0.452,  -0.351,  -0.140)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.111,  -0.144,  -0.004)  ( -0.110,  -0.143,  -0.004)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.028,   0.036,   0.000)  (  0.023,   0.030,   0.000)  ( 0.01,  0.02,  0.00)
168:     vdw     (  0.558,  -0.417,  -0.304)  (  0.558,  -0.417,  -0.304)  ( 0.00,  0.00,  0.00)
168:     electro (  0.170,  -0.118,  -0.094)  (  0.170,  -0.118,  -0.094)  ( 0.00,  0.00,  0.00)
168: 32       (  1.630,  -4.947,   2.895)  (  1.690,  -4.961,   2.864)  ( 3.68,  0.29,  1.07)
168:     bond    ( -5.280,  -7.572,  -4.556)  ( -5.277,  -7.567,  -4.554)  ( 0.05,  0.06,  0.04)
168:     angle   ( -0.110,   0.279,  -0.337)  ( -0.110,   0.279,  -0.337)  ( 0.00,  0.01,  0.02)
168:     strbnd  (  1.293,   1.229,   1.466)  (  1.293,   1.229,   1.466)  ( 0.00,  0.01,  0.01)
168:     torsion (  1.739,  -0.595,  -1.027)  (  1.739,  -0.595,  -1.027)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.260,   0.090,   0.151)  ( -0.202,   0.070,   0.118)  ( 1.49,  0.18,  0.50)
168:     vdw     (  4.932,   0.142,   8.178)  (  4.933,   0.142,   8.178)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.685,   1.480,  -0.981)  ( -0.685,   1.480,  -0.981)  ( 0.00,  0.00,  0.00)
168: 33       (  0.265,  -3.628,   2.174)  (  0.299,  -3.635,   2.159)  ( 0.90,  0.18,  0.67)
168:     bond    (  4.715,   4.557,   6.062)  (  4.716,   4.560,   6.065)  ( 0.02,  0.07,  0.06)
168:     angle   ( -7.689, -18.240,  -5.025)  ( -7.688, -18.238,  -5.024)  ( 0.01,  0.01,  0.01)
168:     strbnd  (  3.295,  -2.419,   7.181)  (  3.295,  -2.419,   7.181)  ( 0.00,  0.01,  0.00)
168:     torsion ( -1.716,   0.412,   0.834)  ( -1.716,   0.412,   0.834)  ( 0.01,  0.00,  0.00)
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168:     vdw     (  1.937,  10.751,  -6.247)  (  1.938,  10.752,  -6.247)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.069,   1.237,  -0.752)  ( -0.069,   1.237,  -0.752)  ( 0.00,  0.00,  0.00)
168: 34       ( -1.330,   1.205,  -3.164)  ( -1.324,   1.210,  -3.159)  ( 0.46,  0.42,  0.18)
168:     bond    ( -0.334,  -4.761,   2.356)  ( -0.329,  -4.757,   2.361)  ( 0.15,  0.10,  0.19)
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168:     torsion (  1.469,  -0.111,  -0.152)  (  1.469,  -0.111,  -0.152)  ( 0.00,  0.00,  0.00)
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168:     vdw     ( -3.779,   1.527,  -7.078)  ( -3.779,   1.527,  -7.078)  ( 0.00,  0.00,  0.00)
168:     electro (  0.573,  -0.371,   1.082)  (  0.573,  -0.371,   1.082)  ( 0.00,  0.00,  0.00)
168: 35       (  0.303,   0.212,   0.053)  (  0.304,   0.213,   0.055)  ( 0.04,  0.01,  0.01)
168:     bond    (  0.249,   0.013,   0.448)  (  0.250,   0.013,   0.451)  ( 0.02,  0.00,  0.12)
168:     angle   (  0.291,   0.661,  -0.181)  (  0.291,   0.662,  -0.181)  ( 0.01,  0.04,  0.00)
168:     strbnd  ( -0.215,  -0.451,  -0.159)  ( -0.215,  -0.451,  -0.159)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.017,  -0.004,  -0.009)  (  0.017,  -0.004,  -0.009)  ( 0.00,  0.00,  0.00)
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168:     vdw     ( -0.039,  -0.007,  -0.046)  ( -0.039,  -0.007,  -0.046)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 36       (  0.432,   0.172,   0.118)  (  0.434,   0.174,   0.120)  ( 0.05,  0.03,  0.02)
168:     bond    (  0.425,  -0.592,  -0.547)  (  0.425,  -0.590,  -0.545)  ( 0.03,  0.08,  0.07)
168:     angle   (  1.840,  -0.935,   2.446)  (  1.841,  -0.935,   2.446)  ( 0.02,  0.03,  0.01)
168:     strbnd  (  0.155,  -0.679,  -0.026)  (  0.155,  -0.679,  -0.026)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.272,  -0.056,  -0.151)  ( -0.272,  -0.056,  -0.151)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.715,   2.434,  -1.604)  ( -1.715,   2.434,  -1.604)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 37       (  0.355,  -0.026,   0.062)  (  0.358,  -0.025,   0.062)  ( 0.11,  0.00,  0.00)
168:     bond    ( -0.517,  -0.155,   0.092)  ( -0.514,  -0.155,   0.092)  ( 0.16,  0.00,  0.00)
168:     angle   (  0.968,  -1.352,   3.151)  (  0.969,  -1.351,   3.152)  ( 0.01,  0.04,  0.01)
168:     strbnd  ( -0.412,  -0.566,   0.270)  ( -0.412,  -0.566,   0.270)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.011,  -0.098,  -0.229)  ( -0.011,  -0.098,  -0.229)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.326,   2.145,  -3.222)  (  0.326,   2.145,  -3.222)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: ok 26 # gradients 
168: ok 27 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       ( -2.053,   0.415,  -0.337)  ( -2.105,   0.368,  -0.075)  ( 2.53,  1.96,  8.81)
168:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
168:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
168:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
168:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
168:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
168:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
168:     electro (  0.486,   0.087,   0.038)  (  0.486,   0.087,   0.038)  ( 0.00,  0.00,  0.00)
168:  2       (  0.088,   0.178,   0.659)  (  0.225,   0.295,   0.137)  ( 1.20,  2.08, 34.38)
168:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
168:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
168:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
168:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
168:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
168:     electro (  0.052,  -0.254,  -0.057)  (  0.052,  -0.254,  -0.057)  ( 0.00,  0.00,  0.00)
168:  3       (  0.944,   1.074,   0.464)  (  0.859,   1.006,   0.824)  ( 8.03,  6.34, 16.68)
168:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
168:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
168:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
168:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
168:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
168:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.569,   0.038,  -0.166)  ( -0.569,   0.038,  -0.166)  ( 0.00,  0.00,  0.00)
168:  4       (  0.427,  -1.622,  -0.238)  (  0.436,  -1.613,  -0.247)  ( 0.36,  0.57,  0.21)
168:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
168:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
168:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
168:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
168:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
168:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
168:     electro (  0.349,   0.071,  -0.029)  (  0.349,   0.071,  -0.029)  ( 0.00,  0.00,  0.00)
168:  5       ( -6.203,   2.397,   1.174)  ( -6.193,   2.403,   1.165)  ( 0.15,  0.28,  0.83)
168:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
168:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
168:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
168:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
168:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
168:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.343,   0.567,  -0.136)  ( -0.343,   0.567,  -0.136)  ( 0.00,  0.00,  0.00)
168:  6       (  1.625,  -1.131,  -0.206)  (  1.645,  -1.109,  -0.266)  ( 1.28,  1.91,  1.23)
168:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
168:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
168:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
168:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
168:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
168:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.144,   0.140,   0.062)  ( -0.144,   0.140,   0.062)  ( 0.00,  0.00,  0.00)
168:  7       ( -1.018,  -0.292,  -0.300)  ( -1.008,  -0.282,  -0.315)  ( 0.96,  0.31,  0.44)
168:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
168:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
168:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
168:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
168:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
168:     electro (  0.448,  -0.945,  -0.018)  (  0.448,  -0.945,  -0.018)  ( 0.00,  0.00,  0.00)
168:  8       ( -1.004,   2.236,   0.069)  ( -1.034,   2.210,   0.203)  ( 3.05,  1.13,  0.92)
168:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
168:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
168:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
168:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
168:     electro (  0.013,  -0.285,   0.000)  (  0.013,  -0.285,   0.000)  ( 0.00,  0.00,  0.00)
168:  9       (  0.351,  -0.939,   0.203)  (  0.357,  -0.933,   0.209)  ( 0.20,  0.53,  0.11)
168:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
168:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
168:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
168:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
168:     electro (  0.040,  -0.039,  -0.079)  (  0.040,  -0.039,  -0.079)  ( 0.00,  0.00,  0.00)
168: 10       (  0.625,  -1.053,  -0.035)  (  0.652,  -1.028,  -0.117)  ( 1.68,  2.30,  0.29)
168:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
168:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
168:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
168:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
168:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.080,  -0.003,  -0.041)  ( -0.080,  -0.003,  -0.041)  ( 0.00,  0.00,  0.00)
168: 11       ( -0.026,  -0.445,  -0.490)  ( -0.012,  -0.431,  -0.525)  ( 0.04,  0.66,  1.67)
168:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
168:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
168:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
168:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
168:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
168:     electro (  0.189,   0.026,   0.145)  (  0.189,   0.026,   0.145)  ( 0.00,  0.00,  0.00)
168: 12       (  0.717,  -9.657,   1.652)  (  0.730,  -9.654,   1.624)  ( 0.90,  0.03,  1.69)
168:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
168:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
168:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
168:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
168:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
168:     electro (  0.012,  -0.260,   0.065)  (  0.012,  -0.260,   0.065)  ( 0.00,  0.00,  0.00)
168: 13       (  2.460,  -6.087,   1.095)  (  2.467,  -6.080,   1.098)  ( 0.27,  0.12,  0.31)
168:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
168:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
168:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
168:     electro (  0.099,   0.153,  -0.002)  (  0.099,   0.153,  -0.002)  ( 0.00,  0.00,  0.00)
168: 14       ( -0.730,  -2.358,   0.160)  ( -0.723,  -2.352,   0.165)  ( 0.49,  0.28,  0.07)
168:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
168:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
168:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
168:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.202,   0.073,  -0.025)  ( -0.202,   0.073,  -0.025)  ( 0.00,  0.00,  0.00)
168: 15       (  2.261,  -0.162,   0.226)  (  2.268,  -0.156,   0.225)  ( 0.30,  0.10,  0.02)
168:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
168:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
168:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
168:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
168:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
168:     electro (  0.256,  -0.023,   0.038)  (  0.256,  -0.023,   0.038)  ( 0.00,  0.00,  0.00)
168: 16       ( 12.486,   1.008,   1.043)  ( 12.490,   1.019,   1.066)  ( 0.04,  1.05,  2.16)
168:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
168:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
168:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
168:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
168:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.038,   0.307,  -0.033)  ( -0.038,   0.307,  -0.033)  ( 0.00,  0.00,  0.00)
168: 17       (-13.149,  41.872,  -7.596)  (-13.137,  41.873,  -7.641)  ( 0.08,  0.00,  0.59)
168:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
168:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
168:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
168:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
168:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.100,  -0.286,  -0.023)  ( -0.100,  -0.286,  -0.023)  ( 0.00,  0.00,  0.00)
168: 18       ( 44.495,  -1.551,   2.301)  ( 44.490,  -1.525,   2.423)  ( 0.01,  1.69,  5.31)
168:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
168:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
168:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
168:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
168:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
168:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.078,   0.101,  -0.023)  ( -0.078,   0.101,  -0.023)  ( 0.00,  0.00,  0.00)
168: 19       ( 69.047,  18.195,  -0.422)  ( 69.073,  18.159,  -0.719)  ( 0.04,  0.20, 12.52)
168:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
168:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
168:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
168:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
168:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
168:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.186,  -0.044,   0.051)  ( -0.186,  -0.044,   0.051)  ( 0.00,  0.00,  0.00)
168: 20       (-66.666,   1.027,  -3.814)  (-66.673,   1.059,  -3.645)  ( 0.01,  3.11,  4.42)
168:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
168:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
168:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
168:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
168:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
168:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
168:     electro (  0.371,  -0.228,   0.325)  (  0.371,  -0.228,   0.325)  ( 0.00,  0.00,  0.00)
168: 21       (-41.992, -33.111,   1.581)  (-41.994, -33.087,   1.701)  ( 0.00,  0.07,  7.60)
168:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
168:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
168:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
168:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
168:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
168:     electro ( -1.339,  -0.127,   0.128)  ( -1.339,  -0.127,   0.128)  ( 0.00,  0.00,  0.00)
168: 22       (-10.516,   3.652,  -0.202)  (-10.513,   3.656,  -0.202)  ( 0.02,  0.11,  0.01)
168:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
168:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
168:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
168:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
168:     electro (  2.494,  -0.076,  -0.023)  (  2.494,  -0.076,  -0.023)  ( 0.00,  0.00,  0.00)
168: 23       (  1.691,   0.137,   0.101)  (  1.691,   0.137,   0.111)  ( 0.01,  0.00,  0.10)
168:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
168:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
168:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
168:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.200,  -0.165,  -0.054)  ( -0.200,  -0.165,  -0.054)  ( 0.00,  0.00,  0.00)
168: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
168:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
168:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
168:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
168:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
168:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
168:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
168:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
168:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
168:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
168:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
168:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
168:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
168:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
168:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
168:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
168:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
168:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
168:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
168:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
168:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
168:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
168:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
168:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
168:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
168:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
168:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
168:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
168:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
168:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
168:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
168:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
168:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
168:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 35       (  1.245,  -1.321,   0.243)  (  1.246,  -1.318,   0.245)  ( 0.14,  0.22,  0.04)
168:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
168:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
168:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
168:     electro (  0.168,   0.031,   0.005)  (  0.168,   0.031,   0.005)  ( 0.00,  0.00,  0.00)
168: 36       ( -2.391,   0.421,  -0.415)  ( -2.388,   0.421,  -0.415)  ( 0.15,  0.03,  0.01)
168:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
168:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
168:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
168:     electro (  0.194,  -0.038,   0.022)  (  0.194,  -0.038,   0.022)  ( 0.00,  0.00,  0.00)
168: 37       ( -1.434,   2.065,  -0.475)  ( -1.433,   2.068,  -0.473)  ( 0.07,  0.16,  0.09)
168:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
168:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
168:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.004,  -0.149,   0.017)  ( -0.004,  -0.149,   0.017)  ( 0.00,  0.00,  0.00)
168: 38       (  1.261,  -0.145,   0.322)  (  1.263,  -0.142,   0.326)  ( 0.13,  0.04,  0.10)
168:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
168:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
168:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.324,   0.454,  -0.114)  ( -0.324,   0.454,  -0.114)  ( 0.00,  0.00,  0.00)
168: 39       (  8.893, -15.193,   1.966)  (  8.900, -15.196,   1.907)  ( 0.09,  0.02,  2.99)
168:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
168:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
168:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
168:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.565,   0.871,  -0.073)  ( -1.565,   0.871,  -0.073)  ( 0.00,  0.00,  0.00)
168: ok 28 # gradients 
168: ok 29 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       (-37.071, -81.376,  -8.715)  (-37.065, -81.370,  -8.711)  ( 0.01,  0.01,  0.06)
168:     bond    ( -6.927,  -6.224,   0.204)  ( -6.923,  -6.219,   0.208)  ( 0.06,  0.08,  0.07)
168:     angle   (-43.402, -92.594,  -5.039)  (-43.401, -92.592,  -5.037)  ( 0.00,  0.00,  0.03)
168:     strbnd  ( 17.017,  19.808,  -1.013)  ( 17.017,  19.807,  -1.014)  ( 0.00,  0.00,  0.03)
168:     torsion ( -0.140,   0.089,  -0.286)  ( -0.140,   0.089,  -0.286)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.619,  -2.454,  -2.581)  ( -3.619,  -2.454,  -2.581)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  2       (-39.440,   2.545,  50.699)  (-39.434,   2.550,  50.705)  ( 0.01,  0.18,  0.01)
168:     bond    (  2.221,   0.743,  -4.295)  (  2.225,   0.746,  -4.291)  ( 0.19,  0.23,  0.10)
168:     angle   (-30.186,   6.101,  43.460)  (-30.184,   6.103,  43.462)  ( 0.01,  0.03,  0.00)
168:     strbnd  ( -8.549,  -6.318,  14.014)  ( -8.550,  -6.318,  14.014)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.634,  -0.131,  -0.999)  ( -0.634,  -0.131,  -0.999)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.292,   2.150,  -1.482)  ( -2.292,   2.150,  -1.482)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  3       ( -1.269,  40.025, -47.383)  ( -1.404,  39.151, -47.725)  (10.68,  2.19,  0.72)
168:     bond    ( -0.509,   0.513,  -6.367)  ( -0.504,   0.517,  -6.364)  ( 0.25,  0.20,  0.05)
168:     angle   ( 13.510,  14.854, -42.989)  ( 13.512,  14.856, -42.987)  ( 0.01,  0.01,  0.00)
168:     strbnd  (-14.490,   2.857,  -6.469)  (-14.491,   2.857,  -6.469)  ( 0.01,  0.01,  0.01)
168:     torsion (  0.820,  13.476,   6.086)  (  0.820,  13.476,   6.086)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.965,   7.596,   5.726)  ( -1.106,   6.716,   5.379)  (13.62, 11.59,  6.06)
168:     vdw     (  0.470,   0.645,  -3.276)  (  0.471,   0.645,  -3.276)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.106,   0.085,  -0.093)  ( -0.106,   0.085,  -0.093)  ( 0.00,  0.00,  0.00)
168:  4       ( -3.751,  47.995,  62.741)  ( -3.746,  48.001,  62.747)  ( 0.14,  0.01,  0.01)
168:     bond    ( -1.086,   2.486,   9.511)  ( -1.082,   2.490,   9.516)  ( 0.33,  0.17,  0.05)
168:     angle   ( -4.863,  51.765,  70.840)  ( -4.861,  51.767,  70.842)  ( 0.04,  0.00,  0.00)
168:     strbnd  (  4.026, -10.734, -19.678)  (  4.025, -10.735, -19.679)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.144,   0.700,  -0.367)  (  0.144,   0.700,  -0.367)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.972,   3.779,   2.435)  ( -1.972,   3.779,   2.435)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  5       (-38.552, -131.229, -55.358)  (-37.756, -128.992, -53.392)  ( 2.07,  1.70,  3.55)
168:     bond    (  8.677, -20.361, -12.122)  (  8.681, -20.358, -12.120)  ( 0.05,  0.02,  0.02)
168:     angle   (-36.816, -71.485,  11.280)  (-36.815, -71.484,  11.281)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( 12.873,  -5.181,   7.752)  ( 12.873,  -5.181,   7.752)  ( 0.00,  0.00,  0.01)
168:     torsion (-12.225, -29.725, -36.119)  (-12.225, -29.725, -36.119)  ( 0.00,  0.00,  0.00)
168:     oop     ( -5.173, -18.341, -24.805)  ( -4.382, -16.108, -22.842)  (15.29, 12.17,  7.91)
168:     vdw     ( -5.982,  13.988,  -1.401)  ( -5.982,  13.988,  -1.401)  ( 0.00,  0.00,  0.00)
168:     electro (  0.094,  -0.124,   0.056)  (  0.094,  -0.124,   0.056)  ( 0.00,  0.00,  0.00)
168:  6       ( 59.731,  60.969,  24.972)  ( 58.945,  59.687,  24.144)  ( 1.32,  2.10,  3.32)
168:     bond    ( -6.489, -13.464,  18.197)  ( -6.484, -13.459,  18.199)  ( 0.07,  0.03,  0.01)
168:     angle   ( 37.474,  50.266, -17.881)  ( 37.475,  50.267, -17.880)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( -3.586,  -8.839,   8.084)  ( -3.586,  -8.840,   8.084)  ( 0.01,  0.00,  0.00)
168:     torsion ( 14.651,  15.387,  15.614)  ( 14.652,  15.387,  15.614)  ( 0.00,  0.00,  0.00)
168:     oop     (  6.902,   8.223,   9.114)  (  6.110,   6.936,   8.282)  (11.47, 15.66,  9.13)
168:     vdw     ( 10.851,   9.567,  -8.214)  ( 10.851,   9.567,  -8.214)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.073,  -0.171,   0.058)  ( -0.073,  -0.171,   0.058)  ( 0.00,  0.00,  0.00)
168:  7       (-98.469, -30.215,   3.140)  (-97.137, -30.467,   3.742)  ( 1.35,  0.83, 19.15)
168:     bond    (-36.725,  -4.863,   0.794)  (-36.719,  -4.859,   0.795)  ( 0.01,  0.08,  0.10)
168:     angle   (-40.863, -11.120,  -0.055)  (-40.862, -11.119,  -0.054)  ( 0.00,  0.01,  0.00)
168:     strbnd  (-15.761, -19.921,  -0.231)  (-15.761, -19.921,  -0.231)  ( 0.00,  0.00,  0.00)
168:     torsion (-16.151,  -0.989,   6.996)  (-16.151,  -0.989,   6.996)  ( 0.00,  0.00,  0.01)
168:     oop     ( -6.016,   1.821,   0.042)  ( -4.691,   1.564,   0.642)  (22.03, 14.13,  2.51)
168:     vdw     ( 17.210,   4.832,  -4.353)  ( 17.210,   4.832,  -4.353)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.162,   0.025,  -0.053)  ( -0.162,   0.025,  -0.053)  ( 0.00,  0.00,  0.00)
168:  8       ( 43.352, -30.505,  99.229)  ( 42.057, -30.082,  96.879)  ( 2.99,  1.39,  2.37)
168:     bond    (  0.216,  13.908,  14.316)  (  0.219,  13.913,  14.318)  ( 0.06,  0.04,  0.01)
168:     angle   ( 11.911, -57.274,  71.476)  ( 11.912, -57.273,  71.477)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( 12.084,  27.937,   5.019)  ( 12.083,  27.936,   5.019)  ( 0.00,  0.00,  0.00)
168:     torsion (  3.830,   0.035,  -3.860)  (  3.830,   0.035,  -3.861)  ( 0.00,  0.00,  0.00)
168:     oop     (  8.502,  -2.885,  10.470)  (  7.204,  -2.469,   8.117)  (15.27, 14.44, 22.47)
168:     vdw     (  7.198, -12.680,   2.190)  (  7.198, -12.679,   2.190)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.389,   0.454,  -0.382)  ( -0.389,   0.454,  -0.382)  ( 0.00,  0.00,  0.00)
168:  9       ( 32.784,  53.653, -118.720)  ( 32.158,  52.563, -117.998)  ( 1.91,  2.03,  0.61)
168:     bond    ( 10.817,   9.746, -28.895)  ( 10.820,   9.748, -28.889)  ( 0.03,  0.02,  0.02)
168:     angle   ( 35.048,  51.699, -72.855)  ( 35.049,  51.701, -72.854)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  0.568,  -4.532,  -8.148)  (  0.567,  -4.532,  -8.148)  ( 0.01,  0.00,  0.00)
168:     torsion ( -4.728,  -6.617, -17.279)  ( -4.728,  -6.618, -17.279)  ( 0.00,  0.01,  0.00)
168:     oop     (  1.204,   5.714,  -4.530)  (  0.573,   4.622,  -3.815)  (52.37, 19.12, 15.77)
168:     vdw     (-10.056,  -2.512,  13.221)  (-10.056,  -2.512,  13.222)  ( 0.00,  0.01,  0.00)
168:     electro ( -0.068,   0.155,  -0.235)  ( -0.068,   0.155,  -0.235)  ( 0.00,  0.00,  0.00)
168: 10       ( -2.856, -19.715, 132.354)  ( -2.826, -20.000, 130.748)  ( 1.05,  1.45,  1.21)
168:     bond    ( 18.269,   6.335,   0.967)  ( 18.273,   6.339,   0.970)  ( 0.02,  0.07,  0.23)
168:     angle   (-27.608, -36.500,  84.948)  (-27.607, -36.499,  84.949)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( 12.909,   2.314,  -3.833)  ( 12.909,   2.313,  -3.833)  ( 0.00,  0.02,  0.00)
168:     torsion (  5.991,   6.815,  25.602)  (  5.992,   6.815,  25.602)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.582,   4.956,  14.815)  (  0.605,   4.666,  13.205)  ( 1.37,  5.85, 10.86)
168:     vdw     (-13.143,  -3.558,   9.953)  (-13.143,  -3.558,   9.953)  ( 0.00,  0.00,  0.00)
168:     electro (  0.145,  -0.076,  -0.098)  (  0.145,  -0.076,  -0.098)  ( 0.00,  0.00,  0.00)
168: 11       ( 47.621, -23.666, -61.746)  ( 37.332, -24.369, -53.148)  (21.61,  2.97, 13.92)
168:     bond    (-11.073,   2.546,  -4.952)  (-11.069,   2.550,  -4.949)  ( 0.04,  0.18,  0.08)
168:     angle   ( 14.987, -10.150, -58.721)  ( 14.989, -10.148, -58.720)  ( 0.01,  0.02,  0.00)
168:     strbnd  ( 17.268, -10.877,  11.808)  ( 17.267, -10.878,  11.807)  ( 0.00,  0.01,  0.01)
168:     torsion (  6.129,   3.198,  15.790)  (  6.129,   3.198,  15.790)  ( 0.00,  0.00,  0.00)
168:     oop     ( 18.909,  -6.132, -23.821)  (  8.614,  -6.841, -15.228)  (54.44, 11.57, 36.07)
168:     vdw     (  1.389,  -2.494,  -1.281)  (  1.389,  -2.494,  -1.281)  ( 0.00,  0.00,  0.00)
168:     electro (  0.012,   0.244,  -0.569)  (  0.012,   0.244,  -0.569)  ( 0.00,  0.00,  0.00)
168: 12       ( 31.693, -14.126, -65.659)  ( 31.699, -14.121, -65.654)  ( 0.02,  0.04,  0.01)
168:     bond    (  4.025,  -3.189,  -9.311)  (  4.029,  -3.185,  -9.307)  ( 0.10,  0.12,  0.05)
168:     angle   ( 35.137, -10.001, -64.710)  ( 35.139, -10.000, -64.708)  ( 0.01,  0.02,  0.00)
168:     strbnd  ( -5.006,   4.101,  11.332)  ( -5.006,   4.101,  11.331)  ( 0.01,  0.01,  0.01)
168:     torsion ( -2.865,  -1.801,  -0.962)  ( -2.865,  -1.801,  -0.962)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.401,  -3.237,  -2.009)  (  0.401,  -3.237,  -2.009)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 13       (-44.134, -77.724, 137.267)  (-23.402, -75.683, 122.411)  (46.97,  2.63, 10.82)
168:     bond    ( -2.460,   4.359,  -8.933)  ( -2.456,   4.363,  -8.924)  ( 0.18,  0.08,  0.10)
168:     angle   ( 29.524, -109.944, 134.355)  ( 29.525, -109.943, 134.355)  ( 0.00,  0.00,  0.00)
168:     strbnd  (-14.951,  10.444, -24.236)  (-14.952,  10.444, -24.237)  ( 0.01,  0.01,  0.01)
168:     torsion (  1.176,  -3.022,  -8.395)  (  1.176,  -3.022,  -8.396)  ( 0.06,  0.00,  0.01)
168:     oop     (-59.918,  23.973,  41.115)  (-39.191,  26.010,  26.252)  (34.59,  8.49, 36.15)
168:     vdw     (  2.638,  -3.488,   3.777)  (  2.638,  -3.488,   3.777)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.142,  -0.047,  -0.416)  ( -0.142,  -0.047,  -0.416)  ( 0.00,  0.00,  0.00)
168: 14       (-74.159,  -4.011, -45.310)  (-74.368,  -3.653, -44.962)  ( 0.28,  8.92,  0.77)
168:     bond    (  2.608,   8.877,  -3.192)  (  2.609,   8.883,  -3.190)  ( 0.05,  0.08,  0.06)
168:     angle   (-96.717,  12.033, -55.420)  (-96.718,  12.033, -55.421)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( -4.852, -11.840,   5.276)  ( -4.852, -11.840,   5.276)  ( 0.00,  0.00,  0.00)
168:     torsion ( 10.732,   0.866,  11.025)  ( 10.727,   0.866,  11.022)  ( 0.04,  0.00,  0.03)
168:     oop     ( 12.415, -11.706,  -6.666)  ( 12.210, -11.356,  -6.316)  ( 1.65,  3.00,  5.26)
168:     vdw     (  1.533,  -1.793,   3.152)  (  1.533,  -1.793,   3.152)  ( 0.00,  0.00,  0.00)
168:     electro (  0.122,  -0.447,   0.515)  (  0.122,  -0.447,   0.515)  ( 0.00,  0.00,  0.00)
168: 15       ( 72.737, 109.579, -59.037)  ( 62.796, 108.005, -52.228)  (13.67,  1.44, 11.53)
168:     bond    (  2.268,   0.918,   3.526)  (  2.270,   0.919,   3.532)  ( 0.12,  0.04,  0.18)
168:     angle   ( 44.112, 114.284, -58.082)  ( 44.112, 114.285, -58.082)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  4.938,   2.167,   7.080)  (  4.938,   2.167,   7.080)  ( 0.01,  0.01,  0.00)
168:     torsion ( -3.970,   1.783,   2.088)  ( -3.970,   1.783,   2.088)  ( 0.00,  0.00,  0.00)
168:     oop     ( 25.969,  -6.898, -14.899)  ( 16.024,  -8.474,  -8.097)  (38.29, 22.85, 45.66)
168:     vdw     (  0.595,  -0.501,   0.672)  (  0.595,  -0.501,   0.672)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.174,  -2.174,   0.579)  ( -1.174,  -2.174,   0.579)  ( 0.00,  0.00,  0.00)
168: 16       ( 10.862,  32.599,  -5.193)  ( 10.865,  32.600,  -5.193)  ( 0.03,  0.00,  0.01)
168:     bond    ( 12.564,  -2.116,  -0.282)  ( 12.567,  -2.116,  -0.282)  ( 0.02,  0.01,  0.00)
168:     angle   (  5.837,  35.355,  -5.146)  (  5.837,  35.356,  -5.145)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( -6.059,   0.924,   0.108)  ( -6.059,   0.924,   0.108)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.025,   0.048,   0.772)  (  0.025,   0.048,   0.772)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.506,  -1.612,  -0.646)  ( -1.506,  -1.612,  -0.646)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 17       ( 23.103,  21.401, -13.776)  ( 23.104,  21.402, -13.774)  ( 0.00,  0.01,  0.01)
168:     bond    (  0.013,   7.722,   8.189)  (  0.013,   7.723,   8.191)  ( 0.00,  0.02,  0.02)
168:     angle   ( 23.319,  18.754, -17.721)  ( 23.319,  18.754, -17.721)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( -0.112,  -4.214,  -4.433)  ( -0.112,  -4.214,  -4.433)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.254,  -0.191,   0.179)  (  0.254,  -0.191,   0.179)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.370,  -0.670,   0.010)  ( -0.370,  -0.670,   0.010)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 18       ( 33.905,  23.432,  15.855)  ( 33.905,  23.433,  15.857)  ( 0.00,  0.01,  0.01)
168:     bond    (  0.412,   8.070,  -8.784)  (  0.412,   8.072,  -8.782)  ( 0.00,  0.02,  0.02)
168:     angle   ( 35.086,  20.894,  20.850)  ( 35.086,  20.894,  20.850)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( -0.271,  -3.980,   4.289)  ( -0.271,  -3.980,   4.289)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.050,  -0.044,  -0.038)  (  0.050,  -0.044,  -0.038)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.372,  -1.509,  -0.461)  ( -1.372,  -1.509,  -0.461)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 19       (  7.842,  13.549,  15.910)  (  7.843,  13.550,  15.912)  ( 0.01,  0.01,  0.01)
168:     bond    (  4.298,  -5.557,  10.878)  (  4.298,  -5.556,  10.880)  ( 0.01,  0.01,  0.02)
168:     angle   (  5.140,  17.037,   6.669)  (  5.140,  17.038,   6.669)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( -0.222,   0.518,  -1.052)  ( -0.222,   0.518,  -1.052)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.333,  -0.021,  -0.143)  (  0.333,  -0.021,  -0.143)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.708,   1.572,  -0.443)  ( -1.707,   1.572,  -0.443)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 20       ( 24.224,   9.746,   3.735)  ( 24.225,   9.747,   3.737)  ( 0.00,  0.01,  0.06)
168:     bond    (  0.205,   8.145,  12.537)  (  0.205,   8.145,  12.539)  ( 0.00,  0.01,  0.02)
168:     angle   ( 25.409,   2.588,  -2.097)  ( 25.410,   2.588,  -2.096)  ( 0.00,  0.01,  0.01)
168:     strbnd  ( -0.027,  -1.112,  -1.794)  ( -0.027,  -1.112,  -1.794)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.559,  -0.957,   0.631)  ( -0.559,  -0.957,   0.631)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.804,   1.083,  -5.542)  ( -0.804,   1.083,  -5.542)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 21       (-14.013,  -5.680, -13.049)  (-14.012,  -5.678, -13.048)  ( 0.01,  0.05,  0.00)
168:     bond    ( -4.768, -11.721,   2.019)  ( -4.767, -11.719,   2.019)  ( 0.01,  0.02,  0.01)
168:     angle   ( -9.742,   1.595, -13.739)  ( -9.741,   1.596, -13.738)  ( 0.01,  0.01,  0.00)
168:     strbnd  (  0.618,   1.701,  -0.398)  (  0.618,   1.701,  -0.398)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.143,   0.073,   0.763)  (  0.143,   0.073,   0.763)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.264,   2.671,  -1.694)  ( -0.263,   2.671,  -1.694)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 22       (-11.466, -17.731, -34.136)  (-11.464, -17.730, -34.135)  ( 0.02,  0.00,  0.00)
168:     bond    ( 10.515,  -3.031,  -3.787)  ( 10.517,  -3.031,  -3.787)  ( 0.02,  0.01,  0.01)
168:     angle   (-17.099, -17.314, -33.631)  (-17.099, -17.314, -33.630)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( -4.687,   1.352,   1.833)  ( -4.687,   1.352,   1.833)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.036,  -0.401,   0.221)  ( -0.036,  -0.401,   0.221)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.159,   1.663,   1.228)  ( -0.159,   1.663,   1.228)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 23       (  9.654, -14.702, -18.379)  (  9.655, -14.701, -18.377)  ( 0.01,  0.01,  0.01)
168:     bond    ( -3.691,   5.903, -11.062)  ( -3.691,   5.904, -11.060)  ( 0.01,  0.01,  0.02)
168:     angle   ( 12.954, -19.869, -14.929)  ( 12.955, -19.869, -14.929)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  1.489,  -2.332,   4.677)  (  1.489,  -2.332,   4.677)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.247,  -0.126,   0.015)  ( -0.247,  -0.126,   0.015)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.851,   1.721,   2.920)  ( -0.851,   1.721,   2.920)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 24       ( 14.540,  -7.004, -26.289)  ( 14.541,  -7.001, -26.288)  ( 0.01,  0.04,  0.00)
168:     bond    ( -4.182,  -9.280,  -1.526)  ( -4.182,  -9.277,  -1.526)  ( 0.01,  0.03,  0.01)
168:     angle   ( 17.244,  -3.364, -26.810)  ( 17.244,  -3.364, -26.810)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  2.112,   4.668,   0.929)  (  2.112,   4.668,   0.929)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.199,  -0.107,   0.107)  (  0.199,  -0.107,   0.107)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.832,   1.079,   1.011)  ( -0.832,   1.079,   1.011)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 25       ( -2.164,  11.131,  -4.375)  ( -2.098,  11.194,  -4.198)  ( 3.06,  0.57,  4.03)
168:     bond    ( -0.517,  -0.905,   0.501)  ( -0.517,  -0.903,   0.502)  ( 0.04,  0.21,  0.04)
168:     angle   ( -5.394,   1.536,  -2.786)  ( -5.394,   1.537,  -2.786)  ( 0.01,  0.01,  0.00)
168:     strbnd  (  4.247,   7.387,  -3.525)  (  4.247,   7.387,  -3.525)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.245,   2.897,   3.928)  ( -1.245,   2.897,   3.928)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.602,  -0.657,  -1.800)  ( -0.537,  -0.596,  -1.625)  ( 3.91,  3.97,  9.75)
168:     vdw     (  1.342,   0.777,  -0.631)  (  1.342,   0.777,  -0.631)  ( 0.00,  0.00,  0.00)
168:     electro (  0.006,   0.097,  -0.061)  (  0.006,   0.097,  -0.061)  ( 0.00,  0.00,  0.00)
168: 26       (  7.727,  -9.491, -15.626)  (  7.376,  -9.247, -15.019)  ( 4.55,  2.57,  3.89)
168:     bond    (  0.510,   0.130,   0.247)  (  0.513,   0.130,   0.248)  ( 0.15,  0.00,  0.02)
168:     angle   ( -0.687,  -4.473,   3.772)  ( -0.687,  -4.472,   3.772)  ( 0.00,  0.01,  0.00)
168:     strbnd  ( -3.764,  -0.803,  -0.766)  ( -3.764,  -0.803,  -0.766)  ( 0.00,  0.00,  0.01)
168:     torsion (  8.777,  -3.424, -16.387)  (  8.777,  -3.424, -16.387)  ( 0.00,  0.00,  0.00)
168:     oop     (  1.606,  -0.922,  -2.844)  (  1.252,  -0.679,  -2.237)  (22.07, 22.40, 21.34)
168:     vdw     (  1.106,  -0.058,   0.139)  (  1.106,  -0.058,   0.139)  ( 0.00,  0.00,  0.00)
168:     electro (  0.179,   0.059,   0.214)  (  0.179,   0.059,   0.214)  ( 0.00,  0.00,  0.00)
168: 27       (-10.244,  -1.168,  -0.252)  ( -9.709,  -0.459,  -0.350)  ( 5.21, 60.69,  2.46)
168:     bond    ( -0.257,   0.039,  -1.081)  ( -0.257,   0.039,  -1.078)  ( 0.01,  0.00,  0.33)
168:     angle   ( -2.751,   5.638,   0.859)  ( -2.751,   5.638,   0.859)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( -0.092,   0.684,  -4.568)  ( -0.092,   0.685,  -4.568)  ( 0.00,  0.00,  0.00)
168:     torsion ( -4.710,  -4.641,   0.953)  ( -4.710,  -4.641,   0.953)  ( 0.00,  0.00,  0.00)
168:     oop     ( -2.117,  -3.288,   0.385)  ( -1.584,  -2.580,   0.284)  (25.20, 21.55,  3.90)
168:     vdw     ( -0.554,   0.339,   2.803)  ( -0.554,   0.339,   2.803)  ( 0.00,  0.00,  0.00)
168:     electro (  0.238,   0.061,   0.396)  (  0.238,   0.061,   0.396)  ( 0.00,  0.00,  0.00)
168: 28       (-35.334,  35.042, -12.778)  (-35.136,  35.088, -12.476)  ( 0.56,  0.13,  2.36)
168:     bond    ( -0.608,  -0.110,   0.410)  ( -0.606,  -0.110,   0.411)  ( 0.16,  0.00,  0.05)
168:     angle   (-20.084,  33.989, -20.477)  (-20.083,  33.989, -20.477)  ( 0.00,  0.00,  0.00)
168:     strbnd  (-11.144,  -1.712,   8.116)  (-11.144,  -1.712,   8.116)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.403,   5.730,  -0.531)  ( -1.403,   5.730,  -0.531)  ( 0.00,  0.00,  0.00)
168:     oop     ( -1.298,  -1.456,  -2.303)  ( -1.102,  -1.410,  -2.002)  (15.09,  3.14, 13.07)
168:     vdw     ( -0.679,  -1.424,   2.000)  ( -0.679,  -1.424,   2.000)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.118,   0.025,   0.007)  ( -0.118,   0.025,   0.007)  ( 0.00,  0.00,  0.00)
168: 29       (  6.269,   4.842,  17.665)  (  6.271,   4.844,  17.666)  ( 0.04,  0.03,  0.00)
168:     bond    ( 13.347,   7.815,   1.928)  ( 13.349,   7.816,   1.928)  ( 0.02,  0.01,  0.01)
168:     angle   ( -3.942,   1.678,  20.486)  ( -3.942,   1.679,  20.487)  ( 0.01,  0.03,  0.00)
168:     strbnd  ( -1.485,  -0.391,  -0.372)  ( -1.485,  -0.391,  -0.372)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.296,   0.484,   0.090)  ( -0.296,   0.484,   0.090)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.355,  -4.745,  -4.467)  ( -1.355,  -4.744,  -4.467)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 30       ( -8.350,   0.131,  25.967)  ( -8.349,   0.134,  25.968)  ( 0.01,  0.04,  0.00)
168:     bond    ( -1.481,  11.557,   2.165)  ( -1.481,  11.560,   2.165)  ( 0.01,  0.03,  0.01)
168:     angle   ( -9.788,  -6.150,  26.139)  ( -9.788,  -6.150,  26.139)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  0.626,  -4.365,  -1.021)  (  0.626,  -4.365,  -1.021)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.782,   0.049,   0.957)  (  1.782,   0.049,   0.957)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.511,  -0.961,  -2.273)  (  0.511,  -0.961,  -2.273)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 31       (-14.899,  11.820,  16.748)  (-14.898,  11.820,  16.750)  ( 0.01,  0.01,  0.01)
168:     bond    (  5.176,  -2.757,  10.225)  (  5.177,  -2.757,  10.227)  ( 0.01,  0.01,  0.02)
168:     angle   (-19.241,  13.946,  13.498)  (-19.241,  13.947,  13.498)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( -2.072,   1.072,  -4.471)  ( -2.072,   1.072,  -4.471)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.541,   0.941,  -0.020)  (  0.541,   0.941,  -0.020)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.698,  -1.382,  -2.484)  (  0.698,  -1.382,  -2.484)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 32       ( -4.993,  10.176,  24.023)  ( -4.991,  10.177,  24.024)  ( 0.05,  0.01,  0.00)
168:     bond    (-10.690,  -3.803,   2.337)  (-10.687,  -3.803,   2.338)  ( 0.02,  0.01,  0.01)
168:     angle   (  0.606,  13.614,  24.917)  (  0.606,  13.614,  24.917)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  3.553,   1.168,  -0.972)  (  3.553,   1.168,  -0.972)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.030,   0.061,  -0.037)  ( -0.030,   0.061,  -0.037)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.567,  -0.863,  -2.222)  (  1.567,  -0.863,  -2.222)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 33       ( 15.026, -20.398, -24.613)  ( 15.025, -20.394, -24.614)  ( 0.01,  0.02,  0.00)
168:     bond    ( -4.753, -12.511,   5.560)  ( -4.753, -12.507,   5.561)  ( 0.01,  0.03,  0.01)
168:     angle   ( 21.861, -17.415, -20.481)  ( 21.860, -17.414, -20.482)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  2.809,   8.054,  -3.331)  (  2.809,   8.054,  -3.331)  ( 0.00,  0.00,  0.00)
168:     torsion ( -6.332,  -0.435,  -6.389)  ( -6.334,  -0.435,  -6.390)  ( 0.02,  0.00,  0.02)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.007,   0.074,  -0.052)  (  0.007,   0.074,  -0.052)  ( 0.00,  0.00,  0.00)
168:     electro (  1.436,   1.834,   0.082)  (  1.436,   1.834,   0.082)  ( 0.00,  0.00,  0.00)
168: ok 30 # gradients 
168: ok 31 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       (  0.503,   0.593,   0.614)  (  0.557,   0.679,   0.432)  ( 2.71,  5.12, 11.17)
168:     bond    (  6.922,   0.175,   2.287)  (  6.926,   0.180,   2.292)  ( 0.06,  0.08,  0.20)
168:     angle   ( -5.931,   2.410,   0.271)  ( -5.930,   2.412,   0.272)  ( 0.03,  0.08,  0.04)
168:     strbnd  (  0.198,   0.872,   0.213)  (  0.197,   0.872,   0.213)  ( 0.01,  0.04,  0.01)
168:     torsion (  0.668,  -0.373,  -2.325)  (  0.668,  -0.373,  -2.325)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.334,  -0.538,   1.283)  ( -0.285,  -0.457,   1.096)  ( 1.63,  4.32, 14.61)
168:     vdw     ( -0.832,  -1.739,  -0.997)  ( -0.832,  -1.739,  -0.997)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.186,  -0.215,  -0.118)  ( -0.186,  -0.215,  -0.118)  ( 0.00,  0.00,  0.00)
168:  2       (  0.433,   1.527,  -2.187)  (  0.299,   1.272,  -1.566)  ( 5.83, 16.72, 28.38)
168:     bond    ( -2.739,   1.957,  -0.129)  ( -2.733,   1.965,  -0.128)  ( 0.24,  0.42,  0.02)
168:     angle   ( 14.443,  -7.136,   1.147)  ( 14.446,  -7.134,   1.148)  ( 0.02,  0.02,  0.06)
168:     strbnd  ( -7.334,   6.670,   1.385)  ( -7.335,   6.668,   1.385)  ( 0.01,  0.03,  0.02)
168:     torsion ( -0.037,   0.168,   0.014)  ( -0.037,   0.168,   0.014)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.865,   1.488,  -3.541)  (  0.722,   1.224,  -2.922)  (12.35, 17.72, 17.47)
168:     vdw     ( -4.625,  -1.230,  -1.537)  ( -4.625,  -1.230,  -1.537)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.140,  -0.389,   0.474)  ( -0.140,  -0.389,   0.474)  ( 0.00,  0.00,  0.00)
168:  3       ( -0.029,  -0.024,   0.069)  ( -0.028,  -0.021,   0.070)  ( 0.00,  0.01,  0.00)
168:     bond    (  0.134,   0.394,  -0.032)  (  0.135,   0.397,  -0.032)  ( 0.00,  0.12,  0.00)
168:     angle   (  1.589,  -0.626,  -1.067)  (  1.590,  -0.626,  -1.067)  ( 0.03,  0.00,  0.04)
168:     strbnd  (  0.319,   0.162,   0.070)  (  0.319,   0.162,   0.070)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.341,   0.212,   1.185)  ( -0.341,   0.212,   1.185)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.730,  -0.167,  -0.086)  ( -1.730,  -0.167,  -0.086)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  4       (  0.009,  -0.000,   0.009)  (  0.010,   0.001,   0.011)  ( 0.00,  0.00,  0.00)
168:     bond    (  0.230,  -0.232,  -0.242)  (  0.231,  -0.231,  -0.241)  ( 0.03,  0.03,  0.03)
168:     angle   (  3.596,   2.214,   1.320)  (  3.596,   2.214,   1.320)  ( 0.01,  0.01,  0.02)
168:     strbnd  (  0.657,  -0.379,  -0.320)  (  0.657,  -0.379,  -0.320)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.004,   0.023,  -0.019)  (  0.004,   0.023,  -0.019)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -4.478,  -1.627,  -0.730)  ( -4.478,  -1.627,  -0.730)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  5       ( -0.022,  -0.019,   0.016)  ( -0.022,  -0.018,   0.019)  ( 0.00,  0.00,  0.01)
168:     bond    (  0.002,  -0.007,   0.018)  (  0.002,  -0.007,   0.021)  ( 0.00,  0.00,  0.01)
168:     angle   (  0.435,  -0.097,  -0.074)  (  0.436,  -0.096,  -0.074)  ( 0.02,  0.00,  0.00)
168:     strbnd  (  0.316,  -0.158,   0.593)  (  0.316,  -0.158,   0.593)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.046,   0.322,   0.110)  ( -0.046,   0.322,   0.110)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.730,  -0.080,  -0.631)  ( -0.730,  -0.080,  -0.631)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  6       ( -1.261, -10.162,  -2.054)  ( -1.171, -10.002,  -2.417)  ( 7.10,  1.58, 17.66)
168:     bond    ( -2.835,   3.345,   0.762)  ( -2.831,   3.350,   0.763)  ( 0.13,  0.16,  0.02)
168:     angle   ( -1.494,  -1.139,  -0.542)  ( -1.493,  -1.138,  -0.541)  ( 0.03,  0.02,  0.01)
168:     strbnd  (  7.239,  -8.454,  -1.930)  (  7.239,  -8.454,  -1.930)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.143,   0.217,  -0.423)  (  0.143,   0.217,  -0.423)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.410,  -0.742,   1.739)  ( -0.325,  -0.588,   1.376)  ( 3.49, 11.48, 20.89)
168:     vdw     ( -4.309,  -6.669,  -2.520)  ( -4.309,  -6.669,  -2.520)  ( 0.00,  0.00,  0.00)
168:     electro (  0.405,   3.280,   0.859)  (  0.405,   3.280,   0.859)  ( 0.00,  0.00,  0.00)
168:  7       (  8.086,  -2.297,   5.227)  (  8.018,  -2.411,   5.470)  ( 0.83,  4.98,  4.67)
168:     bond    ( 17.866,  -2.904,   4.744)  ( 17.871,  -2.899,   4.745)  ( 0.03,  0.18,  0.03)
168:     angle   ( -8.512,  -0.397,  -1.184)  ( -8.510,  -0.396,  -1.183)  ( 0.02,  0.07,  0.06)
168:     strbnd  (  0.437,  -1.121,  -0.832)  (  0.437,  -1.122,  -0.833)  ( 0.02,  0.06,  0.02)
168:     torsion ( -1.343,  -1.618,   4.839)  ( -1.343,  -1.618,   4.840)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.386,   0.773,  -1.451)  (  0.312,   0.652,  -1.209)  ( 2.86,  9.34, 16.66)
168:     vdw     (  1.892,   2.121,   0.955)  (  1.893,   2.121,   0.955)  ( 0.01,  0.00,  0.00)
168:     electro ( -2.641,   0.850,  -1.845)  ( -2.641,   0.850,  -1.845)  ( 0.00,  0.00,  0.00)
168:  8       ( -1.549,   2.804,   0.093)  ( -1.512,   2.887,  -0.063)  ( 2.38,  2.95,  1.44)
168:     bond    ( -1.088,   0.983,   0.272)  ( -1.086,   0.985,   0.272)  ( 0.24,  0.21,  0.00)
168:     angle   ( -1.860,  -1.398,  -2.356)  ( -1.859,  -1.398,  -2.356)  ( 0.02,  0.02,  0.01)
168:     strbnd  ( -0.431,   2.009,   1.109)  ( -0.431,   2.009,   1.109)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.178,   0.549,  -1.277)  (  0.178,   0.549,  -1.277)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.244,  -0.585,   1.144)  ( -0.210,  -0.505,   0.988)  ( 0.82,  4.70, 13.65)
168:     vdw     (  1.404,   2.236,   1.130)  (  1.404,   2.236,   1.130)  ( 0.00,  0.00,  0.00)
168:     electro (  0.492,  -0.990,   0.070)  (  0.492,  -0.990,   0.070)  ( 0.00,  0.00,  0.00)
168:  9       (  2.604,   1.389,   2.014)  (  3.702,   2.430,   2.209)  (42.15, 74.99,  9.68)
168:     bond    ( -7.812,  -8.638,  -5.588)  ( -7.808,  -8.633,  -5.586)  ( 0.05,  0.05,  0.04)
168:     angle   ( 12.778,  11.374,  19.741)  ( 12.780,  11.376,  19.743)  ( 0.02,  0.02,  0.01)
168:     strbnd  (  4.362,   3.842,  -7.340)  (  4.361,   3.842,  -7.341)  ( 0.02,  0.02,  0.01)
168:     torsion ( -1.339,  -2.456,  -4.051)  ( -1.339,  -2.456,  -4.051)  ( 0.00,  0.00,  0.00)
168:     oop     ( -4.513,  -5.190,  -1.298)  ( -3.420,  -4.155,  -1.107)  (24.21, 19.95, 14.74)
168:     vdw     (  0.230,   3.142,   1.240)  (  0.230,   3.143,   1.240)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.103,  -0.686,  -0.690)  ( -1.103,  -0.686,  -0.690)  ( 0.00,  0.00,  0.00)
168: 10       ( -1.066,   5.610,  -2.893)  ( -0.982,   5.420,  -3.059)  ( 7.81,  3.39,  5.71)
168:     bond    ( -0.630,   1.775,  12.572)  ( -0.627,   1.778,  12.577)  ( 0.18,  0.16,  0.04)
168:     angle   (  6.045,   0.014, -16.923)  (  6.048,   0.016, -16.921)  ( 0.04,  0.00,  0.01)
168:     strbnd  ( -7.393,  -1.780,  -1.355)  ( -7.394,  -1.782,  -1.356)  ( 0.01,  0.08,  0.05)
168:     torsion ( -2.978,   1.047,  -0.463)  ( -2.978,   1.047,  -0.463)  ( 0.00,  0.00,  0.00)
168:     oop     (  1.166,   3.054,   2.028)  (  1.244,   2.860,   1.857)  ( 6.76,  6.34,  8.45)
168:     vdw     (  2.417,   3.304,   0.233)  (  2.417,   3.304,   0.233)  ( 0.00,  0.00,  0.00)
168:     electro (  0.307,  -1.802,   1.015)  (  0.307,  -1.802,   1.015)  ( 0.00,  0.00,  0.00)
168: 11       (  1.808,  -9.619,  -1.369)  (  2.211,  -7.418,  -0.964)  (22.27, 22.88, 29.59)
168:     bond    ( 10.742,   6.592,  -1.930)  ( 10.747,   6.594,  -1.926)  ( 0.05,  0.02,  0.18)
168:     angle   ( -4.937, -17.076,   7.817)  ( -4.936, -17.075,   7.819)  ( 0.04,  0.01,  0.03)
168:     strbnd  ( -1.830,  -0.656,   3.895)  ( -1.830,  -0.657,   3.894)  ( 0.03,  0.03,  0.01)
168:     torsion (  5.970,  14.380,  -7.419)  (  5.971,  14.380,  -7.419)  ( 0.00,  0.00,  0.00)
168:     oop     ( -6.219, -17.227,  -5.679)  ( -5.823, -15.030,  -5.279)  ( 6.37, 12.76,  7.04)
168:     vdw     ( -1.251,   1.961,   1.619)  ( -1.251,   1.961,   1.619)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.667,   2.408,   0.327)  ( -0.667,   2.408,   0.327)  ( 0.00,  0.00,  0.00)
168: 12       ( -0.015,  -0.043,  -0.016)  ( -0.014,  -0.042,  -0.013)  ( 0.00,  0.01,  0.00)
168:     bond    ( -0.064,  -0.227,  -0.383)  ( -0.063,  -0.226,  -0.380)  ( 0.00,  0.02,  0.10)
168:     angle   ( -5.122,  -0.874,   1.372)  ( -5.121,  -0.873,   1.372)  ( 0.01,  0.03,  0.01)
168:     strbnd  (  0.712,   0.432,   0.989)  (  0.712,   0.432,   0.989)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.289,  -0.711,   0.374)  (  0.289,  -0.711,   0.374)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.169,   1.337,  -2.368)  (  4.169,   1.337,  -2.368)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 13       (  0.174,  -1.208,  -0.013)  (  0.176,  -1.206,  -0.012)  ( 0.04,  0.16,  0.00)
168:     bond    (  7.080, -17.260,   8.482)  (  7.081, -17.259,   8.482)  ( 0.02,  0.01,  0.00)
168:     angle   ( -5.148,   2.623,  -1.308)  ( -5.148,   2.624,  -1.307)  ( 0.00,  0.03,  0.05)
168:     strbnd  ( -0.387,   6.300,  -1.373)  ( -0.387,   6.299,  -1.373)  ( 0.00,  0.01,  0.00)
168:     torsion (  0.837,   0.450,   0.871)  (  0.837,   0.450,   0.871)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.152,   6.289,  -6.678)  ( -2.152,   6.289,  -6.677)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.055,   0.391,  -0.007)  ( -0.055,   0.391,  -0.007)  ( 0.00,  0.00,  0.00)
168: 14       ( -1.151,   8.695,   3.501)  ( -5.409,   3.347,   2.087)  (369.90, 61.50, 40.40)
168:     bond    (  1.728,   7.650, -26.617)  (  1.731,   7.651, -26.606)  ( 0.18,  0.02,  0.04)
168:     angle   (-12.444,  -3.256,  -6.802)  (-12.443,  -3.255,  -6.800)  ( 0.01,  0.03,  0.03)
168:     strbnd  ( -0.283,  -8.072,  23.375)  ( -0.284,  -8.072,  23.374)  ( 0.01,  0.00,  0.01)
168:     torsion ( -1.208,  -7.791,   2.702)  ( -1.208,  -7.791,   2.702)  ( 0.01,  0.00,  0.00)
168:     oop     ( 16.911,  22.685,   7.558)  ( 12.649,  17.335,   6.131)  (25.21, 23.58, 18.88)
168:     vdw     ( -7.544,  -1.421,   3.983)  ( -7.544,  -1.421,   3.983)  ( 0.00,  0.00,  0.00)
168:     electro (  1.689,  -1.100,  -0.697)  (  1.689,  -1.100,  -0.697)  ( 0.00,  0.00,  0.00)
168: 15       (  0.005,   0.033,  -0.033)  (  0.006,   0.036,  -0.032)  ( 0.00,  0.01,  0.00)
168:     bond    ( -0.124,  -3.231,  -0.971)  ( -0.124,  -3.228,  -0.971)  ( 0.00,  0.10,  0.03)
168:     angle   (  4.975,   0.074,  -0.882)  (  4.976,   0.074,  -0.882)  ( 0.01,  0.00,  0.04)
168:     strbnd  ( -1.156,   1.633,  -0.157)  ( -1.156,   1.633,  -0.157)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.003,  -0.118,   0.391)  ( -0.003,  -0.118,   0.391)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.688,   1.674,   1.586)  ( -3.688,   1.674,   1.586)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 16       ( -7.534,  -3.810,   1.039)  ( -4.877,  -0.640,   2.015)  (35.26, 83.21, 93.87)
168:     bond    ( -4.283,  -2.663,  20.496)  ( -4.282,  -2.663,  20.505)  ( 0.01,  0.00,  0.05)
168:     angle   ( -0.168,   2.881,   0.339)  ( -0.168,   2.882,   0.339)  ( 0.01,  0.01,  0.00)
168:     strbnd  (  4.201,   1.886, -19.314)  (  4.201,   1.886, -19.314)  ( 0.00,  0.01,  0.00)
168:     torsion (  1.537,   3.049,   0.717)  (  1.537,   3.049,   0.717)  ( 0.00,  0.00,  0.00)
168:     oop     ( -7.000,  -8.683,  -2.589)  ( -4.344,  -5.513,  -1.623)  (37.94, 36.51, 37.31)
168:     vdw     ( -3.415,  -0.431,   2.105)  ( -3.415,  -0.431,   2.105)  ( 0.00,  0.00,  0.00)
168:     electro (  1.594,   0.150,  -0.714)  (  1.594,   0.150,  -0.714)  ( 0.00,  0.00,  0.00)
168: 17       ( -0.036,   2.770,  -1.504)  ( -0.031,   2.774,  -1.500)  ( 0.02,  0.15,  0.30)
168:     bond    ( -7.091,   2.130,  -1.977)  ( -7.088,   2.132,  -1.974)  ( 0.05,  0.14,  0.17)
168:     angle   (  4.462,   8.345,  -1.889)  (  4.464,   8.347,  -1.887)  ( 0.04,  0.02,  0.09)
168:     strbnd  (  3.433,  -7.634,   3.029)  (  3.432,  -7.635,   3.028)  ( 0.02,  0.01,  0.02)
168:     torsion ( -1.295,  -0.201,  -0.359)  ( -1.295,  -0.201,  -0.359)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.436,   1.064,  -0.784)  (  0.436,   1.064,  -0.784)  ( 0.00,  0.00,  0.00)
168:     electro (  0.019,  -0.933,   0.477)  (  0.019,  -0.933,   0.477)  ( 0.00,  0.00,  0.00)
168: 18       (  4.892,  -0.985,   0.285)  (  5.287,  -1.716,  -0.060)  ( 8.09, 71.97,  9.84)
168:     bond    (  2.690,  -5.259,  -9.175)  (  2.694,  -5.255,  -9.171)  ( 0.14,  0.07,  0.05)
168:     angle   (  0.459,   8.749,   5.203)  (  0.461,   8.751,   5.206)  ( 0.09,  0.02,  0.04)
168:     strbnd  (  3.654,  -2.284,  -2.072)  (  3.653,  -2.285,  -2.073)  ( 0.03,  0.02,  0.02)
168:     torsion (  2.026,  -5.810,   3.568)  (  2.026,  -5.810,   3.568)  ( 0.00,  0.00,  0.00)
168:     oop     ( -2.189,   4.693,   2.103)  ( -1.798,   3.957,   1.752)  (17.86, 15.67, 16.70)
168:     vdw     (  0.057,  -1.642,   0.671)  (  0.057,  -1.642,   0.671)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.806,   0.567,  -0.013)  ( -1.806,   0.567,  -0.013)  ( 0.00,  0.00,  0.00)
168: 19       (  0.014,  -0.054,   0.035)  (  0.020,  -0.048,   0.040)  ( 0.01,  0.03,  0.02)
168:     bond    ( -4.572,   7.582,   9.251)  ( -4.568,   7.586,   9.256)  ( 0.10,  0.06,  0.05)
168:     angle   (  4.311, -10.172,  -3.123)  (  4.312, -10.170,  -3.121)  ( 0.04,  0.02,  0.06)
168:     strbnd  ( -2.161,   2.017,   1.879)  ( -2.161,   2.016,   1.878)  ( 0.02,  0.03,  0.04)
168:     torsion ( -0.707,  -0.056,  -0.329)  ( -0.707,  -0.056,  -0.328)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.144,   0.575,  -7.644)  (  3.144,   0.575,  -7.644)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 20       (  0.055,   0.023,  -0.083)  (  0.061,   0.028,  -0.077)  ( 0.03,  0.01,  0.05)
168:     bond    ( -7.858,  -5.077,  -5.109)  ( -7.854,  -5.072,  -5.105)  ( 0.05,  0.09,  0.09)
168:     angle   (  6.358,   2.036,   6.266)  (  6.360,   2.038,   6.268)  ( 0.03,  0.09,  0.03)
168:     strbnd  ( -2.171,  -0.422,  -1.231)  ( -2.172,  -0.423,  -1.232)  ( 0.04,  0.02,  0.05)
168:     torsion (  0.971,  -0.883,  -0.568)  (  0.971,  -0.883,  -0.568)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.756,   4.369,   0.559)  (  2.756,   4.369,   0.559)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 21       (  0.488,   0.737,  -2.713)  ( -0.474,   0.559,  -1.918)  (46.96, 13.13, 29.31)
168:     bond    ( -7.303,  18.452,  -4.755)  ( -7.301,  18.461,  -4.751)  ( 0.03,  0.05,  0.10)
168:     angle   ( 11.493, -17.158,   1.980)  ( 11.494, -17.156,   1.981)  ( 0.01,  0.01,  0.07)
168:     strbnd  ( -4.739,   3.053,  -5.420)  ( -4.739,   3.052,  -5.421)  ( 0.01,  0.04,  0.02)
168:     torsion ( -1.507,   0.152,   2.650)  ( -1.507,   0.152,   2.650)  ( 0.01,  0.00,  0.00)
168:     oop     (  5.247,   1.013,  -4.389)  (  4.282,   0.825,  -3.599)  (18.39, 18.57, 18.00)
168:     vdw     ( -2.898,  -4.553,   6.605)  ( -2.898,  -4.553,   6.605)  ( 0.00,  0.00,  0.00)
168:     electro (  0.195,  -0.222,   0.617)  (  0.195,  -0.222,   0.617)  ( 0.00,  0.00,  0.00)
168: 22       (  0.011,   0.068,   0.026)  (  0.012,   0.070,   0.029)  ( 0.00,  0.01,  0.01)
168:     bond    (  0.328,  -2.247,  -3.859)  (  0.328,  -2.246,  -3.857)  ( 0.00,  0.04,  0.06)
168:     angle   ( -0.121,   1.446,  -0.853)  ( -0.120,   1.446,  -0.853)  ( 0.01,  0.03,  0.01)
168:     strbnd  (  0.002,   0.481,   0.353)  (  0.002,   0.481,   0.353)  ( 0.00,  0.00,  0.00)
168:     torsion ( -2.329,  -0.221,  -0.069)  ( -2.329,  -0.221,  -0.069)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.131,   0.609,   4.454)  (  2.131,   0.609,   4.454)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 23       ( -3.234,   0.160,   0.213)  ( -3.041,   0.205,   0.050)  ( 5.98,  0.73,  3.48)
168:     bond    (  2.346,  -0.713,   2.597)  (  2.348,  -0.708,   2.600)  ( 0.09,  0.35,  0.10)
168:     angle   ( -9.647,   2.693,  -9.181)  ( -9.647,   2.694,  -9.181)  ( 0.00,  0.05,  0.00)
168:     strbnd  (  2.977,   2.363,   3.838)  (  2.977,   2.363,   3.837)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.013,   0.016,  -0.011)  (  0.013,   0.016,  -0.011)  ( 0.00,  0.00,  0.00)
168:     oop     ( -1.579,  -0.309,   1.374)  ( -1.388,  -0.270,   1.208)  (12.09,  1.23, 12.08)
168:     vdw     (  1.642,  -3.834,   1.605)  (  1.642,  -3.834,   1.605)  ( 0.00,  0.00,  0.00)
168:     electro (  1.014,  -0.057,  -0.008)  (  1.014,  -0.057,  -0.008)  ( 0.00,  0.00,  0.00)
168: 24       (  0.004,   0.003,  -0.053)  (  0.005,   0.004,  -0.052)  ( 0.00,  0.00,  0.01)
168:     bond    ( -1.196,   1.182,  -0.827)  ( -1.194,   1.183,  -0.827)  ( 0.12,  0.11,  0.05)
168:     angle   ( -1.332,  -1.852,  -0.728)  ( -1.331,  -1.852,  -0.727)  ( 0.02,  0.02,  0.03)
168:     strbnd  (  0.241,  -1.027,   0.189)  (  0.241,  -1.026,   0.189)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.038,   0.002,   0.057)  ( -0.038,   0.002,   0.057)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.329,   1.697,   1.256)  (  2.329,   1.697,   1.256)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 25       ( -0.012,  -0.040,  -0.043)  ( -0.010,  -0.039,  -0.041)  ( 0.00,  0.01,  0.01)
168:     bond    ( -1.200,  -1.265,   1.435)  ( -1.199,  -1.264,   1.436)  ( 0.08,  0.08,  0.10)
168:     angle   ( -2.311,  -0.524,  -2.391)  ( -2.311,  -0.524,  -2.391)  ( 0.01,  0.02,  0.01)
168:     strbnd  ( -0.046,   0.131,  -0.817)  ( -0.046,   0.131,  -0.817)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.070,  -0.086,  -0.017)  (  0.070,  -0.086,  -0.017)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.476,   1.704,   1.748)  (  3.476,   1.704,   1.748)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 26       (  0.017,   0.031,  -0.062)  (  0.018,   0.032,  -0.060)  ( 0.00,  0.00,  0.01)
168:     bond    (  0.799,  -1.340,  -1.580)  (  0.799,  -1.338,  -1.578)  ( 0.04,  0.09,  0.11)
168:     angle   ( -3.338,  -0.613,  -1.171)  ( -3.337,  -0.613,  -1.171)  ( 0.01,  0.02,  0.02)
168:     strbnd  ( -0.745,   0.134,   0.227)  ( -0.745,   0.134,   0.227)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.007,  -0.067,   0.060)  (  0.007,  -0.067,   0.060)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.293,   1.916,   2.401)  (  3.293,   1.916,   2.401)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 27       ( -0.029,  -0.013,  -0.016)  ( -0.027,  -0.011,  -0.015)  ( 0.01,  0.00,  0.00)
168:     bond    ( -1.391,   1.340,  -0.747)  ( -1.389,   1.342,  -0.747)  ( 0.11,  0.11,  0.03)
168:     angle   ( -1.015,   0.530,   2.839)  ( -1.015,   0.530,   2.840)  ( 0.02,  0.01,  0.02)
168:     strbnd  (  0.553,  -0.368,   1.021)  (  0.553,  -0.368,   1.021)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.250,  -0.232,   0.047)  ( -0.250,  -0.232,   0.047)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.074,  -1.282,  -3.176)  (  2.074,  -1.282,  -3.176)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 28       ( -0.034,  -0.055,  -0.010)  ( -0.032,  -0.053,  -0.008)  ( 0.01,  0.01,  0.00)
168:     bond    (  1.317,   0.998,   0.899)  (  1.318,   0.999,   0.900)  ( 0.13,  0.10,  0.07)
168:     angle   ( -2.910,   1.945,   2.102)  ( -2.910,   1.946,   2.102)  ( 0.01,  0.02,  0.02)
168:     strbnd  ( -0.799,   0.069,   0.229)  ( -0.799,   0.069,   0.229)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.012,   0.069,  -0.059)  ( -0.012,   0.069,  -0.059)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.371,  -3.136,  -3.182)  (  2.371,  -3.135,  -3.182)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 29       ( -0.014,  -0.055,  -0.036)  ( -0.012,  -0.054,  -0.034)  ( 0.00,  0.01,  0.01)
168:     bond    ( -1.198,  -1.403,   1.700)  ( -1.197,  -1.402,   1.701)  ( 0.06,  0.08,  0.09)
168:     angle   ( -1.824,   2.897,   1.105)  ( -1.823,   2.897,   1.105)  ( 0.02,  0.01,  0.02)
168:     strbnd  (  0.202,   1.021,  -0.133)  (  0.202,   1.021,  -0.133)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.274,  -0.031,   0.167)  (  0.274,  -0.031,   0.167)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.531,  -2.539,  -2.875)  (  2.532,  -2.539,  -2.875)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 30       (  7.205,   2.240,   7.247)  (  7.205,   2.245,   7.247)  ( 0.01,  0.22,  0.01)
168:     bond    ( -0.177,   0.738,  -0.096)  ( -0.177,   0.743,  -0.096)  ( 0.01,  0.36,  0.00)
168:     angle   (  8.417,   3.317,  10.163)  (  8.417,   3.317,  10.163)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  0.382,  -1.272,   0.256)  (  0.382,  -1.272,   0.256)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.882,   0.111,  -0.766)  (  0.882,   0.111,  -0.766)  ( 0.01,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.106,   0.075,   0.091)  (  0.106,   0.075,   0.091)  ( 0.00,  0.00,  0.00)
168:     electro ( -2.405,  -0.728,  -2.400)  ( -2.405,  -0.728,  -2.400)  ( 0.00,  0.00,  0.00)
168: 31       (-10.418,   1.586,  -7.406)  ( -9.943,   1.689,  -7.787)  ( 4.56,  6.45,  5.14)
168:     bond    ( -0.691,  -2.922,  -1.578)  ( -0.691,  -2.915,  -1.576)  ( 0.03,  0.24,  0.13)
168:     angle   (-11.279,   8.740, -11.218)  (-11.279,   8.740, -11.218)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( -0.400,   0.562,  -0.346)  ( -0.400,   0.562,  -0.346)  ( 0.00,  0.01,  0.00)
168:     torsion ( -0.438,  -0.113,   0.402)  ( -0.438,  -0.113,   0.402)  ( 0.00,  0.00,  0.00)
168:     oop     ( -2.089,  -0.433,   1.715)  ( -1.615,  -0.338,   1.332)  (22.71,  4.11, 22.34)
168:     vdw     (  1.193,  -3.724,   0.966)  (  1.193,  -3.724,   0.966)  ( 0.00,  0.00,  0.00)
168:     electro (  3.286,  -0.524,   2.653)  (  3.286,  -0.524,   2.653)  ( 0.00,  0.00,  0.00)
168: ok 32 # gradients 
168: ok 33 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       (  0.511,  -0.096,  -0.005)  (  0.520,  -0.092,   0.001)  ( 0.45,  0.03,  0.00)
168:     bond    (  9.838,  -1.834,   0.007)  (  9.844,  -1.832,   0.011)  ( 0.07,  0.10,  0.00)
168:     angle   (  6.646,  -1.255,  -0.018)  (  6.648,  -1.254,  -0.017)  ( 0.03,  0.05,  0.00)
168:     strbnd  ( -3.095,   0.579,   0.001)  ( -3.095,   0.579,   0.001)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.001,   0.001,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     (-12.705,   2.379,   0.009)  (-12.705,   2.379,   0.009)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.173,   0.032,   0.000)  ( -0.173,   0.032,   0.000)  ( 0.00,  0.00,  0.00)
168:  2       ( -0.075,   0.318,   0.474)  ( -0.066,   0.334,   0.472)  ( 0.07,  0.52,  0.08)
168:     bond    ( 15.243,  -7.110,  -6.312)  ( 15.248,  -7.108,  -6.308)  ( 0.04,  0.03,  0.07)
168:     angle   ( -4.881,  -0.262,  -1.754)  ( -4.879,  -0.261,  -1.753)  ( 0.04,  0.02,  0.09)
168:     strbnd  ( -1.609,   1.725,   2.154)  ( -1.609,   1.725,   2.154)  ( 0.01,  0.00,  0.01)
168:     torsion (  0.015,   0.078,  -0.054)  (  0.015,   0.079,  -0.054)  ( 0.00,  0.01,  0.00)
168:     oop     ( -0.015,  -0.078,   0.052)  ( -0.012,  -0.066,   0.044)  ( 0.00,  0.10,  0.04)
168:     vdw     ( -8.822,   6.095,   6.582)  ( -8.822,   6.095,   6.582)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.006,  -0.130,  -0.194)  ( -0.006,  -0.130,  -0.194)  ( 0.00,  0.00,  0.00)
168:  3       ( -0.080,   0.261,   0.300)  ( -0.079,   0.234,   0.325)  ( 0.01,  0.70,  0.76)
168:     bond    (  0.609,  -8.879, -13.408)  (  0.614,  -8.877, -13.405)  ( 0.30,  0.02,  0.03)
168:     angle   ( -7.772,   3.135,   2.969)  ( -7.770,   3.136,   2.970)  ( 0.02,  0.03,  0.05)
168:     strbnd  (  2.453,  -0.620,  -0.234)  (  2.453,  -0.620,  -0.235)  ( 0.01,  0.01,  0.01)
168:     torsion ( -0.243,   0.162,   0.098)  ( -0.243,   0.163,   0.098)  ( 0.00,  0.01,  0.00)
168:     oop     (  0.034,   0.181,  -0.121)  (  0.028,   0.151,  -0.101)  ( 0.02,  0.55,  0.25)
168:     vdw     (  4.751,   6.373,  11.116)  (  4.751,   6.373,  11.116)  ( 0.00,  0.00,  0.00)
168:     electro (  0.088,  -0.091,  -0.119)  (  0.088,  -0.091,  -0.119)  ( 0.00,  0.00,  0.00)
168:  4       ( -0.195,   0.032,   0.015)  ( -0.188,   0.037,   0.020)  ( 0.13,  0.02,  0.01)
168:     bond    ( -7.919,   1.496,   0.029)  ( -7.915,   1.498,   0.032)  ( 0.06,  0.11,  0.01)
168:     angle   (  7.321,  -1.377,  -0.013)  (  7.323,  -1.376,  -0.012)  ( 0.03,  0.07,  0.00)
168:     strbnd  ( -7.154,   1.339,   0.000)  ( -7.155,   1.339,   0.000)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.002,  -0.005,   0.001)  ( -0.002,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.001,  -0.007,   0.004)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
168:     vdw     (  7.561,  -1.415,  -0.006)  (  7.562,  -1.415,  -0.006)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  5       ( -0.246,  -0.217,  -0.384)  ( -0.235,  -0.186,  -0.397)  ( 0.29,  0.67,  0.50)
168:     bond    (  3.740,   8.034,  13.340)  (  3.745,   8.036,  13.343)  ( 0.13,  0.02,  0.03)
168:     angle   ( -8.410,  -0.116,  -2.962)  ( -8.408,  -0.115,  -2.960)  ( 0.02,  0.01,  0.05)
168:     strbnd  (  2.516,  -0.308,   0.233)  (  2.515,  -0.309,   0.233)  ( 0.01,  0.00,  0.01)
168:     torsion ( -0.284,  -0.056,  -0.104)  ( -0.284,  -0.055,  -0.103)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.031,  -0.165,   0.109)  ( -0.025,  -0.137,   0.091)  ( 0.02,  0.46,  0.20)
168:     vdw     (  2.108,  -7.659, -11.120)  (  2.108,  -7.659, -11.120)  ( 0.00,  0.00,  0.00)
168:     electro (  0.115,   0.053,   0.119)  (  0.115,   0.053,   0.119)  ( 0.00,  0.00,  0.00)
168:  6       ( -0.141,  -0.330,  -0.527)  ( -0.136,  -0.337,  -0.513)  ( 0.08,  0.25,  0.74)
168:     bond    ( 16.822,   1.066,   6.232)  ( 16.827,   1.068,   6.236)  ( 0.03,  0.19,  0.07)
168:     angle   ( -4.438,   2.007,   1.762)  ( -4.436,   2.007,   1.763)  ( 0.05,  0.03,  0.09)
168:     strbnd  ( -2.127,  -1.024,  -2.150)  ( -2.127,  -1.024,  -2.150)  ( 0.01,  0.00,  0.01)
168:     torsion ( -0.016,  -0.084,   0.056)  ( -0.016,  -0.083,   0.056)  ( 0.00,  0.01,  0.00)
168:     oop     (  0.013,   0.071,  -0.048)  (  0.011,   0.060,  -0.040)  ( 0.00,  0.08,  0.04)
168:     vdw     (-10.436,  -2.488,  -6.572)  (-10.436,  -2.488,  -6.572)  ( 0.00,  0.00,  0.00)
168:     electro (  0.041,   0.123,   0.194)  (  0.041,   0.123,   0.194)  ( 0.00,  0.00,  0.00)
168:  7       (  0.083,   0.029,  -0.027)  (  0.090,   0.034,  -0.024)  ( 0.06,  0.02,  0.01)
168:     bond    ( -5.715,   1.120,  -0.030)  ( -5.710,   1.124,  -0.028)  ( 0.08,  0.35,  0.00)
168:     angle   ( -3.925,   0.733,   0.006)  ( -3.923,   0.734,   0.007)  ( 0.05,  0.10,  0.00)
168:     strbnd  ( 10.212,  -1.917,  -0.002)  ( 10.212,  -1.917,  -0.002)  ( 0.00,  0.01,  0.00)
168:     torsion ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.489,   0.094,  -0.002)  ( -0.488,   0.094,  -0.002)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:  8       ( -0.108,   1.157,  -0.705)  ( -0.101,   1.163,  -0.702)  ( 0.08,  0.53,  0.24)
168:     bond    ( -3.483, -12.638,   7.907)  ( -3.478, -12.633,   7.908)  ( 0.16,  0.03,  0.02)
168:     angle   (  3.798,   0.832,  -0.921)  (  3.800,   0.834,  -0.921)  ( 0.04,  0.11,  0.04)
168:     strbnd  (  1.060,  -1.300,   0.656)  (  1.060,  -1.300,   0.656)  ( 0.02,  0.01,  0.00)
168:     torsion (  0.019,   0.099,   0.166)  (  0.019,   0.099,   0.167)  ( 0.00,  0.00,  0.02)
168:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.505,  14.542,  -8.739)  ( -1.505,  14.542,  -8.739)  ( 0.01,  0.00,  0.00)
168:     electro (  0.004,  -0.378,   0.228)  (  0.004,  -0.378,   0.228)  ( 0.00,  0.00,  0.00)
168:  9       (  0.009,  -0.348,   0.187)  (  0.016,  -0.342,   0.191)  ( 0.01,  0.21,  0.07)
168:     bond    ( -2.492,  -7.482,   4.725)  ( -2.486,  -7.478,   4.727)  ( 0.23,  0.05,  0.03)
168:     angle   ( -4.105,  -3.933,   2.798)  ( -4.103,  -3.931,   2.798)  ( 0.04,  0.03,  0.02)
168:     strbnd  ( -4.222,   0.031,   0.453)  ( -4.222,   0.031,   0.453)  ( 0.01,  0.00,  0.00)
168:     torsion ( -0.000,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 10.835,  10.954,  -7.728)  ( 10.835,  10.954,  -7.728)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.006,   0.087,  -0.052)  ( -0.006,   0.087,  -0.052)  ( 0.00,  0.00,  0.00)
168: 10       (  2.631,  -0.498,   0.003)  (  2.635,  -0.493,   0.006)  ( 0.16,  0.24,  0.00)
168:     bond    (-13.181,   2.472,   0.003)  (-13.178,   2.476,   0.004)  ( 0.02,  0.16,  0.00)
168:     angle   (  8.282,  -1.555,  -0.003)  (  8.284,  -1.555,  -0.003)  ( 0.02,  0.02,  0.00)
168:     strbnd  (  0.147,  -0.037,   0.005)  (  0.147,  -0.037,   0.006)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     (  8.264,  -1.546,  -0.006)  (  8.265,  -1.546,  -0.006)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.883,   0.165,   0.001)  ( -0.883,   0.165,   0.001)  ( 0.00,  0.00,  0.00)
168: 11       (  0.028,   0.306,  -0.205)  (  0.035,   0.312,  -0.201)  ( 0.02,  0.19,  0.08)
168:     bond    (  0.276,   7.851,  -4.706)  (  0.282,   7.855,  -4.705)  ( 0.16,  0.05,  0.03)
168:     angle   ( -2.425,   5.161,  -2.800)  ( -2.424,   5.163,  -2.800)  ( 0.07,  0.03,  0.02)
168:     strbnd  ( -3.937,   1.510,  -0.456)  ( -3.938,   1.510,  -0.456)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
168:     vdw     (  6.153, -14.132,   7.716)  (  6.153, -14.132,   7.716)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.037,  -0.079,   0.052)  ( -0.037,  -0.079,   0.052)  ( 0.00,  0.00,  0.00)
168: 12       ( -0.373,  -1.134,   0.744)  ( -0.366,  -1.129,   0.747)  ( 0.27,  0.47,  0.19)
168:     bond    (  1.440,  12.965,  -7.881)  (  1.446,  12.969,  -7.880)  ( 0.38,  0.03,  0.02)
168:     angle   (  3.262,  -2.172,   0.925)  (  3.264,  -2.171,   0.925)  ( 0.05,  0.06,  0.04)
168:     strbnd  (  1.447,   0.834,  -0.660)  (  1.447,   0.834,  -0.660)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.018,  -0.096,  -0.161)  ( -0.018,  -0.095,  -0.160)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -6.645, -13.018,   8.747)  ( -6.645, -13.018,   8.747)  ( 0.00,  0.00,  0.00)
168:     electro (  0.140,   0.351,  -0.228)  (  0.140,   0.351,  -0.228)  ( 0.00,  0.00,  0.00)
168: 13       ( -0.263,  -0.228,   0.157)  ( -0.261,  -0.226,   0.159)  ( 0.05,  0.05,  0.02)
168:     bond    (  0.532,   0.585,  -0.410)  (  0.533,   0.587,  -0.409)  ( 0.07,  0.10,  0.03)
168:     angle   ( -1.375,   0.959,  -0.417)  ( -1.375,   0.959,  -0.417)  ( 0.03,  0.02,  0.00)
168:     strbnd  ( -0.291,   0.302,  -0.147)  ( -0.291,   0.302,  -0.147)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.002,  -0.013,  -0.021)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.001,  -0.001)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.782,  -2.146,   1.210)  (  0.782,  -2.146,   1.210)  ( 0.00,  0.00,  0.00)
168:     electro (  0.092,   0.086,  -0.056)  (  0.092,   0.086,  -0.056)  ( 0.00,  0.00,  0.00)
168: 14       ( -0.602,   0.636,  -0.300)  ( -0.601,   0.639,  -0.299)  ( 0.08,  0.16,  0.03)
168:     bond    ( -0.713,   1.410,  -0.761)  ( -0.713,   1.412,  -0.760)  ( 0.04,  0.17,  0.05)
168:     angle   ( -1.054,  -0.355,   0.329)  ( -1.053,  -0.355,   0.329)  ( 0.06,  0.00,  0.00)
168:     strbnd  (  0.385,   0.200,  -0.162)  (  0.385,   0.200,  -0.162)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.001,   0.005,   0.009)  (  0.001,   0.006,   0.009)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.575,  -0.404,   0.175)  (  0.575,  -0.404,   0.175)  ( 0.00,  0.00,  0.00)
168:     electro (  0.205,  -0.220,   0.109)  (  0.205,  -0.220,   0.109)  ( 0.00,  0.00,  0.00)
168: 15       (  0.332,  -0.118,  -0.060)  (  0.339,  -0.102,  -0.061)  ( 0.25,  0.18,  0.01)
168:     bond    ( -7.125,  -4.896,  -9.263)  ( -7.121,  -4.892,  -9.259)  ( 0.06,  0.09,  0.05)
168:     angle   (  6.393,   2.270,   5.666)  (  6.394,   2.272,   5.667)  ( 0.03,  0.07,  0.03)
168:     strbnd  (  0.273,  -0.725,  -1.181)  (  0.272,  -0.726,  -1.182)  ( 0.02,  0.04,  0.08)
168:     torsion (  1.289,  -0.354,  -0.774)  (  1.289,  -0.353,  -0.774)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.010,  -0.056,   0.038)  ( -0.009,  -0.047,   0.031)  ( 0.00,  0.05,  0.02)
168:     vdw     ( -0.361,   3.610,   5.432)  ( -0.361,   3.610,   5.432)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.126,   0.033,   0.024)  ( -0.126,   0.033,   0.024)  ( 0.00,  0.00,  0.00)
168: 16       (  1.094,  -0.202,   0.008)  (  1.098,  -0.201,   0.009)  ( 0.42,  0.01,  0.00)
168:     bond    ( -1.105,   0.206,   0.001)  ( -1.100,   0.206,   0.001)  ( 0.41,  0.00,  0.00)
168:     angle   (  0.001,   0.005,   0.007)  (  0.001,   0.005,   0.007)  ( 0.00,  0.00,  0.00)
168:     strbnd  (  3.048,  -0.570,  -0.001)  (  3.048,  -0.570,  -0.001)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.498,   0.093,   0.000)  ( -0.498,   0.093,   0.001)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.353,   0.066,   0.000)  ( -0.353,   0.066,   0.000)  ( 0.00,  0.00,  0.00)
168: 17       ( -1.177,  -0.211,  -0.630)  ( -1.176,  -0.211,  -0.627)  ( 0.12,  0.01,  0.21)
168:     bond    ( -0.132,   0.174,   0.223)  ( -0.131,   0.175,   0.225)  ( 0.01,  0.03,  0.05)
168:     angle   (  1.479,   0.192,   0.711)  (  1.480,   0.192,   0.711)  ( 0.05,  0.00,  0.01)
168:     strbnd  (  1.315,  -1.062,  -1.217)  (  1.315,  -1.062,  -1.217)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.011,  -0.057,   0.038)  ( -0.011,  -0.057,   0.038)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.001,   0.006,  -0.004)  (  0.001,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -4.211,   0.450,  -0.614)  ( -4.210,   0.450,  -0.614)  ( 0.00,  0.00,  0.00)
168:     electro (  0.380,   0.086,   0.234)  (  0.380,   0.086,   0.234)  ( 0.00,  0.00,  0.00)
168: 18       (  0.347,  -0.021,   0.119)  (  0.351,  -0.024,   0.130)  ( 0.15,  0.01,  0.13)
168:     bond    ( -4.885,   7.159,   9.319)  ( -4.880,   7.163,   9.323)  ( 0.09,  0.06,  0.05)
168:     angle   (  5.152,  -4.463,  -5.651)  (  5.154,  -4.462,  -5.649)  ( 0.04,  0.03,  0.03)
168:     strbnd  (  0.516,   0.583,   1.171)  (  0.515,   0.582,   1.170)  ( 0.03,  0.04,  0.08)
168:     torsion (  1.334,  -0.130,   0.768)  (  1.334,  -0.130,   0.768)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.010,   0.051,  -0.034)  (  0.008,   0.042,  -0.028)  ( 0.00,  0.04,  0.02)
168:     vdw     ( -1.650,  -3.234,  -5.431)  ( -1.650,  -3.234,  -5.431)  ( 0.01,  0.00,  0.00)
168:     electro ( -0.129,   0.014,  -0.024)  ( -0.129,   0.014,  -0.024)  ( 0.00,  0.00,  0.00)
168: 19       ( -0.995,   0.639,   0.659)  ( -0.993,   0.641,   0.661)  ( 0.24,  0.13,  0.13)
168:     bond    ( -0.161,  -0.100,  -0.195)  ( -0.159,  -0.099,  -0.193)  ( 0.03,  0.01,  0.05)
168:     angle   (  1.304,  -0.712,  -0.711)  (  1.305,  -0.712,  -0.711)  ( 0.04,  0.01,  0.01)
168:     strbnd  (  1.615,   0.513,   1.214)  (  1.615,   0.513,   1.214)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.011,   0.057,  -0.038)  (  0.011,   0.058,  -0.038)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.001,  -0.006,   0.004)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -4.086,   1.106,   0.619)  ( -4.086,   1.106,   0.619)  ( 0.00,  0.00,  0.00)
168:     electro (  0.323,  -0.218,  -0.234)  (  0.323,  -0.218,  -0.234)  ( 0.00,  0.00,  0.00)
168: 20       ( -0.147,   0.296,  -0.160)  ( -0.146,   0.299,  -0.159)  ( 0.02,  0.08,  0.01)
168:     bond    (  0.288,  -0.750,   0.412)  (  0.289,  -0.747,   0.413)  ( 0.01,  0.20,  0.03)
168:     angle   ( -1.609,  -0.393,   0.414)  ( -1.608,  -0.393,   0.414)  ( 0.04,  0.00,  0.00)
168:     strbnd  ( -0.388,  -0.178,   0.149)  ( -0.388,  -0.178,   0.149)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.002,   0.011,   0.019)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.503,   1.719,  -1.212)  (  1.503,   1.719,  -1.212)  ( 0.00,  0.00,  0.00)
168:     electro (  0.055,  -0.113,   0.056)  (  0.055,  -0.113,   0.056)  ( 0.00,  0.00,  0.00)
168: 21       ( -0.773,  -0.355,   0.288)  ( -0.771,  -0.353,   0.289)  ( 0.16,  0.06,  0.02)
168:     bond    ( -1.156,  -1.042,   0.748)  ( -1.154,  -1.041,   0.749)  ( 0.15,  0.13,  0.05)
168:     angle   ( -0.862,   0.717,  -0.330)  ( -0.861,   0.717,  -0.330)  ( 0.04,  0.02,  0.00)
168:     strbnd  (  0.292,  -0.327,   0.162)  (  0.292,  -0.327,   0.162)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.007)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.682,   0.169,  -0.176)  (  0.682,   0.169,  -0.176)  ( 0.00,  0.00,  0.00)
168:     electro (  0.271,   0.131,  -0.109)  (  0.271,   0.131,  -0.109)  ( 0.00,  0.00,  0.00)
168: 22       ( -0.002,  -0.011,   0.010)  ( -0.001,  -0.009,   0.011)  ( 0.00,  0.00,  0.00)
168:     bond    ( -0.526,   0.784,  -0.542)  ( -0.525,   0.786,  -0.541)  ( 0.04,  0.14,  0.05)
168:     angle   (  1.195,  -1.233,  -2.949)  (  1.195,  -1.233,  -2.949)  ( 0.03,  0.02,  0.01)
168:     strbnd  ( -0.255,  -0.588,  -0.393)  ( -0.255,  -0.588,  -0.393)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.565,  -0.064,   0.455)  ( -0.565,  -0.064,   0.455)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.149,   1.091,   3.440)  (  0.149,   1.091,   3.440)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 23       ( -0.002,  -0.011,   0.000)  ( -0.001,  -0.010,   0.001)  ( 0.00,  0.00,  0.00)
168:     bond    ( -0.710,  -0.703,   0.394)  ( -0.709,  -0.701,   0.395)  ( 0.11,  0.10,  0.02)
168:     angle   (  0.978,  -1.990,  -1.779)  (  0.979,  -1.990,  -1.778)  ( 0.03,  0.01,  0.03)
168:     strbnd  ( -0.228,  -0.099,  -0.703)  ( -0.228,  -0.099,  -0.703)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.442,   0.487,   0.072)  ( -0.442,   0.487,   0.072)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.399,   2.293,   2.016)  (  0.399,   2.293,   2.016)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 24       (  0.016,   0.004,  -0.000)  (  0.017,   0.005,   0.001)  ( 0.00,  0.00,  0.00)
168:     bond    (  0.712,  -0.619,  -0.845)  (  0.713,  -0.618,  -0.844)  ( 0.08,  0.05,  0.13)
168:     angle   ( -4.410,  -0.925,  -3.048)  ( -4.410,  -0.925,  -3.048)  ( 0.01,  0.03,  0.01)
168:     strbnd  ( -0.899,   0.082,  -0.052)  ( -0.899,   0.082,  -0.052)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.011,  -0.086,   0.054)  ( -0.011,  -0.086,   0.054)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.624,   1.552,   3.891)  (  4.624,   1.552,   3.891)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 25       (  0.015,   0.029,  -0.030)  (  0.017,   0.030,  -0.029)  ( 0.00,  0.00,  0.00)
168:     bond    ( -0.752,  -0.529,   0.528)  ( -0.750,  -0.529,   0.529)  ( 0.13,  0.05,  0.04)
168:     angle   (  1.555,   0.717,   2.924)  (  1.555,   0.718,   2.924)  ( 0.02,  0.03,  0.01)
168:     strbnd  ( -0.027,   0.641,   0.396)  ( -0.027,   0.641,   0.396)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.505,   0.263,  -0.453)  ( -0.505,   0.263,  -0.453)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.257,  -1.063,  -3.425)  ( -0.257,  -1.063,  -3.425)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 26       ( -0.016,  -0.001,  -0.020)  ( -0.014,  -0.000,  -0.018)  ( 0.00,  0.00,  0.00)
168:     bond    (  0.867,   0.313,   0.819)  (  0.869,   0.313,   0.821)  ( 0.15,  0.01,  0.12)
168:     angle   ( -3.775,   2.481,   3.047)  ( -3.775,   2.482,   3.047)  ( 0.01,  0.02,  0.01)
168:     strbnd  ( -0.869,   0.249,   0.057)  ( -0.869,   0.249,   0.057)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.019,   0.079,  -0.051)  (  0.019,   0.079,  -0.051)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.742,  -3.123,  -3.893)  (  3.742,  -3.123,  -3.893)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 27       (  0.012,  -0.017,   0.007)  (  0.013,  -0.015,   0.008)  ( 0.00,  0.00,  0.00)
168:     bond    ( -0.401,   0.886,  -0.386)  ( -0.401,   0.889,  -0.385)  ( 0.02,  0.22,  0.02)
168:     angle   (  1.642,   1.513,   1.782)  (  1.642,   1.513,   1.783)  ( 0.02,  0.01,  0.03)
168:     strbnd  ( -0.174,   0.171,   0.708)  ( -0.174,   0.170,   0.708)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.590,  -0.296,  -0.070)  ( -0.590,  -0.296,  -0.070)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.465,  -2.291,  -2.028)  ( -0.465,  -2.291,  -2.028)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: ok 34 # gradients 
168: ok 35 # energy 
168: ----------------------------------------------------------------------------------------
168:                                                                                         
168:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
168:                                                                                         
168:                                                                                         
168: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
168: ----------------------------------------------------------------------------------------
168:  1       ( 31.424,  -0.200,  18.228)  ( 31.429,  -0.198,  18.233)  ( 0.02,  0.05,  0.03)
168:     bond    ( 17.093,   4.746,  20.403)  ( 17.097,   4.747,  20.407)  ( 0.02,  0.02,  0.02)
168:     angle   ( 10.823,  -6.670,  -7.661)  ( 10.824,  -6.668,  -7.659)  ( 0.02,  0.03,  0.02)
168:     strbnd  ( -1.302,  -1.496,  -3.384)  ( -1.303,  -1.496,  -3.384)  ( 0.04,  0.04,  0.02)
168:     torsion ( -0.752,  -0.481,  -0.404)  ( -0.752,  -0.481,  -0.404)  ( 0.01,  0.01,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.697,   3.940,   6.118)  (  2.697,   3.940,   6.118)  ( 0.00,  0.00,  0.00)
168:     electro (  2.864,  -0.239,   3.155)  (  2.864,  -0.239,   3.155)  ( 0.00,  0.00,  0.00)
168:  2       (-36.010,   4.515,  17.051)  (-36.005,   4.520,  17.057)  ( 0.01,  0.12,  0.03)
168:     bond    (-27.113,  -0.560,   3.022)  (-27.109,  -0.556,   3.026)  ( 0.02,  0.22,  0.12)
168:     angle   (-10.986,   1.327,   1.389)  (-10.984,   1.329,   1.391)  ( 0.02,  0.14,  0.17)
168:     strbnd  (  6.026,   1.292,   2.785)  (  6.025,   1.291,   2.784)  ( 0.02,  0.04,  0.03)
168:     torsion (  0.387,   2.102,   1.063)  (  0.387,   2.103,   1.063)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.974,  -1.076,   6.259)  ( -5.974,  -1.076,   6.260)  ( 0.00,  0.00,  0.00)
168:     electro (  1.650,   1.429,   2.533)  (  1.650,   1.429,   2.533)  ( 0.00,  0.00,  0.00)
168:  3       (-11.045, -13.207,  11.272)  (-11.039, -13.201,  11.277)  ( 0.05,  0.04,  0.05)
168:     bond    ( -2.739,  -3.315,  12.969)  ( -2.735,  -3.311,  12.974)  ( 0.14,  0.12,  0.03)
168:     angle   (  0.437, -11.359,  -0.705)  (  0.439, -11.357,  -0.703)  ( 0.09,  0.02,  0.14)
168:     strbnd  (  1.387,   2.155,  -8.533)  (  1.387,   2.154,  -8.535)  ( 0.02,  0.03,  0.02)
168:     torsion ( -2.416,   1.078,   0.854)  ( -2.416,   1.078,   0.855)  ( 0.00,  0.01,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -6.807,  -1.527,   6.510)  ( -6.807,  -1.527,   6.510)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.907,  -0.238,   0.176)  ( -0.907,  -0.238,   0.176)  ( 0.00,  0.00,  0.00)
168:  4       ( -4.273,   7.522,  -3.211)  ( -4.268,   7.525,  -3.205)  ( 0.13,  0.04,  0.18)
168:     bond    (  0.949,  -2.282,   0.268)  (  0.953,  -2.280,   0.273)  ( 0.43,  0.06,  0.13)
168:     angle   (  0.591,  21.684,   6.844)  (  0.593,  21.686,   6.845)  ( 0.09,  0.01,  0.02)
168:     strbnd  (  1.406,  -5.851,  -0.013)  (  1.406,  -5.852,  -0.014)  ( 0.04,  0.01,  0.00)
168:     torsion (  0.184,  -1.989,  -0.339)  (  0.185,  -1.989,  -0.339)  ( 0.00,  0.01,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -5.463,  -3.294,  -7.182)  ( -5.463,  -3.294,  -7.182)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.941,  -0.746,  -2.788)  ( -1.941,  -0.746,  -2.788)  ( 0.00,  0.00,  0.00)
168:  5       ( 15.539,  -6.936, -11.710)  ( 15.544,  -6.931, -11.704)  ( 0.03,  0.08,  0.05)
168:     bond    ( 13.334,   0.629,  -1.309)  ( 13.339,   0.633,  -1.305)  ( 0.04,  0.25,  0.29)
168:     angle   (  2.816, -10.985,  -2.204)  (  2.818, -10.983,  -2.202)  ( 0.07,  0.02,  0.10)
168:     strbnd  ( -8.882,  -0.451,   0.327)  ( -8.883,  -0.452,   0.326)  ( 0.02,  0.02,  0.01)
168:     torsion (  0.798,   1.843,  -1.911)  (  0.798,   1.843,  -1.911)  ( 0.00,  0.01,  0.01)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  7.392,   1.990,  -5.711)  (  7.392,   1.990,  -5.711)  ( 0.00,  0.00,  0.00)
168:     electro (  0.082,   0.038,  -0.901)  (  0.082,   0.038,  -0.901)  ( 0.00,  0.00,  0.00)
168:  6       ( 19.460,  15.761, -31.866)  ( 19.465,  15.766, -31.861)  ( 0.03,  0.03,  0.02)
168:     bond    (  5.775,   7.666, -25.091)  (  5.778,   7.670, -25.086)  ( 0.07,  0.05,  0.02)
168:     angle   (  1.263,   4.370, -10.670)  (  1.265,   4.372, -10.668)  ( 0.18,  0.05,  0.02)
168:     strbnd  (  1.829,   0.313,   6.376)  (  1.828,   0.312,   6.375)  ( 0.03,  0.02,  0.02)
168:     torsion (  2.320,   0.305,   0.903)  (  2.321,   0.305,   0.903)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  7.013,   1.540,  -5.601)  (  7.013,   1.540,  -5.601)  ( 0.00,  0.00,  0.00)
168:     electro (  1.260,   1.567,   2.216)  (  1.260,   1.567,   2.216)  ( 0.00,  0.00,  0.00)
168:  7       ( -5.272,  -8.082,  -8.394)  ( -5.266,  -8.076,  -8.389)  ( 0.11,  0.07,  0.07)
168:     bond    ( -5.766,  -6.148,  -8.390)  ( -5.762,  -6.144,  -8.385)  ( 0.07,  0.07,  0.05)
168:     angle   ( -0.655,  -5.211,  -2.282)  ( -0.653,  -5.209,  -2.280)  ( 0.12,  0.03,  0.08)
168:     strbnd  (  5.025,   4.822,   7.145)  (  5.024,   4.821,   7.144)  ( 0.01,  0.02,  0.01)
168:     torsion (  0.524,  -0.894,   0.352)  (  0.524,  -0.894,   0.352)  ( 0.00,  0.01,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -4.384,  -0.621,  -5.255)  ( -4.383,  -0.621,  -5.255)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.016,  -0.029,   0.035)  ( -0.016,  -0.029,   0.035)  ( 0.00,  0.00,  0.00)
168:  8       (  1.728,  10.474,  24.887)  (  1.734,  10.474,  24.938)  ( 0.32,  0.00,  0.20)
168:     bond    ( 11.385, -12.341, -10.198)  ( 11.388, -12.332, -10.191)  ( 0.03,  0.07,  0.07)
168:     angle   (-32.172,  28.633,  36.543)  (-32.169,  28.635,  36.546)  ( 0.01,  0.01,  0.01)
168:     strbnd  ( 23.556,  -6.610,  -5.451)  ( 23.555,  -6.611,  -5.452)  ( 0.00,  0.02,  0.02)
168:     torsion (  0.338,  -1.851,   0.344)  (  0.338,  -1.851,   0.344)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.005,   0.056,  -0.231)  ( -0.004,   0.046,  -0.190)  ( 0.00,  0.06,  0.96)
168:     vdw     (  1.478,   1.254,   4.534)  (  1.478,   1.254,   4.535)  ( 0.01,  0.00,  0.00)
168:     electro ( -2.852,   1.333,  -0.654)  ( -2.852,   1.333,  -0.654)  ( 0.00,  0.00,  0.00)
168:  9       (  8.282, -17.496,  -4.338)  (  8.284, -17.494,  -4.331)  ( 0.02,  0.01,  0.14)
168:     bond    (  1.485,   1.600,  -4.386)  (  1.486,   1.600,  -4.380)  ( 0.05,  0.05,  0.14)
168:     angle   (  5.763, -17.078,  -4.285)  (  5.764, -17.078,  -4.285)  ( 0.01,  0.00,  0.00)
168:     strbnd  ( -0.447,  -2.536,   3.420)  ( -0.447,  -2.536,   3.420)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.480,   0.079,   0.191)  (  0.480,   0.079,   0.191)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.856,   0.959,   2.952)  (  1.856,   0.959,   2.952)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.854,  -0.519,  -2.230)  ( -0.854,  -0.519,  -2.230)  ( 0.00,  0.00,  0.00)
168: 10       ( 12.548,   0.140, -14.985)  ( 12.549,   0.147, -14.984)  ( 0.01,  0.10,  0.01)
168:     bond    (  0.309,  -3.128,   0.485)  (  0.309,  -3.121,   0.485)  ( 0.00,  0.24,  0.01)
168:     angle   ( 15.756,  -0.811, -15.260)  ( 15.757,  -0.811, -15.259)  ( 0.00,  0.00,  0.01)
168:     strbnd  (  0.664,   2.939,  -1.490)  (  0.664,   2.939,  -1.490)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.106,  -0.157,  -0.307)  ( -1.106,  -0.157,  -0.307)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.387,   3.365,   2.847)  ( -2.387,   3.365,   2.847)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.689,  -2.068,  -1.261)  ( -0.689,  -2.068,  -1.261)  ( 0.00,  0.00,  0.00)
168: 11       (-10.575,  -8.846,  -5.661)  (-10.571,  -8.813,  -5.772)  ( 0.03,  0.38,  1.96)
168:     bond    ( -6.709,   1.922,   1.059)  ( -6.705,   1.927,   1.060)  ( 0.06,  0.26,  0.04)
168:     angle   ( 24.355, -15.184, -15.338)  ( 24.357, -15.182, -15.338)  ( 0.01,  0.01,  0.00)
168:     strbnd  (-18.936,   1.986,   0.297)  (-18.936,   1.986,   0.297)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.305,  -0.296,   4.647)  (  0.305,  -0.296,   4.648)  ( 0.00,  0.00,  0.02)
168:     oop     (  0.009,  -0.160,   0.679)  (  0.007,  -0.133,   0.566)  ( 0.00,  0.43,  7.65)
168:     vdw     ( -9.578,   2.904,   3.010)  ( -9.577,   2.904,   3.010)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.021,  -0.018,  -0.016)  ( -0.021,  -0.018,  -0.016)  ( 0.00,  0.00,  0.00)
168: 12       (-24.157,   0.640,  -1.425)  (-24.149,   0.633,  -1.363)  ( 0.03,  0.45,  4.37)
168:     bond    (  1.922,   0.917,   0.032)  (  1.927,   0.922,   0.032)  ( 0.28,  0.47,  0.00)
168:     angle   ( -9.984,   2.922,   1.064)  ( -9.983,   2.923,   1.065)  ( 0.02,  0.05,  0.01)
168:     strbnd  (-10.267,   7.335,   1.838)  (-10.267,   7.335,   1.838)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.034,   0.453,  -2.054)  ( -0.034,   0.453,  -2.053)  ( 0.00,  0.00,  0.06)
168:     oop     ( -0.004,   0.086,  -0.378)  ( -0.003,   0.072,  -0.317)  ( 0.00,  0.12,  2.29)
168:     vdw     ( -6.756, -10.594,  -1.657)  ( -6.755, -10.594,  -1.657)  ( 0.00,  0.00,  0.00)
168:     electro (  0.966,  -0.478,  -0.270)  (  0.966,  -0.478,  -0.270)  ( 0.00,  0.00,  0.00)
168: 13       (  9.671, -18.090,  -9.125)  (  9.679, -18.096,  -9.073)  ( 0.08,  0.03,  0.57)
168:     bond    (  3.557,   7.206,   1.481)  (  3.562,   7.211,   1.482)  ( 0.15,  0.07,  0.03)
168:     angle   (  3.498, -21.802,  -5.738)  (  3.500, -21.801,  -5.738)  ( 0.04,  0.01,  0.00)
168:     strbnd  ( 11.124,   5.598,   1.224)  ( 11.124,   5.598,   1.224)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.010,   0.214,  -0.783)  ( -0.010,   0.214,  -0.782)  ( 0.00,  0.00,  0.10)
168:     oop     ( -0.007,   0.075,  -0.292)  ( -0.006,   0.062,  -0.242)  ( 0.00,  0.09,  1.46)
168:     vdw     ( -8.946,  -9.231,  -4.972)  ( -8.946,  -9.231,  -4.972)  ( 0.00,  0.00,  0.00)
168:     electro (  0.455,  -0.149,  -0.044)  (  0.455,  -0.149,  -0.044)  ( 0.00,  0.00,  0.00)
168: 14       (-13.663,  -2.396,   4.950)  (-13.657,  -2.371,   4.880)  ( 0.04,  1.04,  1.41)
168:     bond    (-26.978,  13.126,   4.300)  (-26.972,  13.131,   4.300)  ( 0.02,  0.03,  0.01)
168:     angle   (-18.118,  -9.493,   4.254)  (-18.116,  -9.491,   4.254)  ( 0.01,  0.02,  0.00)
168:     strbnd  ( 29.827,  -3.579,  -1.396)  ( 29.826,  -3.579,  -1.395)  ( 0.00,  0.00,  0.01)
168:     torsion ( -0.134,  -1.037,   2.744)  ( -0.134,  -1.037,   2.746)  ( 0.00,  0.01,  0.04)
168:     oop     (  0.011,  -0.106,   0.410)  (  0.009,  -0.087,   0.339)  ( 0.00,  0.20,  2.94)
168:     vdw     (  1.699,  -1.418,  -5.301)  (  1.699,  -1.418,  -5.301)  ( 0.01,  0.01,  0.00)
168:     electro (  0.030,   0.111,  -0.061)  (  0.030,   0.111,  -0.061)  ( 0.00,  0.00,  0.00)
168: 15       ( 13.797, -14.175,  -4.609)  ( 13.759, -14.176,  -4.431)  ( 0.28,  0.01,  3.87)
168:     bond    ( -5.136, -10.558,  -3.032)  ( -5.131, -10.553,  -3.032)  ( 0.09,  0.04,  0.02)
168:     angle   (  2.758, -11.175,   3.017)  (  2.760, -11.174,   3.017)  ( 0.07,  0.02,  0.00)
168:     strbnd  (  9.858,  -2.806,  -1.156)  (  9.859,  -2.806,  -1.156)  ( 0.00,  0.00,  0.01)
168:     torsion ( -0.006,   0.855,  -3.398)  ( -0.006,   0.855,  -3.397)  ( 0.00,  0.01,  0.04)
168:     oop     (  0.274,   0.043,  -1.066)  (  0.229,   0.036,  -0.889)  ( 1.23,  0.03, 16.55)
168:     vdw     (  6.480,   9.337,   1.077)  (  6.480,   9.337,   1.077)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.432,   0.129,  -0.052)  ( -0.432,   0.129,  -0.052)  ( 0.00,  0.00,  0.00)
168: 16       (-18.628,  20.328,   6.654)  (-18.621,  20.351,   6.601)  ( 0.04,  0.11,  0.80)
168:     bond    (  8.237,  -4.438,  -0.410)  (  8.242,  -4.433,  -0.410)  ( 0.06,  0.11,  0.02)
168:     angle   (-15.113,  19.214,   5.231)  (-15.111,  19.215,   5.231)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -4.665,  -2.331,  -0.554)  ( -4.666,  -2.331,  -0.554)  ( 0.00,  0.01,  0.00)
168:     torsion (  0.007,   0.399,  -1.363)  (  0.007,   0.399,  -1.362)  ( 0.00,  0.00,  0.09)
168:     oop     ( -0.002,  -0.093,   0.333)  ( -0.001,  -0.078,   0.278)  ( 0.00,  0.14,  1.84)
168:     vdw     ( -7.680,   8.051,   3.527)  ( -7.680,   8.051,   3.527)  ( 0.00,  0.00,  0.00)
168:     electro (  0.588,  -0.473,  -0.110)  (  0.588,  -0.473,  -0.110)  ( 0.00,  0.00,  0.00)
168: 17       ( -6.589,  20.521,   5.019)  ( -6.584,  20.520,   5.042)  ( 0.08,  0.00,  0.45)
168:     bond    (  2.115,   1.161,  -0.091)  (  2.119,   1.164,  -0.091)  ( 0.20,  0.31,  0.00)
168:     angle   ( 25.721,  28.686,   2.043)  ( 25.721,  28.687,   2.043)  ( 0.00,  0.00,  0.01)
168:     strbnd  (-34.795,  -0.918,   2.926)  (-34.795,  -0.918,   2.926)  ( 0.00,  0.00,  0.01)
168:     torsion (  0.088,  -0.609,   5.097)  (  0.088,  -0.609,   5.098)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.003,   0.029,  -0.113)  ( -0.002,   0.024,  -0.092)  ( 0.00,  0.02,  0.25)
168:     vdw     (  0.333,  -8.190,  -5.814)  (  0.333,  -8.190,  -5.813)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.048,   0.362,   0.971)  ( -0.048,   0.362,   0.971)  ( 0.00,  0.00,  0.00)
168: 18       (  4.901,  -9.780,  -7.635)  (  4.906,  -9.775,  -7.629)  ( 0.12,  0.05,  0.07)
168:     bond    (  8.725, -11.934,  -3.140)  (  8.729, -11.929,  -3.136)  ( 0.04,  0.04,  0.13)
168:     angle   ( -9.764,  -7.159,  -6.067)  ( -9.762,  -7.157,  -6.065)  ( 0.02,  0.03,  0.03)
168:     strbnd  ( -5.015,  10.337,   3.735)  ( -5.015,  10.336,   3.735)  ( 0.00,  0.02,  0.02)
168:     torsion ( -0.197,   1.065,  -2.228)  ( -0.197,   1.065,  -2.228)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( 10.854,  -1.808,   0.220)  ( 10.854,  -1.808,   0.220)  ( 0.00,  0.00,  0.00)
168:     electro (  0.296,  -0.282,  -0.155)  (  0.296,  -0.282,  -0.155)  ( 0.00,  0.00,  0.00)
168: 19       (  3.262, -11.126,   7.782)  (  3.268, -11.121,   7.787)  ( 0.17,  0.05,  0.06)
168:     bond    (  1.121,  -2.081,   3.281)  (  1.125,  -2.077,   3.285)  ( 0.37,  0.19,  0.12)
168:     angle   ( -4.420,  -2.772,   7.469)  ( -4.418,  -2.771,   7.471)  ( 0.04,  0.06,  0.02)
168:     strbnd  (  0.275,   1.768,  -3.446)  (  0.274,   1.768,  -3.447)  ( 0.01,  0.03,  0.03)
168:     torsion (  2.173,  -4.215,  -2.094)  (  2.173,  -4.215,  -2.094)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.113,  -3.826,   2.573)  (  4.113,  -3.826,   2.573)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 20       (-13.410,  36.890,  -6.616)  (-13.231,  36.875,  -7.066)  ( 1.34,  0.04,  6.81)
168:     bond    (-25.048,  -5.303,  -9.231)  (-25.043,  -5.295,  -9.230)  ( 0.02,  0.16,  0.01)
168:     angle   ( 27.154,  45.020,   3.962)  ( 27.157,  45.022,   3.962)  ( 0.01,  0.01,  0.00)
168:     strbnd  ( -8.325,   2.343,  -3.287)  ( -8.326,   2.342,  -3.287)  ( 0.01,  0.03,  0.00)
168:     torsion ( -0.784,   0.421,   0.853)  ( -0.784,   0.421,   0.855)  ( 0.01,  0.00,  0.10)
168:     oop     ( -1.005,   0.148,   2.652)  ( -0.833,   0.123,   2.200)  (17.14,  0.37, 17.06)
168:     vdw     ( -7.531,  -5.686,  -2.010)  ( -7.531,  -5.686,  -2.010)  ( 0.00,  0.00,  0.00)
168:     electro (  2.129,  -0.052,   0.444)  (  2.129,  -0.052,   0.444)  ( 0.00,  0.00,  0.00)
168: 21       (-27.162,  29.352, -13.784)  (-27.190,  29.364, -13.696)  ( 0.10,  0.04,  0.64)
168:     bond    (  1.411,  -0.192,   0.529)  (  1.413,  -0.184,   0.530)  ( 0.16,  0.16,  0.02)
168:     angle   (-46.884,  20.267, -18.839)  (-46.882,  20.268, -18.839)  ( 0.00,  0.00,  0.00)
168:     strbnd  ( 12.752,   3.510,   4.513)  ( 12.751,   3.510,   4.513)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.598,   0.098,   1.696)  ( -0.597,   0.098,   1.697)  ( 0.01,  0.00,  0.05)
168:     oop     (  0.246,  -0.028,  -0.654)  (  0.213,  -0.025,  -0.567)  ( 0.80,  0.01,  5.70)
168:     vdw     (  4.514,   7.067,  -1.941)  (  4.514,   7.067,  -1.941)  ( 0.00,  0.00,  0.00)
168:     electro (  1.398,  -1.371,   0.911)  (  1.398,  -1.371,   0.911)  ( 0.00,  0.00,  0.00)
168: 22       ( 25.373,  -3.530,  11.099)  ( 25.354,  -3.518,  11.172)  ( 0.08,  0.35,  0.65)
168:     bond    (  5.877,  -7.278,   2.737)  (  5.883,  -7.273,   2.738)  ( 0.10,  0.07,  0.03)
168:     angle   ( 43.794,  -7.031,  17.104)  ( 43.796,  -7.028,  17.104)  ( 0.00,  0.03,  0.00)
168:     strbnd  (-22.680,  -3.722,  -8.477)  (-22.681,  -3.722,  -8.477)  ( 0.00,  0.01,  0.00)
168:     torsion (  0.130,  -0.036,  -0.336)  (  0.130,  -0.036,  -0.335)  ( 0.00,  0.00,  0.04)
168:     oop     (  0.109,  -0.020,  -0.288)  (  0.082,  -0.015,  -0.218)  ( 0.29,  0.01,  2.03)
168:     vdw     ( -2.056,  15.026,   0.263)  ( -2.056,  15.026,   0.263)  ( 0.00,  0.00,  0.00)
168:     electro (  0.200,  -0.470,   0.097)  (  0.200,  -0.470,   0.097)  ( 0.00,  0.00,  0.00)
168: 23       (-25.753, -35.180,  -7.611)  (-25.763, -35.169,  -7.561)  ( 0.04,  0.03,  0.66)
168:     bond    ( -0.604, -30.983,   1.773)  ( -0.599, -30.977,   1.774)  ( 0.32,  0.02,  0.05)
168:     angle   (-36.863, -14.117, -12.692)  (-36.861, -14.115, -12.691)  ( 0.01,  0.01,  0.00)
168:     strbnd  (  7.549,   3.290,   2.655)  (  7.548,   3.290,   2.655)  ( 0.01,  0.03,  0.01)
168:     torsion (  0.142,  -0.020,  -0.374)  (  0.142,  -0.020,  -0.373)  ( 0.00,  0.00,  0.04)
168:     oop     (  0.061,  -0.009,  -0.157)  (  0.042,  -0.006,  -0.109)  ( 0.11,  0.00,  0.76)
168:     vdw     (  4.758,   7.545,   1.424)  (  4.758,   7.546,   1.424)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.795,  -0.886,  -0.241)  ( -0.795,  -0.886,  -0.241)  ( 0.00,  0.00,  0.00)
168: 24       ( -0.951,  42.977,  -2.589)  ( -0.872,  42.973,  -2.760)  ( 7.57,  0.01,  6.61)
168:     bond    ( -7.128,  36.476,  -5.032)  ( -7.118,  36.481,  -5.030)  ( 0.14,  0.02,  0.03)
168:     angle   (  3.045,   5.260,   0.441)  (  3.047,   5.262,   0.441)  ( 0.07,  0.05,  0.02)
168:     strbnd  (  3.284,   4.936,   0.917)  (  3.283,   4.934,   0.917)  ( 0.03,  0.02,  0.03)
168:     torsion ( -0.021,  -0.004,   0.079)  ( -0.021,  -0.004,   0.080)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.326,   0.056,   0.831)  ( -0.258,   0.044,   0.657)  ( 2.23,  0.06, 14.42)
168:     vdw     (  3.476,  -4.869,   1.621)  (  3.476,  -4.869,   1.621)  ( 0.00,  0.00,  0.00)
168:     electro ( -3.281,   1.124,  -1.446)  ( -3.281,   1.124,  -1.446)  ( 0.00,  0.00,  0.00)
168: 25       (  2.353, -57.543,   5.157)  (  2.241, -57.512,   5.467)  ( 4.76,  0.05,  5.99)
168:     bond    (  8.283,   2.133,   2.726)  (  8.290,   2.140,   2.727)  ( 0.08,  0.31,  0.03)
168:     angle   ( -6.422, -45.385,   1.001)  ( -6.420, -45.383,   1.001)  ( 0.02,  0.01,  0.03)
168:     strbnd  (-10.186,  -7.939,  -3.501)  (-10.187,  -7.938,  -3.501)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.679,  -0.052,  -1.804)  (  0.679,  -0.052,  -1.802)  ( 0.01,  0.00,  0.06)
168:     oop     (  0.701,  -0.126,  -1.797)  (  0.581,  -0.105,  -1.490)  ( 8.39,  0.25, 17.08)
168:     vdw     (  8.959,  -7.735,   8.017)  (  8.959,  -7.735,   8.017)  ( 0.00,  0.01,  0.00)
168:     electro (  0.340,   1.560,   0.515)  (  0.340,   1.560,   0.515)  ( 0.00,  0.00,  0.00)
168: 26       (-24.471, -19.645,  -3.911)  (-24.482, -19.634,  -3.861)  ( 0.04,  0.05,  1.28)
168:     bond    (-24.696,   9.518, -10.388)  (-24.690,   9.523, -10.387)  ( 0.03,  0.05,  0.01)
168:     angle   ( -7.991, -22.014,  -4.231)  ( -7.989, -22.012,  -4.230)  ( 0.02,  0.01,  0.01)
168:     strbnd  (  7.348,  -6.906,   2.805)  (  7.348,  -6.906,   2.805)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.081,  -0.067,  -0.270)  (  0.081,  -0.067,  -0.270)  ( 0.00,  0.00,  0.02)
168:     oop     (  0.110,  -0.023,  -0.279)  (  0.091,  -0.019,  -0.231)  ( 0.20,  0.01,  1.33)
168:     vdw     (  0.759,  -0.386,   8.493)  (  0.759,  -0.386,   8.493)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.082,   0.233,  -0.042)  ( -0.082,   0.233,  -0.042)  ( 0.00,  0.00,  0.00)
168: 27       ( 41.711,  24.030,  14.411)  ( 41.729,  24.033,  14.383)  ( 0.04,  0.01,  0.19)
168:     bond    ( 18.803,  -4.833,   7.511)  ( 18.809,  -4.830,   7.512)  ( 0.03,  0.06,  0.01)
168:     angle   ( 18.124,  40.689,   3.688)  ( 18.124,  40.692,   3.688)  ( 0.00,  0.01,  0.00)
168:     strbnd  (  3.463, -10.759,   2.073)  (  3.463, -10.760,   2.073)  ( 0.01,  0.01,  0.00)
168:     torsion (  0.026,  -0.003,  -0.071)  (  0.026,  -0.003,  -0.071)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.076,   0.016,   0.200)  ( -0.065,   0.014,   0.171)  ( 0.09,  0.00,  0.58)
168:     vdw     (  0.932,  -1.439,   0.904)  (  0.932,  -1.439,   0.904)  ( 0.01,  0.00,  0.00)
168:     electro (  0.440,   0.358,   0.107)  (  0.440,   0.358,   0.107)  ( 0.00,  0.00,  0.00)
168: 28       ( 11.710, -34.700,   6.799)  ( 11.713, -34.692,   6.813)  ( 0.02,  0.02,  0.21)
168:     bond    ( 10.457,  12.301,   2.949)  ( 10.462,  12.307,   2.950)  ( 0.05,  0.05,  0.03)
168:     angle   ( -9.168, -55.992,   0.592)  ( -9.166, -55.990,   0.592)  ( 0.03,  0.00,  0.03)
168:     strbnd  ( 10.254,   8.892,   3.121)  ( 10.253,   8.891,   3.121)  ( 0.01,  0.01,  0.00)
168:     torsion ( -0.078,   0.016,   0.208)  ( -0.078,   0.016,   0.209)  ( 0.00,  0.00,  0.01)
168:     oop     (  0.033,  -0.007,  -0.088)  (  0.029,  -0.006,  -0.076)  ( 0.02,  0.00,  0.11)
168:     vdw     (  0.152,   1.397,  -0.108)  (  0.152,   1.397,  -0.108)  ( 0.00,  0.00,  0.00)
168:     electro (  0.061,  -1.307,   0.124)  (  0.061,  -1.307,   0.124)  ( 0.00,  0.00,  0.00)
168: 29       ( 15.903,   4.286,   5.958)  ( 15.892,   4.291,   6.006)  ( 0.07,  0.11,  0.81)
168:     bond    (  4.738,  -2.006,   1.986)  (  4.745,  -2.005,   1.987)  ( 0.15,  0.06,  0.06)
168:     angle   (  4.344,  11.246,   0.976)  (  4.344,  11.247,   0.976)  ( 0.00,  0.01,  0.00)
168:     strbnd  (  8.204,  -1.157,   3.293)  (  8.204,  -1.157,   3.293)  ( 0.00,  0.02,  0.00)
168:     torsion ( -0.055,   0.010,   0.143)  ( -0.055,   0.010,   0.143)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.076,  -0.012,  -0.195)  (  0.058,  -0.009,  -0.148)  ( 0.14,  0.00,  0.91)
168:     vdw     ( -0.237,  -3.506,   0.148)  ( -0.237,  -3.506,   0.148)  ( 0.00,  0.00,  0.00)
168:     electro ( -1.166,  -0.288,  -0.392)  ( -1.166,  -0.288,  -0.392)  ( 0.00,  0.00,  0.00)
168: 30       ( -2.074,  31.175,  -2.945)  ( -2.064,  31.180,  -2.953)  ( 0.46,  0.02,  0.26)
168:     bond    ( -4.277,   0.277,  -1.598)  ( -4.272,   0.282,  -1.594)  ( 0.12,  0.12,  0.27)
168:     angle   ( 12.189,  27.647,   2.441)  ( 12.190,  27.649,   2.443)  ( 0.02,  0.01,  0.06)
168:     strbnd  (-12.899,  -0.004,  -4.802)  (-12.901,  -0.005,  -4.803)  ( 0.02,  0.00,  0.01)
168:     torsion ( -0.029,  -0.010,   0.078)  ( -0.029,  -0.010,   0.078)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.021,   0.004,   0.055)  ( -0.016,   0.003,   0.042)  ( 0.01,  0.00,  0.07)
168:     vdw     (  2.572,   3.686,   0.693)  (  2.572,   3.686,   0.693)  ( 0.00,  0.00,  0.00)
168:     electro (  0.391,  -0.425,   0.188)  (  0.391,  -0.425,   0.188)  ( 0.00,  0.00,  0.00)
168: 31       ( -1.650,  -0.829,   5.649)  ( -1.630,  -0.826,   5.618)  ( 1.18,  0.22,  0.55)
168:     bond    (  2.316,  -1.013,   0.462)  (  2.320,  -1.009,   0.466)  ( 0.17,  0.39,  0.18)
168:     angle   ( -1.033,  -3.283,   3.719)  ( -1.030,  -3.281,   3.721)  ( 0.20,  0.06,  0.05)
168:     strbnd  ( -1.912,   0.920,  -0.790)  ( -1.913,   0.919,  -0.791)  ( 0.04,  0.06,  0.08)
168:     torsion ( -0.089,   0.197,   0.525)  ( -0.089,   0.197,   0.525)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.059,   0.012,   0.150)  ( -0.045,   0.010,   0.114)  ( 0.08,  0.00,  0.53)
168:     vdw     ( -0.575,   2.524,   1.662)  ( -0.575,   2.524,   1.662)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.297,  -0.187,  -0.080)  ( -0.297,  -0.187,  -0.080)  ( 0.00,  0.00,  0.00)
168: 32       ( -0.533,   9.885,  -5.279)  ( -0.528,   9.891,  -5.275)  ( 0.30,  0.05,  0.09)
168:     bond    ( -0.397,   0.967,   0.156)  ( -0.393,   0.971,   0.160)  ( 0.16,  0.37,  0.06)
168:     angle   (  1.310,   8.321,  -3.491)  (  1.312,   8.323,  -3.489)  ( 0.14,  0.02,  0.06)
168:     strbnd  (  0.932,  -1.664,  -0.673)  (  0.932,  -1.665,  -0.674)  ( 0.03,  0.04,  0.07)
168:     torsion ( -1.283,   1.507,   0.186)  ( -1.282,   1.508,   0.186)  ( 0.01,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.096,   0.754,  -1.457)  ( -1.096,   0.754,  -1.457)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 33       ( -0.762,  -6.186,  -6.819)  ( -0.756,  -6.181,  -6.814)  ( 0.42,  0.08,  0.08)
168:     bond    ( -0.257,   0.740,  -0.064)  ( -0.253,   0.744,  -0.060)  ( 0.11,  0.30,  0.03)
168:     angle   ( -0.057,  -7.999,  -0.743)  ( -0.055,  -7.998,  -0.742)  ( 0.01,  0.02,  0.13)
168:     strbnd  ( -0.135,   0.372,   0.957)  ( -0.135,   0.371,   0.957)  ( 0.01,  0.03,  0.07)
168:     torsion (  0.594,   0.454,  -0.563)  (  0.594,   0.454,  -0.563)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.907,   0.247,  -6.406)  ( -0.907,   0.247,  -6.406)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 34       (  3.845, -11.220,   1.372)  (  3.846, -11.218,   1.373)  ( 0.03,  0.02,  0.05)
168:     bond    (  5.169, -14.116,   0.695)  (  5.169, -14.113,   0.695)  ( 0.01,  0.02,  0.01)
168:     angle   (  3.342,   1.196,  -0.586)  (  3.343,   1.196,  -0.585)  ( 0.02,  0.01,  0.03)
168:     strbnd  ( -1.346,  -0.265,  -0.102)  ( -1.346,  -0.265,  -0.102)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.449,   0.094,  -1.417)  (  0.449,   0.094,  -1.417)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.769,   1.870,   2.782)  ( -3.769,   1.870,   2.782)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 35       (  3.186,   4.348, -12.560)  (  3.187,   4.349, -12.557)  ( 0.03,  0.02,  0.02)
168:     bond    (  3.564,   5.536, -13.771)  (  3.564,   5.537, -13.769)  ( 0.01,  0.01,  0.02)
168:     angle   (  4.272,   0.896,   1.466)  (  4.273,   0.896,   1.466)  ( 0.01,  0.04,  0.01)
168:     strbnd  ( -1.404,  -0.280,   0.081)  ( -1.404,  -0.280,   0.081)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.176,  -0.765,  -0.353)  ( -0.176,  -0.765,  -0.353)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -3.070,  -1.039,   0.017)  ( -3.070,  -1.039,   0.017)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 36       ( 12.939,  -0.809,   0.266)  ( 12.942,  -0.808,   0.266)  ( 0.02,  0.05,  0.02)
168:     bond    ( 14.948,  -0.872,  -2.186)  ( 14.951,  -0.871,  -2.186)  ( 0.02,  0.01,  0.01)
168:     angle   ( -0.194,  -0.295,  -1.209)  ( -0.194,  -0.294,  -1.209)  ( 0.00,  0.01,  0.05)
168:     strbnd  ( -0.620,   0.104,   0.833)  ( -0.620,   0.104,   0.833)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.055,   0.235,   0.284)  (  0.055,   0.235,   0.284)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.250,   0.018,   2.544)  ( -1.250,   0.018,   2.544)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 37       ( -3.970,  10.635,   0.243)  ( -3.969,  10.638,   0.244)  ( 0.02,  0.03,  0.02)
168:     bond    ( -3.964,  14.301,  -1.740)  ( -3.964,  14.304,  -1.740)  ( 0.01,  0.02,  0.01)
168:     angle   (  0.591,  -0.040,  -1.679)  (  0.592,  -0.040,  -1.678)  ( 0.03,  0.00,  0.03)
168:     strbnd  (  0.204,  -0.463,   0.799)  (  0.204,  -0.463,   0.799)  ( 0.00,  0.00,  0.00)
168:     torsion (  1.285,   0.262,  -0.775)  (  1.285,   0.262,  -0.775)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.086,  -3.424,   3.639)  ( -2.086,  -3.424,   3.639)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 38       ( -0.865,  -4.190,  12.257)  ( -0.865,  -4.189,  12.259)  ( 0.07,  0.02,  0.02)
168:     bond    ( -3.389,  -5.369,  13.737)  ( -3.388,  -5.369,  13.739)  ( 0.01,  0.01,  0.02)
168:     angle   ( -1.029,  -0.520,  -0.457)  ( -1.029,  -0.520,  -0.457)  ( 0.05,  0.02,  0.00)
168:     strbnd  (  0.813,   0.452,  -0.424)  (  0.813,   0.452,  -0.424)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.168,   0.305,   0.160)  (  0.168,   0.305,   0.160)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.572,   0.942,  -0.759)  (  2.572,   0.942,  -0.759)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 39       ( -2.366,  11.043,  -1.302)  ( -2.365,  11.045,  -1.301)  ( 0.04,  0.02,  0.05)
168:     bond    ( -5.175,  13.998,  -0.756)  ( -5.174,  14.001,  -0.756)  ( 0.01,  0.02,  0.01)
168:     angle   ( -1.747,  -0.629,   0.301)  ( -1.746,  -0.629,   0.301)  ( 0.03,  0.00,  0.01)
168:     strbnd  (  0.846,  -0.285,   0.215)  (  0.846,  -0.285,   0.215)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.933,  -0.284,   1.129)  ( -0.933,  -0.284,   1.129)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  4.643,  -1.758,  -2.190)  (  4.643,  -1.758,  -2.190)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 40       (-14.084,   0.166,   1.101)  (-14.081,   0.167,   1.102)  ( 0.02,  0.01,  0.07)
168:     bond    (-15.161,   0.766,   2.378)  (-15.158,   0.766,   2.378)  ( 0.02,  0.01,  0.01)
168:     angle   (  0.632,  -0.293,   4.123)  (  0.632,  -0.293,   4.124)  ( 0.00,  0.01,  0.01)
168:     strbnd  (  0.268,   0.146,  -1.361)  (  0.268,   0.146,  -1.361)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.102,  -0.786,  -0.394)  ( -0.102,  -0.786,  -0.394)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.279,   0.334,  -3.644)  (  0.280,   0.334,  -3.644)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 41       (  4.171, -11.140,   1.325)  (  4.172, -11.137,   1.325)  ( 0.02,  0.02,  0.06)
168:     bond    (  4.150, -14.362,   1.795)  (  4.150, -14.360,   1.795)  ( 0.01,  0.02,  0.01)
168:     angle   ( -1.040,   0.213,   4.111)  ( -1.039,   0.213,   4.111)  ( 0.04,  0.00,  0.01)
168:     strbnd  (  0.104,   0.125,  -1.337)  (  0.104,   0.125,  -1.337)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.377,  -0.373,   0.198)  ( -1.377,  -0.373,   0.198)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.335,   3.257,  -3.441)  (  2.335,   3.257,  -3.441)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 42       ( -4.567,  10.654,  -2.215)  ( -4.567,  10.656,  -2.215)  ( 0.02,  0.03,  0.03)
168:     bond    ( -3.731,  13.029,  -0.572)  ( -3.730,  13.032,  -0.572)  ( 0.01,  0.02,  0.00)
168:     angle   (  1.346,   0.459,   1.669)  (  1.346,   0.459,   1.669)  ( 0.03,  0.00,  0.03)
168:     strbnd  ( -0.246,  -0.135,  -0.322)  ( -0.246,  -0.135,  -0.322)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.006,  -0.001,   0.005)  ( -0.006,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.931,  -2.698,  -2.995)  ( -1.931,  -2.698,  -2.995)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 43       ( 11.621,  -1.350,  -2.700)  ( 11.624,  -1.349,  -2.700)  ( 0.03,  0.04,  0.02)
168:     bond    ( 13.434,  -0.728,  -1.655)  ( 13.437,  -0.728,  -1.655)  ( 0.02,  0.01,  0.01)
168:     angle   (  0.239,  -0.414,   2.123)  (  0.239,  -0.413,   2.123)  ( 0.00,  0.02,  0.02)
168:     strbnd  ( -0.632,  -0.208,  -0.263)  ( -0.633,  -0.208,  -0.263)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.014,   0.348,  -0.265)  ( -0.014,   0.348,  -0.265)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -1.406,  -0.348,  -2.640)  ( -1.406,  -0.348,  -2.640)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 44       ( -3.360,  -5.091,  10.354)  ( -3.359,  -5.090,  10.356)  ( 0.02,  0.02,  0.03)
168:     bond    ( -2.735,  -4.743,  12.407)  ( -2.734,  -4.742,  12.410)  ( 0.01,  0.01,  0.02)
168:     angle   (  2.115,   0.037,   0.480)  (  2.115,   0.037,   0.480)  ( 0.02,  0.00,  0.00)
168:     strbnd  ( -0.131,  -0.084,  -0.698)  ( -0.131,  -0.084,  -0.698)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.336,   0.257,   0.024)  ( -0.336,   0.257,   0.024)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.272,  -0.558,  -1.860)  ( -2.272,  -0.558,  -1.860)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 45       (  7.917,   7.582,   1.982)  (  7.919,   7.587,   1.972)  ( 0.03,  0.06,  0.48)
168:     bond    (  9.306,   9.280,   2.085)  (  9.308,   9.282,   2.085)  ( 0.02,  0.02,  0.01)
168:     angle   ( -0.825,   0.781,   0.202)  ( -0.825,   0.782,   0.202)  ( 0.03,  0.02,  0.00)
168:     strbnd  ( -0.536,  -0.577,  -0.147)  ( -0.536,  -0.577,  -0.147)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.003,   0.038,  -0.155)  ( -0.003,   0.038,  -0.155)  ( 0.00,  0.00,  0.00)
168:     oop     (  0.001,  -0.014,   0.060)  (  0.001,  -0.012,   0.050)  ( 0.00,  0.00,  0.06)
168:     vdw     (  0.608,  -1.936,  -0.168)  (  0.608,  -1.936,  -0.168)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.634,   0.010,   0.105)  ( -0.634,   0.010,   0.105)  ( 0.00,  0.00,  0.00)
168: 46       ( -0.949,   8.842,   2.170)  ( -0.948,   8.848,   2.157)  ( 0.07,  0.07,  0.57)
168:     bond    ( -2.236,  11.174,   2.917)  ( -2.236,  11.177,   2.918)  ( 0.01,  0.03,  0.01)
168:     angle   (  7.037,   1.340,   0.260)  (  7.038,   1.340,   0.260)  ( 0.01,  0.00,  0.00)
168:     strbnd  (  0.866,  -2.736,  -0.746)  (  0.866,  -2.736,  -0.746)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.005,  -0.155,   0.595)  (  0.005,  -0.155,   0.596)  ( 0.00,  0.00,  0.02)
168:     oop     (  0.002,  -0.022,   0.087)  (  0.001,  -0.019,   0.074)  ( 0.00,  0.01,  0.11)
168:     vdw     ( -6.676,  -0.740,  -0.917)  ( -6.676,  -0.740,  -0.917)  ( 0.00,  0.00,  0.00)
168:     electro (  0.054,  -0.019,  -0.027)  (  0.054,  -0.019,  -0.027)  ( 0.00,  0.00,  0.00)
168: 47       (  3.127,  -7.668,  -2.910)  (  3.129,  -7.675,  -2.873)  ( 0.04,  0.09,  1.26)
168:     bond    (  3.394, -11.784,  -3.276)  (  3.394, -11.781,  -3.275)  ( 0.01,  0.03,  0.01)
168:     angle   (  2.930,   0.813,   0.113)  (  2.931,   0.813,   0.113)  ( 0.02,  0.00,  0.00)
168:     strbnd  ( -0.210,   2.122,   0.663)  ( -0.210,   2.122,   0.663)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.017,   0.295,  -1.081)  ( -0.017,   0.295,  -1.080)  ( 0.00,  0.00,  0.03)
168:     oop     ( -0.001,   0.065,  -0.234)  ( -0.001,   0.055,  -0.198)  ( 0.00,  0.06,  0.85)
168:     vdw     ( -3.105,   0.175,   0.934)  ( -3.105,   0.175,   0.934)  ( 0.01,  0.00,  0.00)
168:     electro (  0.137,   0.646,  -0.030)  (  0.137,   0.646,  -0.030)  ( 0.00,  0.00,  0.00)
168: 48       (-12.816,  -1.854,   2.520)  (-12.814,  -1.854,   2.521)  ( 0.02,  0.04,  0.03)
168:     bond    (-14.576,  -0.381,   3.434)  (-14.573,  -0.381,   3.434)  ( 0.02,  0.00,  0.01)
168:     angle   (  0.009,  -1.112,  -0.086)  (  0.009,  -1.111,  -0.085)  ( 0.00,  0.06,  0.00)
168:     strbnd  (  1.318,  -0.737,  -0.196)  (  1.318,  -0.737,  -0.196)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.019,   0.024,   0.082)  (  0.019,   0.024,   0.082)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.413,   0.351,  -0.714)  (  0.413,   0.351,  -0.714)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 49       (  5.085,   1.582,   9.404)  (  5.086,   1.583,   9.406)  ( 0.02,  0.07,  0.02)
168:     bond    (  5.282,   5.246,   8.963)  (  5.283,   5.247,   8.965)  ( 0.01,  0.01,  0.02)
168:     angle   ( -6.276,   0.410,   3.458)  ( -6.276,   0.410,   3.458)  ( 0.01,  0.02,  0.01)
168:     strbnd  (  0.301,  -0.757,   0.046)  (  0.301,  -0.757,   0.046)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.066,   0.065,   0.001)  ( -0.066,   0.065,   0.001)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  5.844,  -3.382,  -3.063)  (  5.844,  -3.382,  -3.063)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 50       ( -4.133,  12.029,  -0.342)  ( -4.132,  12.031,  -0.341)  ( 0.02,  0.02,  0.02)
168:     bond    ( -5.002,  12.797,   0.970)  ( -5.002,  12.800,   0.970)  ( 0.01,  0.02,  0.01)
168:     angle   (  0.821,   0.446,  -1.651)  (  0.821,   0.446,  -1.650)  ( 0.03,  0.00,  0.03)
168:     strbnd  (  0.347,  -0.722,  -0.122)  (  0.347,  -0.722,  -0.122)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.174,  -0.064,  -0.056)  ( -0.174,  -0.064,  -0.056)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.125,  -0.429,   0.516)  ( -0.125,  -0.429,   0.516)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 51       ( 12.057,   2.405,  -2.800)  ( 12.060,   2.406,  -2.799)  ( 0.02,  0.02,  0.03)
168:     bond    ( 11.866,   0.949,  -3.585)  ( 11.869,   0.949,  -3.584)  ( 0.02,  0.01,  0.01)
168:     angle   ( -1.377,   2.670,  -3.852)  ( -1.377,   2.670,  -3.852)  ( 0.00,  0.02,  0.01)
168:     strbnd  ( -0.478,  -0.001,   0.072)  ( -0.478,  -0.001,   0.072)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.190,   2.069,   1.178)  (  0.190,   2.069,   1.178)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  1.856,  -3.282,   3.388)  (  1.856,  -3.282,   3.388)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 52       ( -7.404,  -4.012,  -9.315)  ( -7.403,  -4.011,  -9.313)  ( 0.02,  0.03,  0.02)
168:     bond    ( -6.876,  -6.421, -10.083)  ( -6.875,  -6.420, -10.081)  ( 0.01,  0.01,  0.02)
168:     angle   (  0.750,   1.477,  -1.453)  (  0.750,   1.478,  -1.453)  ( 0.03,  0.03,  0.02)
168:     strbnd  (  0.385,   0.337,   0.420)  (  0.385,   0.337,   0.420)  ( 0.00,  0.00,  0.00)
168:     torsion ( -1.909,   1.279,   0.487)  ( -1.909,   1.279,   0.487)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.246,  -0.685,   1.314)  (  0.246,  -0.685,   1.314)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 53       ( 13.213,  -8.643,   4.216)  ( 13.227,  -8.641,   4.183)  ( 0.11,  0.02,  0.79)
168:     bond    (  1.222, -10.271,   1.446)  (  1.222, -10.266,   1.446)  ( 0.00,  0.05,  0.00)
168:     angle   (  5.790,   0.964,   1.949)  (  5.790,   0.964,   1.949)  ( 0.01,  0.00,  0.01)
168:     strbnd  (  0.388,  -1.593,   0.291)  (  0.388,  -1.593,   0.291)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.654,  -0.156,  -1.664)  (  0.654,  -0.156,  -1.664)  ( 0.00,  0.00,  0.01)
168:     oop     ( -0.122,   0.029,   0.309)  ( -0.108,   0.026,   0.275)  ( 0.16,  0.01,  1.04)
168:     vdw     (  4.608,   1.041,   2.666)  (  4.609,   1.041,   2.666)  ( 0.00,  0.00,  0.00)
168:     electro (  0.672,   1.344,  -0.779)  (  0.672,   1.344,  -0.779)  ( 0.00,  0.00,  0.00)
168: 54       ( -7.250, -11.027,  -1.781)  ( -7.249, -11.024,  -1.781)  ( 0.01,  0.03,  0.03)
168:     bond    ( -4.260, -12.234,  -0.605)  ( -4.260, -12.231,  -0.605)  ( 0.01,  0.02,  0.00)
168:     angle   ( -3.795,   1.395,  -1.482)  ( -3.795,   1.395,  -1.482)  ( 0.01,  0.01,  0.03)
168:     strbnd  ( -1.388,  -0.259,  -0.495)  ( -1.388,  -0.259,  -0.495)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.002,  -0.000,  -0.006)  (  0.002,  -0.000,  -0.006)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.191,   0.071,   0.806)  (  2.191,   0.071,   0.806)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 55       (-10.238,   6.128,   6.355)  (-10.237,   6.129,   6.357)  ( 0.01,  0.02,  0.02)
168:     bond    ( -7.660,   6.780,   8.104)  ( -7.659,   6.781,   8.105)  ( 0.01,  0.01,  0.01)
168:     angle   ( -3.786,  -2.269,  -1.680)  ( -3.786,  -2.268,  -1.680)  ( 0.01,  0.01,  0.02)
168:     strbnd  ( -1.833,   0.486,   0.087)  ( -1.833,   0.486,   0.087)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  3.040,   1.129,  -0.155)  (  3.040,   1.129,  -0.155)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 56       ( -3.327,   4.630, -12.310)  ( -3.326,   4.631, -12.307)  ( 0.02,  0.02,  0.02)
168:     bond    ( -0.179,   5.185, -12.000)  ( -0.178,   5.185, -11.998)  ( 0.00,  0.01,  0.02)
168:     angle   ( -3.994,  -2.155,  -0.872)  ( -3.993,  -2.155,  -0.872)  ( 0.01,  0.02,  0.01)
168:     strbnd  ( -1.307,   0.375,  -1.326)  ( -1.307,   0.375,  -1.326)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.002,   0.012,   0.005)  ( -0.002,   0.012,   0.005)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  2.154,   1.213,   1.884)  (  2.154,   1.213,   1.884)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 57       ( -0.307,  -9.122,  -8.188)  ( -0.306,  -9.120,  -8.187)  ( 0.02,  0.02,  0.02)
168:     bond    (  0.825, -11.920,  -8.291)  (  0.825, -11.918,  -8.290)  ( 0.01,  0.02,  0.01)
168:     angle   (  0.266,   0.885,  -1.246)  (  0.266,   0.885,  -1.246)  ( 0.01,  0.02,  0.03)
168:     strbnd  (  0.564,   0.787,   0.734)  (  0.564,   0.787,   0.734)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.170,  -0.005,   0.024)  (  0.170,  -0.005,   0.024)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.131,   1.130,   0.592)  ( -2.131,   1.130,   0.592)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 58       (  9.212,   6.945,  -1.363)  (  9.214,   6.946,  -1.362)  ( 0.03,  0.02,  0.05)
168:     bond    ( 12.173,   6.773,  -1.368)  ( 12.175,   6.774,  -1.368)  ( 0.02,  0.01,  0.01)
168:     angle   (  0.058,  -0.350,  -1.218)  (  0.058,  -0.349,  -1.217)  ( 0.00,  0.01,  0.04)
168:     strbnd  ( -0.521,  -1.011,   0.065)  ( -0.521,  -1.011,   0.065)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.181,  -0.338,  -0.064)  (  0.181,  -0.338,  -0.064)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -2.678,   1.870,   1.221)  ( -2.678,   1.870,   1.222)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 59       (-10.799,  -6.712,  -0.430)  (-10.797,  -6.711,  -0.429)  ( 0.02,  0.02,  0.03)
168:     bond    (-12.830,  -7.728,   1.306)  (-12.828,  -7.727,   1.306)  ( 0.02,  0.01,  0.01)
168:     angle   (  0.385,  -0.545,   0.558)  (  0.385,  -0.545,   0.558)  ( 0.01,  0.02,  0.03)
168:     strbnd  (  0.887,   0.269,   0.033)  (  0.887,   0.269,   0.033)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.569,  -0.988,  -0.256)  (  0.569,  -0.988,  -0.256)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.191,   2.279,  -2.071)  (  0.191,   2.279,  -2.071)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 60       (  9.776,  -8.215,   3.975)  (  9.777,  -8.214,   3.976)  ( 0.02,  0.02,  0.02)
168:     bond    ( 11.330,  -9.354,   4.398)  ( 11.332,  -9.353,   4.398)  ( 0.01,  0.01,  0.01)
168:     angle   ( -0.016,   0.054,   0.154)  ( -0.015,   0.054,   0.155)  ( 0.00,  0.00,  0.01)
168:     strbnd  ( -0.988,   0.483,  -0.237)  ( -0.988,   0.483,  -0.237)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.315,  -0.335,   0.099)  ( -0.315,  -0.335,   0.099)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.236,   0.937,  -0.438)  ( -0.236,   0.937,  -0.438)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 61       ( -1.361,  -1.860,  12.613)  ( -1.360,  -1.859,  12.616)  ( 0.04,  0.04,  0.02)
168:     bond    ( -1.242,  -3.974,  13.096)  ( -1.242,  -3.974,  13.099)  ( 0.01,  0.01,  0.02)
168:     angle   ( -0.493,   2.159,   0.609)  ( -0.492,   2.160,   0.609)  ( 0.02,  0.02,  0.00)
168:     strbnd  (  0.058,   0.509,  -0.577)  (  0.058,   0.509,  -0.577)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.242,  -0.008,   0.020)  (  0.242,  -0.008,   0.020)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.075,  -0.546,  -0.535)  (  0.075,  -0.546,  -0.535)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 62       (  9.949,   7.205,  -0.655)  (  9.951,   7.206,  -0.654)  ( 0.02,  0.02,  0.04)
168:     bond    ( 11.359,   7.334,  -1.037)  ( 11.361,   7.335,  -1.037)  ( 0.02,  0.01,  0.01)
168:     angle   ( -0.599,   1.148,   1.564)  ( -0.599,   1.148,   1.564)  ( 0.01,  0.03,  0.03)
168:     strbnd  ( -0.498,  -0.036,   0.239)  ( -0.498,  -0.036,   0.239)  ( 0.00,  0.00,  0.00)
168:     torsion (  0.089,  -0.116,   0.153)  (  0.089,  -0.116,   0.153)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     ( -0.402,  -1.125,  -1.573)  ( -0.402,  -1.125,  -1.573)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: 63       ( -9.227,   7.918,  -3.842)  ( -9.225,   7.919,  -3.841)  ( 0.02,  0.02,  0.02)
168:     bond    (-10.234,   7.920,  -2.677)  (-10.232,   7.921,  -2.677)  ( 0.02,  0.01,  0.01)
168:     angle   (  0.410,   1.448,   2.720)  (  0.410,   1.449,   2.720)  ( 0.01,  0.02,  0.02)
168:     strbnd  (  0.495,  -0.112,   0.334)  (  0.495,  -0.112,   0.334)  ( 0.00,  0.00,  0.00)
168:     torsion ( -0.316,  -0.287,   0.358)  ( -0.316,  -0.287,   0.358)  ( 0.00,  0.00,  0.00)
168:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168:     vdw     (  0.419,  -1.051,  -4.577)  (  0.419,  -1.051,  -4.577)  ( 0.00,  0.00,  0.00)
168:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
168: ok 36 # gradients 
170:     angle   (-11.286,  -8.512,   2.339)  (-11.283,  -8.510,   2.340)  ( 0.02,  0.02,  0.06)
170:     torsion ( 26.667,   8.579,   7.023)  ( 26.667,   8.580,   7.023)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  7.513,  -9.748,   1.685)  (  7.513,  -9.748,   1.685)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 54       (-47.852,  -9.022, -44.500)  (-47.849,  -9.018, -44.486)  ( 0.01,  0.05,  0.03)
170:     bond    (  2.526,  -0.643, -28.750)  (  2.526,  -0.643, -28.736)  ( 0.00,  0.01,  0.05)
170:     angle   ( -0.268,  -2.711,   0.037)  ( -0.265,  -2.707,   0.037)  ( 0.08,  0.13,  0.00)
170:     torsion (-50.211,  -9.373,  -4.203)  (-50.210,  -9.372,  -4.203)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.100,   3.705, -11.584)  (  0.101,   3.705, -11.584)  ( 0.00,  0.02,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 55       (-38.239,  -5.705, -32.015)  (-38.226,  -5.702, -32.012)  ( 0.03,  0.06,  0.01)
170:     bond    (-46.113,  -4.032, -13.586)  (-46.100,  -4.032, -13.585)  ( 0.03,  0.00,  0.01)
170:     angle   (  3.509, -32.715,  -2.200)  (  3.509, -32.712,  -2.198)  ( 0.00,  0.01,  0.09)
170:     torsion (  3.705,   6.365, -14.463)  (  3.705,   6.365, -14.463)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.660,  24.677,  -1.765)  (  0.660,  24.678,  -1.765)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 56       (-20.074, -19.534,  52.018)  (-20.072, -19.531,  52.032)  ( 0.01,  0.02,  0.03)
170:     bond    (  1.302,   8.678,  40.215)  (  1.302,   8.678,  40.229)  ( 0.01,  0.01,  0.03)
170:     angle   (  9.027, -24.582,   5.010)  (  9.029, -24.580,   5.010)  ( 0.02,  0.01,  0.00)
170:     torsion (-17.002, -12.013,   3.142)  (-17.002, -12.013,   3.142)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-13.401,   8.383,   3.651)  (-13.401,   8.383,   3.651)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 57       ( 26.460,  29.842,  -4.295)  ( 26.464,  29.852,  -4.290)  ( 0.02,  0.03,  0.12)
170:     bond    ( 11.126,  23.554, -14.467)  ( 11.128,  23.563, -14.464)  ( 0.02,  0.04,  0.02)
170:     angle   ( 12.472,  -8.642,  -4.482)  ( 12.474,  -8.641,  -4.480)  ( 0.02,  0.01,  0.04)
170:     torsion ( 11.289,   3.498,  14.382)  ( 11.289,   3.498,  14.382)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.427,  11.433,   0.272)  ( -8.427,  11.433,   0.272)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 58       ( 17.909, -40.158, -26.723)  ( 17.915, -40.148, -26.721)  ( 0.04,  0.02,  0.01)
170:     bond    ( 25.086, -34.130,  -7.983)  ( 25.091, -34.121,  -7.983)  ( 0.02,  0.03,  0.00)
170:     angle   (-20.491, -12.612, -10.496)  (-20.489, -12.611, -10.494)  ( 0.01,  0.01,  0.02)
170:     torsion (  3.136,   4.478,  -9.283)  (  3.136,   4.478,  -9.283)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 10.178,   2.107,   1.039)  ( 10.178,   2.107,   1.039)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 59       (  7.352,  34.910, -17.396)  (  7.357,  34.920, -17.391)  ( 0.07,  0.03,  0.02)
170:     bond    ( 14.463,  26.266, -13.205)  ( 14.466,  26.275, -13.203)  ( 0.02,  0.03,  0.02)
170:     angle   (-16.868,   2.403, -13.698)  (-16.866,   2.403, -13.696)  ( 0.01,  0.03,  0.01)
170:     torsion ( -3.902,   6.026,   7.716)  ( -3.902,   6.026,   7.716)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 13.658,   0.216,   1.791)  ( 13.659,   0.216,   1.791)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 60       ( -8.554, -15.355,  43.314)  ( -8.551, -15.353,  43.328)  ( 0.03,  0.02,  0.03)
170:     bond    ( -0.868,   5.060,  34.888)  ( -0.869,   5.060,  34.902)  ( 0.01,  0.00,  0.04)
170:     angle   (-22.600,  -6.248,   0.343)  (-22.597,  -6.246,   0.343)  ( 0.01,  0.03,  0.00)
170:     torsion (  0.908, -12.282,   1.803)  (  0.908, -12.281,   1.803)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 14.006,  -1.886,   6.280)  ( 14.007,  -1.886,   6.280)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 61       (-51.991,   5.602,  -4.126)  (-51.979,   5.605,  -4.121)  ( 0.02,  0.06,  0.10)
170:     bond    (-42.778, -10.304, -17.569)  (-42.767, -10.304, -17.567)  ( 0.03,  0.00,  0.01)
170:     angle   ( -4.630, -20.181,  23.103)  ( -4.629, -20.179,  23.105)  ( 0.01,  0.01,  0.01)
170:     torsion ( -7.164,  17.092,   7.415)  ( -7.164,  17.092,   7.415)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  2.580,  18.995, -17.074)  (  2.580,  18.996, -17.074)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 62       (-21.495,  33.412, -10.092)  (-21.491,  33.426, -10.089)  ( 0.02,  0.04,  0.03)
170:     bond    (  3.985,  46.253,  -1.556)  (  3.985,  46.266,  -1.556)  ( 0.00,  0.03,  0.01)
170:     angle   ( 13.192,  -0.148,  29.385)  ( 13.194,  -0.148,  29.388)  ( 0.01,  0.00,  0.01)
170:     torsion ( 21.003,  -1.921,  -3.329)  ( 21.003,  -1.921,  -3.329)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-59.674, -10.772, -34.592)  (-59.672, -10.772, -34.591)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 63       ( 16.626, -30.317, -28.851)  ( 16.633, -30.313, -28.844)  ( 0.05,  0.01,  0.02)
170:     bond    ( 23.941, -13.747, -21.268)  ( 23.948, -13.745, -21.263)  ( 0.03,  0.01,  0.02)
170:     angle   (  6.188,  -6.431,  11.125)  (  6.189,  -6.429,  11.127)  ( 0.02,  0.03,  0.01)
170:     torsion (-12.366, -15.028,  -4.213)  (-12.366, -15.027,  -4.213)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.138,   4.889, -14.495)  ( -1.138,   4.889, -14.495)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 64       (-22.104, -23.871,  24.818)  (-22.091, -23.868,  24.822)  ( 0.06,  0.01,  0.02)
170:     bond    (-40.965,  -6.579,   9.892)  (-40.953,  -6.579,   9.892)  ( 0.03,  0.00,  0.01)
170:     angle   ( -5.448, -19.724, -35.671)  ( -5.448, -19.722, -35.669)  ( 0.00,  0.01,  0.01)
170:     torsion (  4.240, -15.032,   7.554)  (  4.240, -15.031,   7.554)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 20.069,  17.464,  43.044)  ( 20.070,  17.464,  43.045)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 65       ( 41.479,   2.856,  23.643)  ( 41.485,   2.861,  23.652)  ( 0.01,  0.17,  0.04)
170:     bond    ( 23.063, -17.194,  32.166)  ( 23.067, -17.192,  32.174)  ( 0.02,  0.01,  0.02)
170:     angle   ( 22.666, -18.218, -25.987)  ( 22.668, -18.216, -25.986)  ( 0.01,  0.01,  0.00)
170:     torsion ( 12.123,  12.492,  -2.017)  ( 12.123,  12.492,  -2.017)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-16.374,  25.776,  19.481)  (-16.373,  25.777,  19.481)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 66       (-25.698,  36.326,  -3.779)  (-25.695,  36.340,  -3.776)  ( 0.01,  0.04,  0.08)
170:     bond    (  6.331,  45.473,   1.240)  (  6.331,  45.487,   1.240)  ( 0.00,  0.03,  0.02)
170:     angle   ( 15.181,  -1.371, -27.218)  ( 15.183,  -1.371, -27.215)  ( 0.01,  0.00,  0.01)
170:     torsion (-14.786,   2.193,  -4.961)  (-14.786,   2.193,  -4.961)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-32.424,  -9.969,  27.160)  (-32.423,  -9.968,  27.160)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 67       (  4.802,  42.782, -15.312)  (  4.806,  42.796, -15.309)  ( 0.08,  0.03,  0.02)
170:     bond    ( -3.755,  36.643,  -1.571)  ( -3.755,  36.657,  -1.571)  ( 0.00,  0.04,  0.01)
170:     angle   (  5.815,   1.377,  18.212)  (  5.818,   1.377,  18.214)  ( 0.05,  0.00,  0.01)
170:     torsion (  4.474,  -0.552, -23.574)  (  4.474,  -0.552, -23.573)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.731,   5.314,  -8.379)  ( -1.731,   5.314,  -8.379)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 68       ( 18.600, -41.214, -25.758)  ( 18.605, -41.210, -25.746)  ( 0.03,  0.01,  0.05)
170:     bond    (  9.516,  -9.512, -29.381)  (  9.517,  -9.511, -29.370)  ( 0.01,  0.01,  0.04)
170:     angle   ( 10.913,  -9.288,   6.544)  ( 10.916,  -9.286,   6.544)  ( 0.03,  0.02,  0.01)
170:     torsion (  3.658, -33.517,  12.039)  (  3.658, -33.516,  12.039)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -5.487,  11.103, -14.960)  ( -5.487,  11.103, -14.960)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 69       ( 24.242,  10.836,  42.437)  ( 24.248,  10.842,  42.448)  ( 0.02,  0.06,  0.02)
170:     bond    (-19.615,  22.847,  35.171)  (-19.613,  22.851,  35.179)  ( 0.01,  0.01,  0.02)
170:     angle   (  7.226, -17.693,  15.520)  (  7.229, -17.691,  15.521)  ( 0.03,  0.01,  0.01)
170:     torsion ( 38.219, -14.554,  30.761)  ( 38.219, -14.554,  30.762)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.588,  20.236, -39.015)  ( -1.586,  20.237, -39.014)  ( 0.07,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 70       (-41.118,  22.843, -11.862)  (-41.111,  22.847, -11.852)  ( 0.02,  0.02,  0.08)
170:     bond    (-18.980,   5.841, -25.923)  (-18.975,   5.841, -25.914)  ( 0.02,  0.01,  0.03)
170:     angle   (  2.186, -11.955,  -4.297)  (  2.188, -11.952,  -4.296)  ( 0.08,  0.02,  0.02)
170:     torsion (-23.335,  16.633,  20.836)  (-23.334,  16.633,  20.836)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.990,  12.324,  -2.478)  ( -0.989,  12.325,  -2.478)  ( 0.05,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 71       (-22.526, -19.580,  14.759)  (-22.514, -19.576,  14.763)  ( 0.05,  0.02,  0.03)
170:     bond    (-32.343, -13.094,  11.917)  (-32.332, -13.092,  11.919)  ( 0.03,  0.01,  0.01)
170:     angle   ( -3.695, -21.026, -33.117)  ( -3.694, -21.024, -33.115)  ( 0.01,  0.01,  0.01)
170:     torsion (  2.069,  -3.141,   2.162)  (  2.069,  -3.141,   2.162)  ( 0.01,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 11.442,  17.681,  33.797)  ( 11.443,  17.681,  33.797)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 72       ( 28.513,  -2.885,  23.663)  ( 28.521,  -2.883,  23.672)  ( 0.03,  0.10,  0.04)
170:     bond    ( 26.477,  -7.603,  29.522)  ( 26.483,  -7.603,  29.530)  ( 0.02,  0.00,  0.02)
170:     angle   ( 23.889,  -8.494, -23.613)  ( 23.890,  -8.492, -23.612)  ( 0.01,  0.02,  0.00)
170:     torsion (  3.479,   5.766,  -1.636)  (  3.479,   5.767,  -1.636)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-25.332,   7.445,  19.389)  (-25.331,   7.445,  19.390)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 73       (-17.606,  34.717,  -4.281)  (-17.603,  34.731,  -4.278)  ( 0.02,  0.04,  0.08)
170:     bond    ( -4.935,  45.959,  -3.462)  ( -4.935,  45.973,  -3.463)  ( 0.00,  0.03,  0.00)
170:     angle   ( 15.380,  -0.530, -28.957)  ( 15.382,  -0.530, -28.955)  ( 0.01,  0.00,  0.01)
170:     torsion ( -3.445,  -0.437,  -0.896)  ( -3.445,  -0.437,  -0.896)  ( 0.02,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-24.606, -10.275,  29.035)  (-24.605, -10.275,  29.036)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 74       (-49.166, -29.527, -81.473)  (-49.157, -29.524, -81.458)  ( 0.02,  0.01,  0.02)
170:     bond    (-44.679, -30.815, -66.485)  (-44.673, -30.812, -66.471)  ( 0.01,  0.01,  0.02)
170:     angle   ( 32.405,  13.263, -27.929)  ( 32.406,  13.263, -27.927)  ( 0.01,  0.00,  0.01)
170:     torsion (  0.186,  -0.363,   0.043)  (  0.186,  -0.363,   0.043)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-37.078, -11.611,  12.897)  (-37.076, -11.611,  12.897)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 22 # gradients 
170: ok 23 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (471.070, -527.809, 235.674)  (471.068, -527.650, 235.807)  ( 0.00,  0.03,  0.06)
170:     bond    (282.282, -338.460, 183.324)  (282.308, -338.434, 183.329)  ( 0.01,  0.01,  0.00)
170:     angle   (223.482, -162.837,  60.542)  (223.499, -162.822,  60.544)  ( 0.01,  0.01,  0.00)
170:     torsion (  6.514,  -3.017,  -7.176)  (  6.516,  -3.014,  -7.160)  ( 0.02,  0.07,  0.23)
170:     oop     (  0.299,  -0.686,  -0.777)  (  0.251,  -0.571,  -0.667)  ( 1.43,  7.90,  8.55)
170:     vdw     (-41.507, -22.810,  -0.239)  (-41.506, -22.810,  -0.239)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (-37.678, 495.727, -93.390)  (-37.527, 495.643, -93.793)  ( 0.40,  0.02,  0.43)
170:     bond    (181.430, 258.233, -39.725)  (181.458, 258.263, -39.721)  ( 0.02,  0.01,  0.01)
170:     angle   (-176.405, 185.504, -106.176)  (-176.388, 185.515, -106.173)  ( 0.01,  0.01,  0.00)
170:     torsion (-15.467,  17.518,  74.486)  (-15.466,  17.520,  74.506)  ( 0.01,  0.01,  0.03)
170:     oop     ( -0.647,   0.819,   2.707)  ( -0.545,   0.691,   2.277)  ( 6.61, 10.54, 15.86)
170:     vdw     (-26.588,  33.653, -24.682)  (-26.586,  33.653, -24.682)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       (-70.571, 413.449,  -6.654)  (-70.580, 413.518,  -6.036)  ( 0.01,  0.02,  9.28)
170:     bond    ( 24.585,  49.198,   0.771)  ( 24.613,  49.244,   0.772)  ( 0.12,  0.09,  0.05)
170:     angle   (-71.834, 356.155, -23.113)  (-71.810, 356.171, -23.113)  ( 0.03,  0.00,  0.00)
170:     torsion ( -9.725,  14.444,  21.224)  ( -9.725,  14.444,  21.230)  ( 0.00,  0.00,  0.03)
170:     oop     (  0.353,  -0.045,  -3.367)  (  0.290,  -0.039,  -2.757)  ( 2.19,  0.03, 18.12)
170:     vdw     (-13.950,  -6.302,  -2.168)  (-13.949,  -6.301,  -2.168)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       ( 67.296, 345.733, -116.832)  ( 67.465, 345.534, -117.404)  ( 0.25,  0.06,  0.49)
170:     bond    ( 20.962, 334.056, -140.328)  ( 20.991, 334.095, -140.317)  ( 0.14,  0.01,  0.01)
170:     angle   ( 51.638,  24.695,  -7.235)  ( 51.658,  24.709,  -7.233)  ( 0.04,  0.06,  0.04)
170:     torsion ( -1.442,  10.041,  17.530)  ( -1.441,  10.045,  17.545)  ( 0.04,  0.04,  0.09)
170:     oop     ( -0.714,   1.530,   3.590)  ( -0.594,   1.273,   2.990)  ( 8.56, 16.80, 16.72)
170:     vdw     ( -3.149, -24.589,   9.611)  ( -3.149, -24.588,   9.611)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (-63.482,  -7.984, -114.601)  (-63.515,  -7.856, -114.371)  ( 0.05,  1.60,  0.20)
170:     bond    (  1.526,  54.724, -23.955)  (  1.527,  54.752, -23.950)  ( 0.02,  0.05,  0.02)
170:     angle   (-57.069,  -2.678,  -9.760)  (-57.061,  -2.678,  -9.760)  ( 0.02,  0.00,  0.00)
170:     torsion ( 17.384, -39.452, -89.086)  ( 17.384, -39.451, -89.083)  ( 0.00,  0.00,  0.00)
170:     oop     (  0.236,  -0.536,  -1.211)  (  0.194,  -0.438,  -0.990)  ( 1.02,  5.24, 18.26)
170:     vdw     (-25.559, -20.041,   9.411)  (-25.558, -20.041,   9.411)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (-324.748, -239.216,  64.079)  (-324.734, -239.089,  64.310)  ( 0.00,  0.05,  0.36)
170:     bond    (-298.909, -143.325,   5.907)  (-298.880, -143.297,   5.912)  ( 0.01,  0.02,  0.09)
170:     angle   (-31.422, -42.662,  11.915)  (-31.404, -42.647,  11.917)  ( 0.06,  0.03,  0.02)
170:     torsion ( -4.860,  10.627,  20.995)  ( -4.860,  10.630,  21.019)  ( 0.01,  0.02,  0.12)
170:     oop     (  0.233,  -0.526,  -1.282)  (  0.197,  -0.445,  -1.083)  ( 0.83,  4.26, 15.52)
170:     vdw     ( 10.211, -63.330,  26.545)  ( 10.214, -63.330,  26.545)  ( 0.03,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       (-237.204, 105.160,  -7.206)  (-237.068, 105.024,  -7.751)  ( 0.06,  0.13,  7.56)
170:     bond    (-276.789, 151.802, -85.378)  (-276.753, 151.831, -85.372)  ( 0.01,  0.02,  0.01)
170:     angle   ( 62.975, -107.332,  44.691)  ( 62.994, -107.313,  44.693)  ( 0.03,  0.02,  0.00)
170:     torsion ( -8.959,   9.460,  46.715)  ( -8.959,   9.463,  46.741)  ( 0.00,  0.03,  0.06)
170:     oop     ( -0.441,   0.992,   3.150)  ( -0.362,   0.805,   2.572)  ( 3.48, 18.47, 18.37)
170:     vdw     (-13.990,  50.238, -16.384)  (-13.988,  50.238, -16.384)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       ( 12.867,  56.253,  18.035)  ( 12.903,  56.306,  18.097)  ( 0.28,  0.09,  0.34)
170:     bond    (-13.555,  39.305, -14.952)  (-13.526,  39.328, -14.949)  ( 0.21,  0.06,  0.02)
170:     angle   (  3.621,  68.824, -22.507)  (  3.631,  68.838, -22.505)  ( 0.29,  0.02,  0.01)
170:     torsion ( -4.379,  10.462,  32.449)  ( -4.379,  10.465,  32.470)  ( 0.01,  0.02,  0.06)
170:     oop     (  0.027,  -0.075,  -0.222)  (  0.023,  -0.063,  -0.185)  ( 0.01,  0.09,  0.80)
170:     vdw     ( 27.152, -62.265,  23.266)  ( 27.153, -62.263,  23.266)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (193.905, -249.150, 113.403)  (193.722, -248.655, 114.753)  ( 0.09,  0.20,  1.19)
170:     bond    (187.582, -203.883,  60.781)  (187.623, -203.848,  60.788)  ( 0.02,  0.02,  0.01)
170:     angle   (-37.635, -20.082, 257.774)  (-37.622, -20.065, 257.781)  ( 0.04,  0.08,  0.00)
170:     torsion ( 45.057, -48.667, -185.202)  ( 45.058, -48.665, -185.184)  ( 0.00,  0.00,  0.01)
170:     oop     (  1.431,  -2.502,  -7.557)  (  1.193,  -2.061,  -6.238)  (16.62, 17.62, 17.45)
170:     vdw     ( -2.531,  25.983, -12.393)  ( -2.531,  25.984, -12.393)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       ( 13.498,  89.796, -22.035)  ( 13.513,  89.914, -21.812)  ( 0.11,  0.13,  1.01)
170:     bond    ( 14.795, -92.389,  33.934)  ( 14.825, -92.367,  33.938)  ( 0.20,  0.02,  0.01)
170:     angle   ( -4.599, 137.077, -47.403)  ( -4.589, 137.093, -47.401)  ( 0.21,  0.01,  0.00)
170:     torsion ( -2.797,   6.187,  23.576)  ( -2.796,   6.190,  23.595)  ( 0.01,  0.05,  0.08)
170:     oop     (  0.141,  -0.424,  -1.088)  (  0.116,  -0.349,  -0.891)  ( 0.36,  3.18, 18.10)
170:     vdw     (  5.957,  39.344, -31.053)  (  5.958,  39.346, -31.053)  ( 0.02,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       (-264.108, -25.417, -102.288)  (-263.234, -26.150, -98.666)  ( 0.33,  2.89,  3.54)
170:     bond    (-109.904, -40.910,  -2.486)  (-109.872, -40.882,  -2.482)  ( 0.03,  0.07,  0.17)
170:     angle   (-195.311,   7.602, -92.894)  (-195.293,   7.618, -92.891)  ( 0.01,  0.22,  0.00)
170:     torsion (  9.228, -10.620,  14.738)  (  9.228, -10.617,  14.754)  ( 0.01,  0.02,  0.11)
170:     oop     ( -2.539,   2.424, -11.214)  ( -1.716,   1.642,  -7.615)  (32.39, 32.27, 32.09)
170:     vdw     ( 34.418,  16.088, -10.432)  ( 34.419,  16.089, -10.432)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (-10.655,  -5.268,  33.617)  (-10.638,  -5.289,  33.534)  ( 0.16,  0.39,  0.25)
170:     bond    ( -0.711, -13.338,   5.041)  ( -0.711, -13.325,   5.043)  ( 0.01,  0.10,  0.04)
170:     angle   (-13.750,   0.175,  -1.474)  (-13.746,   0.175,  -1.474)  ( 0.03,  0.00,  0.01)
170:     torsion ( -5.404,  15.649,  40.584)  ( -5.404,  15.650,  40.588)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.079,   0.232,   0.602)  ( -0.067,   0.198,   0.513)  ( 0.09,  0.80,  5.37)
170:     vdw     (  9.289,  -7.986, -11.136)  (  9.290,  -7.986, -11.136)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       ( 66.427, -38.297,  22.022)  ( 66.501, -38.326,  21.831)  ( 0.11,  0.08,  0.86)
170:     bond    (-74.778, 101.329, -42.944)  (-74.750, 101.356, -42.940)  ( 0.04,  0.03,  0.01)
170:     angle   (122.829, -85.985,  43.246)  (122.846, -85.974,  43.248)  ( 0.01,  0.01,  0.00)
170:     torsion ( -0.391,  -1.784,  -5.935)  ( -0.390,  -1.782,  -5.918)  ( 0.01,  0.11,  0.29)
170:     oop     ( -0.156,   0.401,   1.216)  ( -0.129,   0.331,   1.004)  ( 0.42,  2.81, 17.45)
170:     vdw     ( 18.922, -52.258,  26.438)  ( 18.925, -52.258,  26.438)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       (  3.198,   9.195,  -4.323)  (  3.204,   9.206,  -4.326)  ( 0.19,  0.12,  0.07)
170:     bond    (  0.210,  14.965,  -4.957)  (  0.211,  14.979,  -4.956)  ( 0.00,  0.09,  0.03)
170:     angle   (-14.465,  -0.365,  -1.719)  (-14.461,  -0.365,  -1.719)  ( 0.03,  0.00,  0.00)
170:     torsion (  0.130,  -0.332,  -1.002)  (  0.130,  -0.332,  -0.997)  ( 0.00,  0.02,  0.45)
170:     oop     ( -0.007,   0.018,   0.053)  ( -0.006,   0.015,   0.044)  ( 0.00,  0.01,  0.05)
170:     vdw     ( 17.329,  -5.091,   3.301)  ( 17.330,  -5.090,   3.301)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       ( 17.048, -54.468,  19.577)  ( 17.058, -54.447,  19.617)  ( 0.06,  0.04,  0.21)
170:     bond    ( 38.909, -24.186,  13.345)  ( 38.921, -24.181,  13.346)  ( 0.03,  0.02,  0.01)
170:     angle   ( 26.991,  38.282,  -9.354)  ( 26.993,  38.285,  -9.354)  ( 0.01,  0.01,  0.00)
170:     torsion (  1.051,  -2.570,  -7.725)  (  1.051,  -2.570,  -7.722)  ( 0.01,  0.01,  0.04)
170:     oop     (  0.031,  -0.077,  -0.230)  (  0.026,  -0.065,  -0.195)  ( 0.02,  0.09,  0.82)
170:     vdw     (-49.934, -65.917,  23.541)  (-49.933, -65.916,  23.542)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       (278.663,   5.967, 262.660)  (278.204,   9.369, 253.668)  ( 0.16, 57.02,  3.42)
170:     bond    (180.951,  70.243, 137.128)  (180.987,  70.270, 137.138)  ( 0.02,  0.04,  0.01)
170:     angle   ( 82.812, -42.011, 198.186)  ( 82.825, -41.995, 198.196)  ( 0.02,  0.04,  0.01)
170:     torsion ( 18.286,  -3.713, -101.874)  ( 18.286,  -3.712, -101.868)  ( 0.00,  0.03,  0.01)
170:     oop     (  1.318, -11.030,  27.670)  (  0.809,  -7.673,  18.651)  (38.58, 30.44, 32.59)
170:     vdw     ( -4.704,  -7.522,   1.551)  ( -4.704,  -7.521,   1.551)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       ( 84.082, -105.411, -282.117)  ( 84.177, -105.539, -282.518)  ( 0.11,  0.12,  0.14)
170:     bond    (-11.281, -124.452,  87.022)  (-11.271, -124.418,  87.044)  ( 0.08,  0.03,  0.02)
170:     angle   (160.110,   8.205, -361.401)  (160.118,   8.215, -361.388)  ( 0.00,  0.11,  0.00)
170:     torsion (-43.213, -25.781,   2.923)  (-43.215, -25.781,   2.925)  ( 0.01,  0.00,  0.06)
170:     oop     ( -0.470,   0.957,   2.442)  ( -0.392,   0.785,   2.004)  ( 3.68, 16.40, 17.91)
170:     vdw     (-21.064,  35.661, -13.103)  (-21.063,  35.661, -13.103)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       (-42.175, -64.158,  24.966)  (-42.160, -64.153,  24.962)  ( 0.04,  0.01,  0.02)
170:     bond    ( 13.563,  -8.815,   6.597)  ( 13.572,  -8.811,   6.599)  ( 0.07,  0.04,  0.03)
170:     angle   (-45.163, -62.520,   9.406)  (-45.161, -62.517,   9.406)  ( 0.00,  0.00,  0.00)
170:     torsion ( -4.924,   6.352,  18.603)  ( -4.924,   6.352,  18.606)  ( 0.01,  0.01,  0.02)
170:     oop     ( -0.021,   0.027,   0.078)  ( -0.018,   0.023,   0.068)  ( 0.01,  0.01,  0.08)
170:     vdw     ( -5.630,   0.799,  -9.718)  ( -5.629,   0.800,  -9.718)  ( 0.02,  0.10,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       ( 67.449, -41.898, -169.761)  ( 67.635, -43.654, -167.348)  ( 0.28,  4.19,  1.42)
170:     bond    ( 97.077, -132.695, -184.757)  ( 97.096, -132.670, -184.735)  ( 0.02,  0.02,  0.01)
170:     angle   ( 16.888,  31.742,  -3.539)  ( 16.903,  31.755,  -3.528)  ( 0.09,  0.04,  0.33)
170:     torsion (-24.977,  16.521,  -6.853)  (-24.976,  16.522,  -6.851)  ( 0.01,  0.01,  0.03)
170:     oop     ( -0.353,   5.757,  -7.625)  ( -0.205,   3.961,  -5.249)  ( 5.25, 31.20, 31.17)
170:     vdw     (-21.185,  36.777,  33.015)  (-21.184,  36.777,  33.015)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       (-42.589, 167.344, -55.096)  (-43.025, 166.640, -51.907)  ( 1.02,  0.42,  5.79)
170:     bond    (-111.773, 201.469, -32.121)  (-111.748, 201.491, -32.102)  ( 0.02,  0.01,  0.06)
170:     angle   (  5.513, -26.008, -36.202)  (  5.527, -25.993, -36.190)  ( 0.24,  0.06,  0.03)
170:     torsion ( -0.714,  -9.763,  60.169)  ( -0.713,  -9.761,  60.171)  ( 0.06,  0.02,  0.00)
170:     oop     (  1.667,   2.637,  -9.518)  (  1.190,   1.892,  -6.363)  (28.60, 28.23, 33.15)
170:     vdw     ( 62.718,  -0.991, -37.423)  ( 62.719,  -0.989, -37.423)  ( 0.00,  0.21,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       (-33.512,  23.063,  -3.966)  (-33.501,  23.071,  -3.963)  ( 0.03,  0.03,  0.09)
170:     bond    (-31.077,  20.848,  -2.732)  (-31.067,  20.852,  -2.732)  ( 0.03,  0.02,  0.00)
170:     angle   (-15.774, -26.485, -22.772)  (-15.773, -26.483, -22.770)  ( 0.01,  0.01,  0.01)
170:     torsion (  2.488,   4.108,   3.058)  (  2.488,   4.108,   3.058)  ( 0.00,  0.00,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 10.851,  24.593,  18.480)  ( 10.851,  24.594,  18.480)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       ( 10.571, -19.110,  36.550)  ( 10.574, -19.105,  36.563)  ( 0.03,  0.03,  0.04)
170:     bond    (  2.555,  -9.282,  29.641)  (  2.555,  -9.281,  29.653)  ( 0.00,  0.01,  0.04)
170:     angle   (  9.571,  -6.146,  -2.748)  (  9.573,  -6.143,  -2.747)  ( 0.03,  0.06,  0.01)
170:     torsion (  3.442, -10.375,  -3.544)  (  3.442, -10.375,  -3.544)  ( 0.02,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -4.997,   6.693,  13.201)  ( -4.997,   6.693,  13.201)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       ( 19.423,   7.923,   3.579)  ( 19.832,   8.669,  -1.831)  ( 2.10,  9.42, 151.16)
170:     bond    ( 17.215, -149.752,  27.789)  ( 17.241, -149.732,  27.807)  ( 0.15,  0.01,  0.07)
170:     angle   (  7.197,  94.829, -53.684)  (  7.210,  94.843, -53.673)  ( 0.18,  0.02,  0.02)
170:     torsion (  1.418,   9.176,   1.378)  (  1.419,   9.178,   1.380)  ( 0.04,  0.01,  0.12)
170:     oop     ( -0.780,  -1.502,  11.549)  ( -0.412,  -0.793,   6.107)  (28.72, 47.20, 47.12)
170:     vdw     ( -5.626,  55.172,  16.547)  ( -5.626,  55.173,  16.548)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       (  1.060, -29.258, -33.345)  (  1.064, -29.248, -33.337)  ( 0.43,  0.03,  0.02)
170:     bond    ( -0.887, -26.615, -23.717)  ( -0.888, -26.607, -23.711)  ( 0.01,  0.03,  0.03)
170:     angle   (-18.258,  -0.087,   0.779)  (-18.254,  -0.086,   0.780)  ( 0.02,  0.01,  0.11)
170:     torsion (  5.322,  -1.135,   1.073)  (  5.323,  -1.134,   1.074)  ( 0.01,  0.03,  0.04)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 14.883,  -1.420, -11.480)  ( 14.883,  -1.420, -11.480)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 25       ( 13.145,  18.444,  16.037)  ( 11.955,  21.723,  11.825)  ( 9.06, 17.78, 26.26)
170:     bond    (-94.231,  40.802, 117.863)  (-94.212,  40.826, 117.885)  ( 0.02,  0.06,  0.02)
170:     angle   ( 50.490,  12.886, -87.023)  ( 50.504,  12.899, -87.011)  ( 0.03,  0.10,  0.01)
170:     torsion (  8.637,  -1.660,  -3.054)  (  8.638,  -1.660,  -3.052)  ( 0.01,  0.05,  0.05)
170:     oop     (  2.615,  -6.878,   9.013)  (  1.389,  -3.638,   4.766)  (46.87, 47.11, 47.12)
170:     vdw     ( 45.634, -26.705, -20.762)  ( 45.635, -26.705, -20.762)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 26       ( 13.802,   5.192,  43.786)  ( 13.807,   5.198,  43.798)  ( 0.04,  0.10,  0.03)
170:     bond    (  5.791, -12.703,  30.382)  (  5.791, -12.701,  30.394)  ( 0.00,  0.01,  0.04)
170:     angle   (-16.364,   4.009,   4.793)  (-16.360,   4.012,   4.793)  ( 0.02,  0.05,  0.01)
170:     torsion ( -7.294,   3.616,   2.901)  ( -7.294,   3.617,   2.901)  ( 0.00,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 31.670,  10.269,   5.710)  ( 31.670,  10.270,   5.710)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 27       (-226.813, -179.102,  52.340)  (-221.922, -183.663,  68.873)  ( 2.16,  2.55, 31.59)
170:     bond    (-177.616, -107.417, -25.193)  (-177.588, -107.390, -25.182)  ( 0.02,  0.03,  0.04)
170:     angle   (-45.676, -83.275, 105.305)  (-45.666, -83.266, 105.315)  ( 0.02,  0.01,  0.01)
170:     torsion ( -6.273,  -6.860,   7.241)  ( -6.273,  -6.860,   7.242)  ( 0.01,  0.01,  0.02)
170:     oop     (-10.324,   9.769, -35.043)  ( -5.472,   5.171, -18.531)  (47.00, 47.06, 47.12)
170:     vdw     ( 13.077,   8.681,   0.030)  ( 13.077,   8.682,   0.030)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 28       (-14.391,   7.028, -45.466)  (-14.387,   7.032, -45.454)  ( 0.03,  0.07,  0.03)
170:     bond    ( -5.154,  13.357, -29.996)  ( -5.153,  13.359, -29.984)  ( 0.00,  0.02,  0.04)
170:     angle   ( -2.656,  -8.614,  -3.382)  ( -2.652,  -8.612,  -3.381)  ( 0.15,  0.02,  0.02)
170:     torsion (  3.759, -15.013,  -7.335)  (  3.759, -15.012,  -7.334)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.341,  17.298,  -4.754)  (-10.340,  17.298,  -4.754)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 29       ( -5.253,  36.842,  25.540)  ( -5.248,  36.851,  25.547)  ( 0.08,  0.03,  0.03)
170:     bond    (  2.097,  29.406,  25.397)  (  2.096,  29.414,  25.403)  ( 0.01,  0.03,  0.02)
170:     angle   ( -4.491,  -4.048,   5.055)  ( -4.486,  -4.047,   5.056)  ( 0.09,  0.03,  0.03)
170:     torsion ( -3.188,   5.779,  -6.429)  ( -3.188,   5.779,  -6.429)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.330,   5.705,   1.517)  (  0.330,   5.705,   1.517)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 30       ( 35.113, -27.798,  -3.420)  ( 35.124, -27.791,  -3.417)  ( 0.03,  0.02,  0.09)
170:     bond    ( 33.176, -19.737,   2.161)  ( 33.186, -19.733,   2.160)  ( 0.03,  0.02,  0.01)
170:     angle   ( -3.776,  -5.907,   4.053)  ( -3.775,  -5.904,   4.056)  ( 0.02,  0.05,  0.07)
170:     torsion (  0.494,   0.030,  -7.310)  (  0.494,   0.030,  -7.309)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  5.219,  -2.184,  -2.324)  (  5.219,  -2.184,  -2.324)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 31       (-17.885,  11.410, -42.928)  (-17.882,  11.416, -42.915)  ( 0.02,  0.05,  0.03)
170:     bond    ( -3.438,   9.943, -31.450)  ( -3.438,   9.945, -31.438)  ( 0.00,  0.01,  0.04)
170:     angle   (-10.542,   1.949,   1.770)  (-10.540,   1.953,   1.770)  ( 0.02,  0.18,  0.02)
170:     torsion (-10.875,   9.024,   4.044)  (-10.875,   9.025,   4.044)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  6.970,  -9.506, -17.292)  (  6.970,  -9.506, -17.291)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 32       ( 95.444,  75.761, -29.268)  ( 91.463,  76.420, -36.087)  ( 4.17,  0.87, 23.30)
170:     bond    ( 79.454,  68.430, -40.021)  ( 79.465,  68.438, -40.019)  ( 0.01,  0.01,  0.01)
170:     angle   (-13.089,   3.160, -20.582)  (-13.088,   3.162, -20.580)  ( 0.01,  0.08,  0.01)
170:     torsion (  5.630,  -0.653,  10.064)  (  5.630,  -0.653,  10.064)  ( 0.00,  0.01,  0.00)
170:     oop     (  8.489,  -1.389,  14.481)  (  4.494,  -0.740,   7.658)  (47.06, 46.69, 47.11)
170:     vdw     ( 14.961,   6.212,   6.789)  ( 14.961,   6.213,   6.789)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 33       (189.454, -110.770,  76.092)  (189.503, -110.748,  75.776)  ( 0.03,  0.02,  0.42)
170:     bond    ( -2.952, -17.848,   0.346)  ( -2.951, -17.815,   0.346)  ( 0.03,  0.18,  0.00)
170:     angle   (134.063, -21.890,  16.377)  (134.071, -21.890,  16.377)  ( 0.01,  0.00,  0.00)
170:     torsion ( -5.870,   1.961,  50.922)  ( -5.870,   1.961,  50.924)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.172,   0.057,   1.440)  ( -0.135,   0.044,   1.123)  ( 0.65,  0.07, 21.99)
170:     vdw     ( 64.385, -73.050,   7.007)  ( 64.387, -73.048,   7.006)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 34       (-114.085, -436.257,  -8.826)  (-114.031, -436.226,  -8.959)  ( 0.05,  0.01,  1.51)
170:     bond    (-43.893, -58.475,  -1.380)  (-43.862, -58.455,  -1.379)  ( 0.07,  0.03,  0.06)
170:     angle   (-17.582, -340.487,  16.912)  (-17.577, -340.471,  16.914)  ( 0.03,  0.00,  0.01)
170:     torsion (  3.958,  -1.494, -32.890)  (  3.958,  -1.494, -32.888)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.137,   0.049,   1.124)  ( -0.120,   0.043,   0.986)  ( 0.23,  0.03, 12.29)
170:     vdw     (-56.431, -35.849,   7.408)  (-56.430, -35.849,   7.408)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 35       (-145.580, 277.134, -34.469)  (-145.559, 277.149, -34.468)  ( 0.01,  0.01,  0.00)
170:     bond    ( 58.595,  46.521,   3.695)  ( 58.611,  46.531,   3.696)  ( 0.03,  0.02,  0.01)
170:     angle   (-126.434, 161.100, -23.313)  (-126.430, 161.103, -23.313)  ( 0.00,  0.00,  0.00)
170:     torsion (  0.371,  -0.199,  -3.388)  (  0.371,  -0.199,  -3.387)  ( 0.00,  0.00,  0.03)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-78.112,  69.712, -11.463)  (-78.110,  69.713, -11.464)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 36       (-187.163, -27.561,  60.499)  (-187.130, -27.545,  60.523)  ( 0.02,  0.06,  0.04)
170:     bond    ( 15.389, -25.488, -12.365)  ( 15.417, -25.476, -12.350)  ( 0.18,  0.05,  0.12)
170:     angle   (-175.348, -38.674,  66.261)  (-175.342, -38.668,  66.270)  ( 0.00,  0.01,  0.01)
170:     torsion (-31.171,  14.161,   5.951)  (-31.172,  14.159,   5.949)  ( 0.00,  0.02,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  3.967,  22.439,   0.652)  (  3.967,  22.440,   0.652)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 37       (133.139,  15.824, 156.200)  (133.159,  15.846, 156.232)  ( 0.02,  0.13,  0.02)
170:     bond    (  1.917, -24.367, -14.029)  (  1.935, -24.350, -14.008)  ( 0.91,  0.07,  0.15)
170:     angle   (106.617,   4.098, 150.618)  (106.621,   4.105, 150.629)  ( 0.00,  0.15,  0.01)
170:     torsion ( 35.985,  22.581,  18.000)  ( 35.983,  22.579,  17.999)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-11.380,  13.512,   1.610)  (-11.380,  13.513,   1.610)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 38       ( 62.861,  47.608, -92.087)  ( 62.865,  47.613, -92.079)  ( 0.01,  0.01,  0.01)
170:     bond    (-24.635,  43.305, -50.958)  (-24.634,  43.309, -50.951)  ( 0.01,  0.01,  0.01)
170:     angle   ( 70.576,   3.937, -30.777)  ( 70.578,   3.938, -30.776)  ( 0.00,  0.01,  0.00)
170:     torsion ( 21.159,  -0.459, -10.620)  ( 21.158,  -0.459, -10.620)  ( 0.00,  0.02,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -4.238,   0.825,   0.267)  ( -4.238,   0.825,   0.267)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 39       ( 19.472, -70.371, 100.393)  ( 19.480, -70.369, 100.400)  ( 0.04,  0.00,  0.01)
170:     bond    (-48.674, -18.329,  48.688)  (-48.668, -18.329,  48.694)  ( 0.01,  0.00,  0.01)
170:     angle   ( 53.644, -47.965,  35.561)  ( 53.645, -47.964,  35.563)  ( 0.00,  0.00,  0.00)
170:     torsion ( 18.791,  -9.332,  15.268)  ( 18.791,  -9.332,  15.268)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -4.289,   5.255,   0.875)  ( -4.289,   5.255,   0.875)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 40       ( -2.451,  37.590, -114.230)  ( -2.447,  37.597, -114.225)  ( 0.18,  0.02,  0.00)
170:     bond    ( 38.547,  52.842, -29.733)  ( 38.551,  52.849, -29.730)  ( 0.01,  0.01,  0.01)
170:     angle   (-35.447, -11.705, -66.772)  (-35.446, -11.705, -66.769)  ( 0.00,  0.00,  0.00)
170:     torsion ( -8.694,  -5.083, -20.310)  ( -8.695,  -5.083, -20.310)  ( 0.01,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  3.143,   1.536,   2.584)  (  3.143,   1.537,   2.584)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 41       (-53.959, -84.045,  72.544)  (-53.957, -84.043,  72.557)  ( 0.00,  0.00,  0.02)
170:     bond    ( 13.120, -10.545,  68.597)  ( 13.120, -10.545,  68.610)  ( 0.00,  0.00,  0.02)
170:     angle   (-50.377, -58.390,   0.659)  (-50.376, -58.387,   0.659)  ( 0.00,  0.00,  0.00)
170:     torsion (-20.091, -17.796,   1.107)  (-20.091, -17.796,   1.107)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  3.390,   2.685,   2.181)  (  3.390,   2.685,   2.181)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 42       ( 24.269,  89.804, -56.022)  ( 24.271,  89.808, -56.009)  ( 0.00,  0.01,  0.02)
170:     bond    ( 17.871,   1.513, -55.564)  ( 17.872,   1.513, -55.552)  ( 0.01,  0.02,  0.02)
170:     angle   ( -5.898,  61.600,  -0.220)  ( -5.897,  61.605,  -0.220)  ( 0.01,  0.01,  0.00)
170:     torsion ( 11.599,  28.029,   4.495)  ( 11.598,  28.029,   4.494)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.697,  -1.338,  -4.732)  (  0.697,  -1.338,  -4.732)  ( 0.01,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 24 # gradients 
170: ok 25 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (-105.174, -144.268, -14.253)  (-105.139, -144.236, -14.237)  ( 0.03,  0.02,  0.11)
170:     bond    ( 10.278, -33.838,  -0.603)  ( 10.305, -33.816,  -0.603)  ( 0.26,  0.06,  0.04)
170:     angle   (-116.113, -109.997, -17.391)  (-116.106, -109.987, -17.391)  ( 0.01,  0.01,  0.00)
170:     torsion ( -0.359,  -0.205,   3.663)  ( -0.358,  -0.205,   3.677)  ( 0.01,  0.00,  0.39)
170:     oop     ( -0.004,  -0.003,   0.036)  ( -0.004,  -0.003,   0.037)  ( 0.00,  0.00,  0.00)
170:     vdw     (  1.024,  -0.225,   0.043)  (  1.024,  -0.225,   0.043)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (153.731, -28.974,  22.362)  (153.756, -28.939,  22.490)  ( 0.02,  0.12,  0.57)
170:     bond    (164.318, -90.976,  13.729)  (164.344, -90.949,  13.730)  ( 0.02,  0.03,  0.01)
170:     angle   ( -2.354,  65.055,   3.163)  ( -2.344,  65.069,   3.163)  ( 0.43,  0.02,  0.01)
170:     torsion ( -0.759,  -0.446,   6.049)  ( -0.759,  -0.446,   6.069)  ( 0.02,  0.00,  0.32)
170:     oop     (  0.070,   0.034,  -0.590)  (  0.057,   0.028,  -0.483)  ( 0.09,  0.02,  6.34)
170:     vdw     ( -7.543,  -2.641,   0.012)  ( -7.543,  -2.641,   0.012)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       (-196.107,  57.985,  24.397)  (-196.048,  58.038,  24.240)  ( 0.03,  0.09,  0.64)
170:     bond    (-125.927, 114.595,  -7.662)  (-125.899, 114.622,  -7.661)  ( 0.02,  0.02,  0.02)
170:     angle   (-10.976, -97.837,  -9.535)  (-10.962, -97.823,  -9.532)  ( 0.13,  0.01,  0.02)
170:     torsion ( -4.310,  -1.339,  47.040)  ( -4.310,  -1.339,  47.053)  ( 0.00,  0.00,  0.03)
170:     oop     ( -0.106,  -0.070,   1.089)  ( -0.090,  -0.059,   0.916)  ( 0.17,  0.08, 15.84)
170:     vdw     (-54.788,  42.635,  -6.536)  (-54.787,  42.636,  -6.536)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       ( 21.003, -132.495, -21.471)  ( 21.009, -132.491, -21.075)  ( 0.03,  0.00,  1.85)
170:     bond    ( 25.927, -12.270,   1.359)  ( 25.949, -12.244,   1.360)  ( 0.09,  0.22,  0.03)
170:     angle   ( 35.206, -105.041,  15.337)  ( 35.221, -105.032,  15.339)  ( 0.04,  0.01,  0.01)
170:     torsion (  0.139,  -0.196, -37.773)  (  0.139,  -0.196, -37.760)  ( 0.00,  0.00,  0.03)
170:     oop     (  0.200,   0.174,  -2.187)  (  0.167,   0.142,  -1.805)  ( 0.66,  0.55, 17.44)
170:     vdw     (-40.469, -15.160,   1.792)  (-40.468, -15.160,   1.792)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (-36.779, -70.807, -60.582)  (-34.794, -71.395, -56.096)  ( 5.40,  0.83,  7.41)
170:     bond    ( 74.777, -164.063, -84.429)  ( 74.801, -164.041, -84.409)  ( 0.03,  0.01,  0.02)
170:     angle   (-56.723,  75.522,  43.546)  (-56.709,  75.538,  43.556)  ( 0.02,  0.02,  0.02)
170:     torsion (  3.568,  -6.797, -17.456)  (  3.568,  -6.798, -17.454)  ( 0.00,  0.01,  0.01)
170:     oop     ( -4.447,   1.389, -10.142)  ( -2.501,   0.762,  -5.688)  (43.75, 45.13, 43.92)
170:     vdw     (-53.954,  23.142,   7.899)  (-53.953,  23.143,   7.899)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       ( 69.444, 172.988, -10.700)  ( 69.471, 173.014, -10.791)  ( 0.04,  0.02,  0.85)
170:     bond    (-21.543,  30.190,  -0.859)  (-21.529,  30.205,  -0.859)  ( 0.07,  0.05,  0.02)
170:     angle   ( 91.827, 137.422,  14.678)  ( 91.830, 137.425,  14.679)  ( 0.00,  0.00,  0.01)
170:     torsion (  2.672,   2.007, -24.878)  (  2.672,   2.007, -24.874)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.069,  -0.054,   0.642)  ( -0.058,  -0.045,   0.545)  ( 0.07,  0.05,  6.20)
170:     vdw     ( -3.444,   3.422,  -0.282)  ( -3.444,   3.422,  -0.282)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       ( 54.309,  31.278,  -7.125)  ( 52.239,  30.102, -21.105)  ( 3.81,  3.76, 196.20)
170:     bond    ( 77.926,  42.082, 172.758)  ( 77.956,  42.113, 172.767)  ( 0.04,  0.07,  0.01)
170:     angle   (-64.578, -12.164, -200.161)  (-64.567, -12.152, -200.149)  ( 0.02,  0.10,  0.01)
170:     torsion (  8.066,  -4.164, -21.071)  (  8.067,  -4.164, -21.071)  ( 0.00,  0.00,  0.00)
170:     oop     (  5.072,   2.613,  31.589)  (  2.959,   1.395,  17.586)  (41.66, 46.64, 44.33)
170:     vdw     ( 27.823,   2.910,   9.761)  ( 27.824,   2.911,   9.761)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       ( -2.798,  31.950, -24.954)  ( -2.794,  31.961, -24.949)  ( 0.17,  0.04,  0.02)
170:     bond    (  0.865,  37.377, -18.440)  (  0.865,  37.389, -18.437)  ( 0.02,  0.03,  0.01)
170:     angle   ( 28.069,  -8.888, -16.708)  ( 28.073,  -8.888, -16.706)  ( 0.01,  0.01,  0.01)
170:     torsion (  2.389,  -0.908,  -1.729)  (  2.389,  -0.908,  -1.730)  ( 0.00,  0.01,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-34.121,   4.368,  11.923)  (-34.120,   4.368,  11.924)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       ( -2.250,  12.393,  41.148)  ( -2.246,  12.396,  41.161)  ( 0.19,  0.02,  0.03)
170:     bond    (  4.780,   4.268,  30.232)  (  4.780,   4.268,  30.245)  ( 0.00,  0.00,  0.04)
170:     angle   ( 16.232, -17.244,  -0.133)  ( 16.236, -17.241,  -0.133)  ( 0.02,  0.02,  0.00)
170:     torsion ( -5.400,   9.053,  -0.424)  ( -5.400,   9.053,  -0.424)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-17.862,  16.316,  11.473)  (-17.862,  16.317,  11.473)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       (  4.355, -18.419, -24.741)  (  5.319, -16.378, -20.159)  (22.12, 11.08, 18.52)
170:     bond    (-102.642, 129.702, -111.077)  (-102.623, 129.728, -111.057)  ( 0.02,  0.02,  0.02)
170:     angle   ( 75.638, -71.325,  99.210)  ( 75.652, -71.312,  99.221)  ( 0.02,  0.02,  0.01)
170:     torsion (  8.695,  -4.828, -10.298)  (  8.695,  -4.827, -10.297)  ( 0.01,  0.01,  0.01)
170:     oop     ( -2.278,  -4.478, -10.233)  ( -1.350,  -2.478,  -5.685)  (40.72, 44.66, 44.45)
170:     vdw     ( 24.943, -67.490,   7.658)  ( 24.944, -67.489,   7.658)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       ( 63.010,  99.225,  20.093)  ( 63.056,  99.274,  19.959)  ( 0.07,  0.05,  0.66)
170:     bond    ( 79.413,  99.565,  30.684)  ( 79.432,  99.585,  30.703)  ( 0.02,  0.02,  0.06)
170:     angle   ( -9.952,  30.935, -40.453)  ( -9.940,  30.948, -40.444)  ( 0.12,  0.04,  0.02)
170:     torsion ( -3.372,  -4.783,  32.081)  ( -3.372,  -4.782,  32.085)  ( 0.02,  0.02,  0.01)
170:     oop     ( -0.063,  -0.069,   0.766)  ( -0.049,  -0.054,   0.602)  ( 0.08,  0.10, 12.59)
170:     vdw     ( -3.016, -26.423,  -2.986)  ( -3.016, -26.422,  -2.986)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       ( 37.547, -27.696,   4.109)  ( 37.556, -27.688,   4.113)  ( 0.03,  0.03,  0.09)
170:     bond    ( 28.298, -24.654, -12.032)  ( 28.305, -24.649, -12.031)  ( 0.02,  0.02,  0.01)
170:     angle   ( 22.190,  33.253, -15.922)  ( 22.192,  33.255, -15.920)  ( 0.01,  0.01,  0.02)
170:     torsion ( -2.195, -14.384,  24.305)  ( -2.195, -14.384,  24.306)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.747, -21.911,   7.758)  (-10.746, -21.910,   7.758)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (-11.344,  26.770,  42.444)  (-11.341,  26.774,  42.458)  ( 0.03,  0.02,  0.03)
170:     bond    (  2.456,   2.184,  29.140)  (  2.456,   2.184,  29.154)  ( 0.00,  0.00,  0.05)
170:     angle   ( -9.382,  12.875,  -0.175)  ( -9.380,  12.879,  -0.175)  ( 0.03,  0.03,  0.00)
170:     torsion (-13.673,  31.478,  -1.206)  (-13.673,  31.478,  -1.206)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  9.254, -19.767,  14.685)  (  9.255, -19.767,  14.685)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       (-22.304,   3.401, -47.032)  (-22.301,   3.406, -47.020)  ( 0.02,  0.14,  0.03)
170:     bond    (  2.349, -14.286, -31.725)  (  2.349, -14.284, -31.714)  ( 0.00,  0.02,  0.04)
170:     angle   (  2.309,   3.874,  -1.575)  (  2.312,   3.876,  -1.575)  ( 0.13,  0.05,  0.03)
170:     torsion (-21.642,  16.962,  -9.243)  (-21.642,  16.962,  -9.243)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -5.320,  -3.149,  -4.488)  ( -5.320,  -3.149,  -4.488)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       (  4.077, -33.813,  26.813)  (  4.081, -33.804,  26.821)  ( 0.09,  0.03,  0.03)
170:     bond    ( -6.848, -27.243,  24.405)  ( -6.848, -27.236,  24.411)  ( 0.00,  0.03,  0.02)
170:     angle   (-10.498,   9.945,   8.151)  (-10.495,   9.946,   8.153)  ( 0.03,  0.01,  0.02)
170:     torsion ( 24.181, -10.781,  -5.244)  ( 24.181, -10.780,  -5.244)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -2.757,  -5.734,  -0.499)  ( -2.757,  -5.734,  -0.499)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       ( 11.733,  55.009,  10.634)  ( 11.749,  55.015,  10.625)  ( 0.13,  0.01,  0.09)
170:     bond    ( -1.222,   0.315,  -0.136)  ( -1.208,   0.316,  -0.136)  ( 1.13,  0.03,  0.00)
170:     angle   ( 14.081,  55.806,   4.778)  ( 14.081,  55.810,   4.778)  ( 0.00,  0.01,  0.00)
170:     torsion ( -0.765,  -0.332,   6.032)  ( -0.765,  -0.332,   6.036)  ( 0.01,  0.00,  0.07)
170:     oop     ( -0.007,  -0.003,   0.058)  ( -0.006,  -0.002,   0.045)  ( 0.00,  0.00,  0.08)
170:     vdw     ( -0.355,  -0.778,  -0.098)  ( -0.354,  -0.778,  -0.098)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       ( 10.482,  -3.158,   6.402)  ( 10.492,  -3.140,   6.353)  ( 0.10,  0.57,  0.76)
170:     bond    (  0.414,  -4.930,  -0.217)  (  0.414,  -4.915,  -0.217)  ( 0.01,  0.30,  0.00)
170:     angle   ( 12.011,   0.962,   1.115)  ( 12.015,   0.962,   1.115)  ( 0.03,  0.00,  0.01)
170:     torsion ( -0.601,  -0.285,   5.301)  ( -0.601,  -0.285,   5.307)  ( 0.00,  0.00,  0.10)
170:     oop     ( -0.029,  -0.013,   0.242)  ( -0.022,  -0.010,   0.188)  ( 0.02,  0.00,  1.30)
170:     vdw     ( -1.313,   1.108,  -0.039)  ( -1.312,   1.108,  -0.039)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       ( 30.780, 158.107,  64.874)  ( 30.139, 157.939,  69.869)  ( 2.08,  0.11,  7.70)
170:     bond    (-95.903,  15.782, -199.133)  (-95.875,  15.805, -199.113)  ( 0.03,  0.14,  0.01)
170:     angle   (118.197, 123.500, 291.853)  (118.211, 123.516, 291.869)  ( 0.01,  0.01,  0.01)
170:     torsion ( -3.589,  -2.850,  -0.620)  ( -3.588,  -2.848,  -0.620)  ( 0.01,  0.08,  0.03)
170:     oop     (  1.121,   0.814, -10.905)  (  0.437,   0.604,  -5.947)  (61.03, 17.03, 45.47)
170:     vdw     ( 10.954,  20.861, -16.321)  ( 10.955,  20.862, -16.320)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       (-37.631, -20.339, -59.768)  (-37.591, -20.305, -59.727)  ( 0.11,  0.17,  0.07)
170:     bond    (-19.638,  14.035,  -5.470)  (-19.621,  14.046,  -5.441)  ( 0.09,  0.08,  0.52)
170:     angle   (  2.156, -75.195, -60.635)  (  2.166, -75.187, -60.622)  ( 0.48,  0.01,  0.02)
170:     torsion (-13.317, -12.946,  -5.513)  (-13.310, -12.934,  -5.513)  ( 0.06,  0.09,  0.00)
170:     oop     ( -0.048,  -0.052,   0.010)  ( -0.045,  -0.050,   0.008)  ( 0.02,  0.01,  0.00)
170:     vdw     ( -6.784,  53.819,  11.841)  ( -6.782,  53.820,  11.841)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       (-154.713, -430.872, -83.506)  (-155.090, -430.681, -83.227)  ( 0.24,  0.04,  0.33)
170:     bond    (-41.612, -139.052,   9.393)  (-41.596, -139.020,   9.422)  ( 0.04,  0.02,  0.31)
170:     angle   (-177.794, -307.617, -108.703)  (-177.788, -307.598, -108.689)  ( 0.00,  0.01,  0.01)
170:     torsion (  9.314,   0.875,   4.567)  (  9.313,   0.875,   4.567)  ( 0.01,  0.00,  0.00)
170:     oop     (  2.243,  -0.776,  -1.306)  (  1.843,  -0.636,  -1.070)  (17.81, 10.85, 18.03)
170:     vdw     ( 53.137,  15.698,  12.543)  ( 53.138,  15.699,  12.543)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       ( 23.892, -31.275,  44.425)  ( 23.897, -31.271,  44.438)  ( 0.02,  0.01,  0.03)
170:     bond    (  3.796,   4.971,  35.728)  (  3.796,   4.971,  35.742)  ( 0.00,  0.00,  0.04)
170:     angle   ( 25.011, -40.894,   3.030)  ( 25.015, -40.891,   3.030)  ( 0.02,  0.01,  0.00)
170:     torsion ( -1.992, -20.942,   3.124)  ( -1.993, -20.942,   3.124)  ( 0.03,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -2.923,  25.590,   2.541)  ( -2.922,  25.591,   2.542)  ( 0.04,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       (-51.578,  14.808, -28.254)  (-51.561,  14.816, -28.214)  ( 0.03,  0.05,  0.14)
170:     bond    ( 21.566, -14.742,  79.018)  ( 21.583, -14.732,  79.046)  ( 0.08,  0.07,  0.04)
170:     angle   (-29.990,  22.642, -44.609)  (-29.981,  22.647, -44.598)  ( 0.03,  0.02,  0.03)
170:     torsion ( -7.402,  -9.999,   0.215)  ( -7.394,  -9.985,   0.215)  ( 0.10,  0.14,  0.00)
170:     oop     (  0.114,   0.145,  -0.000)  (  0.097,   0.123,  -0.000)  ( 0.20,  0.31,  0.00)
170:     vdw     (-35.866,  16.762, -62.877)  (-35.865,  16.763, -62.877)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       ( -9.338,  -0.423, -19.364)  ( -9.298,  -0.387, -19.323)  ( 0.42,  1.55,  0.21)
170:     bond    (-22.601,  16.510,  33.915)  (-22.583,  16.521,  33.940)  ( 0.08,  0.07,  0.07)
170:     angle   (  9.256,  -6.399,  21.189)  (  9.262,  -6.395,  21.204)  ( 0.07,  0.06,  0.07)
170:     torsion ( -3.635,  -4.954,   0.185)  ( -3.627,  -4.941,   0.185)  ( 0.21,  0.28,  0.00)
170:     oop     ( -0.037,  -0.049,  -0.001)  ( -0.030,  -0.040,  -0.000)  ( 0.02,  0.04,  0.00)
170:     vdw     (  7.680,  -5.532, -74.653)  (  7.679,  -5.532, -74.651)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       ( 14.625,  -7.992,  -3.371)  ( 14.695,  -7.915,  -3.331)  ( 0.48,  0.96,  1.18)
170:     bond    (-19.694,  14.338,  19.140)  (-19.678,  14.348,  19.169)  ( 0.08,  0.07,  0.15)
170:     angle   (-13.808,  10.641,   1.140)  (-13.800,  10.646,   1.151)  ( 0.06,  0.05,  0.92)
170:     torsion (  2.277,   2.841,   0.060)  (  2.285,   2.855,   0.060)  ( 0.34,  0.48,  0.00)
170:     oop     ( -0.215,  -0.283,  -0.004)  ( -0.179,  -0.235,  -0.003)  ( 0.77,  1.35,  0.00)
170:     vdw     ( 46.065, -35.530, -23.708)  ( 46.065, -35.529, -23.707)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 25       ( 11.032,  -8.892,   3.661)  ( 11.029,  -8.910,   3.700)  ( 0.03,  0.21,  1.08)
170:     bond    (-43.220,  33.860,  -7.922)  (-43.203,  33.871,  -7.894)  ( 0.04,  0.03,  0.35)
170:     angle   (  5.370,  -2.751, -38.560)  (  5.378,  -2.746, -38.548)  ( 0.15,  0.17,  0.03)
170:     torsion ( -1.231,  -1.470,   0.029)  ( -1.223,  -1.457,   0.029)  ( 0.66,  0.90,  0.00)
170:     oop     (  0.244,   0.314,   0.008)  (  0.207,   0.266,   0.007)  ( 0.90,  1.49,  0.00)
170:     vdw     ( 49.870, -38.844,  50.106)  ( 49.870, -38.843,  50.106)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 26       ( 35.040, -11.112,  -7.538)  ( 35.159, -10.971,  -7.494)  ( 0.34,  1.27,  0.58)
170:     bond    ( -3.115,   5.491, -146.885)  ( -3.097,   5.502, -146.863)  ( 0.59,  0.21,  0.01)
170:     angle   ( 28.451, -22.074,  68.116)  ( 28.456, -22.071,  68.132)  ( 0.02,  0.01,  0.02)
170:     torsion (  6.340,   7.205,  -0.976)  (  6.347,   7.216,  -0.976)  ( 0.10,  0.15,  0.00)
170:     oop     ( -0.524,  -0.680,  -0.024)  ( -0.436,  -0.565,  -0.020)  ( 4.64,  7.85,  0.01)
170:     vdw     (  3.888,  -1.054,  72.231)  (  3.888,  -1.054,  72.233)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 27       ( 26.429,   5.628,  15.362)  ( 26.436,   5.634,  15.371)  ( 0.03,  0.10,  0.06)
170:     bond    ( 14.560, -10.532,  14.887)  ( 14.566, -10.528,  14.894)  ( 0.04,  0.03,  0.04)
170:     angle   ( -8.953,   6.848,  13.594)  ( -8.952,   6.849,  13.596)  ( 0.01,  0.01,  0.02)
170:     torsion ( 15.921,  21.527,  -0.353)  ( 15.923,  21.530,  -0.353)  ( 0.01,  0.02,  0.00)
170:     oop     (  0.008,   0.010,  -0.000)  (  0.006,   0.009,  -0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  4.893, -12.226, -12.766)  (  4.893, -12.226, -12.766)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 28       ( -5.528,  11.974,  -8.448)  ( -5.523,  11.977,  -8.440)  ( 0.09,  0.02,  0.10)
170:     bond    (-11.891,   9.551, -11.628)  (-11.885,   9.555, -11.622)  ( 0.05,  0.04,  0.05)
170:     angle   ( -4.069,   3.054,   6.669)  ( -4.068,   3.055,   6.672)  ( 0.02,  0.02,  0.04)
170:     torsion (  3.575,   4.553,   0.087)  (  3.577,   4.556,   0.087)  ( 0.05,  0.07,  0.00)
170:     oop     (  0.025,   0.032,   0.001)  (  0.021,   0.026,   0.001)  ( 0.01,  0.02,  0.00)
170:     vdw     (  6.832,  -5.216,  -3.577)  (  6.832,  -5.216,  -3.577)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 29       ( -4.119,  18.843,  76.496)  ( -4.146,  18.806,  76.506)  ( 0.66,  0.19,  0.01)
170:     bond    ( -3.906,   1.114,  49.703)  ( -3.906,   1.113,  49.715)  ( 0.00,  0.01,  0.02)
170:     angle   (-35.531,  27.684,  -3.411)  (-35.530,  27.685,  -3.411)  ( 0.00,  0.00,  0.00)
170:     torsion ( 10.449,  13.670,   0.515)  ( 10.449,  13.671,   0.515)  ( 0.01,  0.01,  0.00)
170:     oop     (  0.184,   0.238,   0.009)  (  0.154,   0.199,   0.008)  ( 0.55,  0.93,  0.00)
170:     vdw     ( 24.685, -23.863,  29.680)  ( 24.686, -23.862,  29.681)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 30       ( -5.820,  -7.368,  15.017)  ( -5.823,  -7.374,  15.032)  ( 0.06,  0.08,  0.10)
170:     bond    ( -1.988,   1.341,  17.656)  ( -1.988,   1.342,  17.671)  ( 0.01,  0.01,  0.08)
170:     angle   (  1.111,  -0.844,   0.189)  (  1.113,  -0.843,   0.189)  ( 0.23,  0.12,  0.00)
170:     torsion ( -5.653,  -7.515,  -0.065)  ( -5.651,  -7.512,  -0.065)  ( 0.03,  0.04,  0.00)
170:     oop     (  0.049,   0.065,   0.001)  (  0.041,   0.054,   0.000)  ( 0.04,  0.07,  0.00)
170:     vdw     (  0.661,  -0.415,  -2.763)  (  0.661,  -0.415,  -2.763)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 31       (-12.539,   6.067,   5.303)  (-12.546,   6.052,   5.309)  ( 0.06,  0.25,  0.10)
170:     bond    (-12.860,   9.733,   6.528)  (-12.852,   9.738,   6.530)  ( 0.06,  0.05,  0.03)
170:     angle   (  0.009,  -0.020,   0.044)  (  0.009,  -0.020,   0.047)  ( 0.00,  0.00,  0.02)
170:     torsion ( -1.782,  -2.314,  -0.057)  ( -1.780,  -2.311,  -0.057)  ( 0.10,  0.14,  0.00)
170:     oop     (  0.107,   0.140,   0.002)  (  0.089,   0.116,   0.001)  ( 0.19,  0.33,  0.00)
170:     vdw     (  1.988,  -1.472,  -1.213)  (  1.988,  -1.472,  -1.212)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 32       (-21.475, -19.086,  14.442)  (-21.268, -19.132,  14.340)  ( 0.96,  0.24,  0.70)
170:     bond    (-28.227, -40.479, -24.358)  (-28.218, -40.461, -24.351)  ( 0.03,  0.05,  0.03)
170:     angle   ( -7.269,  20.713, -26.004)  ( -7.269,  20.716, -25.999)  ( 0.00,  0.02,  0.02)
170:     torsion (-17.297,   5.979,  10.109)  (-17.297,   5.979,  10.109)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.893,   0.309,   0.519)  ( -0.695,   0.241,   0.405)  (17.64,  2.11,  5.95)
170:     vdw     ( 32.211,  -5.608,  54.175)  ( 32.211,  -5.608,  54.176)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 33       (191.674, 529.624,  17.656)  (191.798, 529.618,  17.621)  ( 0.07,  0.00,  0.20)
170:     bond    ( 58.236, 235.285, -11.641)  ( 58.243, 235.306, -11.617)  ( 0.01,  0.01,  0.20)
170:     angle   (117.848, 263.254,  51.661)  (117.853, 263.265,  51.664)  ( 0.00,  0.00,  0.01)
170:     torsion (  7.170,  -2.214,  -3.132)  (  7.171,  -2.214,  -3.132)  ( 0.02,  0.01,  0.02)
170:     oop     ( -0.723,   0.249,   0.417)  ( -0.612,   0.211,   0.354)  ( 8.03,  0.96,  2.67)
170:     vdw     (  9.142,  33.049, -19.649)  (  9.142,  33.050, -19.648)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 34       (-95.864, -304.195, -16.249)  (-95.834, -304.157, -16.216)  ( 0.03,  0.01,  0.20)
170:     bond    ( -7.830, -283.974, 125.651)  ( -7.811, -283.947, 125.671)  ( 0.25,  0.01,  0.02)
170:     angle   (-63.048, -27.767, -86.024)  (-63.038, -27.756, -86.013)  ( 0.02,  0.04,  0.01)
170:     torsion (  2.136,  -2.699,  -6.132)  (  2.137,  -2.699,  -6.131)  ( 0.06,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-27.123,  10.246, -49.744)  (-27.122,  10.246, -49.743)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 35       (-19.068,  11.021, -38.923)  (-19.063,  11.024, -38.912)  ( 0.03,  0.03,  0.03)
170:     bond    (-21.019,  -1.122, -37.942)  (-21.016,  -1.122, -37.932)  ( 0.01,  0.02,  0.03)
170:     angle   (  3.075,  12.287,  -2.069)  (  3.076,  12.290,  -2.068)  ( 0.05,  0.03,  0.03)
170:     torsion ( -1.170,   0.310,   0.639)  ( -1.170,   0.310,   0.639)  ( 0.02,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.047,  -0.454,   0.449)  (  0.047,  -0.454,   0.449)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 36       (-16.760,  36.523,  29.211)  (-16.755,  36.531,  29.218)  ( 0.03,  0.02,  0.02)
170:     bond    (-19.545,  27.111,  25.058)  (-19.543,  27.117,  25.063)  ( 0.01,  0.02,  0.02)
170:     angle   (  8.183,  -3.579,  10.250)  (  8.185,  -3.577,  10.252)  ( 0.02,  0.06,  0.02)
170:     torsion (  3.176,   0.660,   1.763)  (  3.177,   0.660,   1.763)  ( 0.01,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.575,  12.331,  -7.860)  ( -8.574,  12.332,  -7.860)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 37       ( 47.268,  16.793,  -9.312)  ( 47.281,  16.797,  -9.309)  ( 0.03,  0.03,  0.03)
170:     bond    ( 40.819,  12.299,  -7.273)  ( 40.832,  12.300,  -7.273)  ( 0.03,  0.01,  0.00)
170:     angle   (  4.589,  -6.863,  14.160)  (  4.589,  -6.860,  14.162)  ( 0.01,  0.04,  0.01)
170:     torsion (  0.016,   0.138,   0.323)  (  0.016,   0.138,   0.323)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  1.844,  11.218, -16.522)  (  1.844,  11.218, -16.521)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 26 # gradients 
170: ok 27 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (116.287,  -8.442, -22.838)  (115.961,  -8.715, -21.215)  ( 0.28,  3.23,  7.11)
170:     bond    ( 22.087,  34.962,  11.952)  ( 22.113,  34.988,  11.955)  ( 0.12,  0.08,  0.02)
170:     angle   (165.435, -77.004,  22.812)  (165.451, -76.990,  22.815)  ( 0.01,  0.02,  0.01)
170:     torsion (  9.259,   8.251, -38.340)  (  9.260,   8.252, -38.324)  ( 0.01,  0.01,  0.04)
170:     oop     (  2.175,   1.906,  -9.509)  (  1.805,   1.591,  -7.909)  (17.02, 16.54, 16.83)
170:     vdw     (-82.669,  23.444,  -9.752)  (-82.667,  23.444,  -9.753)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (-155.800, 150.666, 267.741)  (-154.650, 151.649, 263.333)  ( 0.74,  0.65,  1.65)
170:     bond    (  9.289,  69.441,  23.457)  (  9.318,  69.474,  23.461)  ( 0.31,  0.05,  0.02)
170:     angle   (-107.245, 105.199, 110.114)  (-107.231, 105.217, 110.118)  ( 0.01,  0.02,  0.00)
170:     torsion (-32.308, -13.312,  54.815)  (-32.307, -13.311,  54.830)  ( 0.00,  0.00,  0.03)
170:     oop     ( -6.535,  -5.596,  26.451)  ( -5.431,  -4.669,  22.019)  (16.90, 16.58, 16.75)
170:     vdw     (-19.000,  -5.065,  52.904)  (-19.000,  -5.063,  52.905)  ( 0.00,  0.04,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       (-57.832,  13.874, -100.971)  (-58.268,  13.545, -99.127)  ( 0.76,  2.38,  1.83)
170:     bond    (-38.862, -10.395, -15.474)  (-38.837, -10.368, -15.471)  ( 0.07,  0.26,  0.02)
170:     angle   (-109.964, -43.953, -25.984)  (-109.949, -43.939, -25.981)  ( 0.01,  0.03,  0.01)
170:     torsion ( 21.720,  18.174, -85.176)  ( 21.721,  18.175, -85.164)  ( 0.00,  0.00,  0.01)
170:     oop     (  2.730,   2.131, -10.332)  (  2.250,   1.759,  -8.506)  (17.57, 17.48, 17.67)
170:     vdw     ( 66.545,  47.917,  35.994)  ( 66.546,  47.918,  35.994)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       (184.459, -239.482, -29.973)  (184.508, -239.437, -29.957)  ( 0.03,  0.02,  0.06)
170:     bond    (-32.139,   7.417,  -7.582)  (-32.111,   7.449,  -7.577)  ( 0.09,  0.43,  0.06)
170:     angle   (144.581, -202.810, -20.798)  (144.599, -202.798, -20.794)  ( 0.01,  0.01,  0.02)
170:     torsion ( -1.634,  -4.597,  -9.079)  ( -1.633,  -4.596,  -9.069)  ( 0.06,  0.02,  0.11)
170:     oop     ( -0.003,  -0.005,   0.035)  ( -0.004,  -0.005,   0.033)  ( 0.00,  0.00,  0.01)
170:     vdw     ( 73.655, -39.487,   7.449)  ( 73.657, -39.486,   7.449)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (-72.114, 270.082, 106.351)  (-72.064, 270.118, 106.344)  ( 0.07,  0.01,  0.01)
170:     bond    ( 18.507,  66.722,  22.387)  ( 18.545,  66.737,  22.391)  ( 0.21,  0.02,  0.02)
170:     angle   (-58.001, 253.644,  45.410)  (-57.997, 253.659,  45.411)  ( 0.01,  0.01,  0.00)
170:     torsion (-14.088, -14.246,  55.093)  (-14.087, -14.246,  55.103)  ( 0.00,  0.01,  0.02)
170:     oop     ( -0.043,  -0.038,   0.154)  ( -0.037,  -0.032,   0.132)  ( 0.03,  0.02,  0.34)
170:     vdw     (-18.489, -36.000, -16.693)  (-18.488, -35.999, -16.693)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (-144.386, -274.299, -65.742)  (-144.318, -274.236, -65.806)  ( 0.05,  0.02,  0.10)
170:     bond    ( 24.508, -14.699,   2.276)  ( 24.539, -14.671,   2.278)  ( 0.13,  0.19,  0.12)
170:     angle   (-110.762, -191.038, -70.306)  (-110.747, -191.026, -70.305)  ( 0.01,  0.01,  0.00)
170:     torsion ( -6.352,  -6.639,  30.953)  ( -6.351,  -6.638,  30.969)  ( 0.01,  0.01,  0.05)
170:     oop     ( -0.117,  -0.124,   0.529)  ( -0.098,  -0.104,   0.445)  ( 0.22,  0.25,  4.46)
170:     vdw     (-51.662, -61.799, -29.194)  (-51.661, -61.798, -29.193)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       (122.317, 204.297,  91.404)  (122.354, 204.333,  91.400)  ( 0.03,  0.02,  0.00)
170:     bond    (-59.287,  40.804, -39.722)  (-59.267,  40.822, -39.705)  ( 0.03,  0.04,  0.04)
170:     angle   (169.152, 160.163, 141.143)  (169.162, 160.174, 141.153)  ( 0.01,  0.01,  0.01)
170:     torsion ( 11.730,  31.489,  -2.761)  ( 11.730,  31.488,  -2.760)  ( 0.00,  0.00,  0.02)
170:     oop     ( -0.052,  -0.048,   0.202)  ( -0.044,  -0.041,   0.170)  ( 0.04,  0.04,  0.63)
170:     vdw     (  0.773, -28.111,  -7.459)  (  0.773, -28.110,  -7.459)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (203.160, -45.288, -431.202)  (202.847, -45.562, -429.849)  ( 0.15,  0.61,  0.31)
170:     bond    ( 95.715,  18.633, -250.426)  ( 95.719,  18.665, -250.410)  ( 0.00,  0.17,  0.01)
170:     angle   (101.532, -91.827, -165.456)  (101.541, -91.824, -165.450)  ( 0.01,  0.00,  0.00)
170:     torsion ( 13.941,   3.202,  -5.164)  ( 13.941,   3.202,  -5.161)  ( 0.00,  0.01,  0.05)
170:     oop     (  2.059,   1.964,  -8.438)  (  1.732,   1.654,  -7.110)  (15.90, 15.77, 15.74)
170:     vdw     (-10.088,  22.740,  -1.718)  (-10.086,  22.741,  -1.718)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (-119.586,  -4.170, 306.701)  (-119.558,  -4.136, 306.738)  ( 0.02,  0.82,  0.01)
170:     bond    (-74.362, -193.521, 251.137)  (-74.343, -193.499, 251.163)  ( 0.03,  0.01,  0.01)
170:     angle   (-42.941, 160.865,  63.012)  (-42.932, 160.877,  63.023)  ( 0.02,  0.01,  0.02)
170:     torsion (  3.312,   2.617,   2.887)  (  3.313,   2.617,   2.887)  ( 0.01,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -5.595,  25.869, -10.335)  ( -5.595,  25.869, -10.335)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       (  1.128, -17.670,   8.275)  (  1.188, -17.614,   8.174)  ( 5.31,  0.31,  1.23)
170:     bond    (-74.691, -54.906, -31.978)  (-74.672, -54.888, -31.960)  ( 0.03,  0.03,  0.06)
170:     angle   ( 57.560,  23.646,  21.495)  ( 57.570,  23.656,  21.502)  ( 0.02,  0.04,  0.03)
170:     torsion ( -0.752,  -2.541,   6.822)  ( -0.753,  -2.542,   6.822)  ( 0.05,  0.04,  0.01)
170:     oop     ( -0.164,  -0.141,   0.673)  ( -0.133,  -0.114,   0.545)  ( 0.51,  0.38,  8.62)
170:     vdw     ( 19.175,  16.273,  11.263)  ( 19.176,  16.274,  11.263)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       (  7.300, -10.594,  -0.715)  (  7.342, -10.551,  -0.744)  ( 0.59,  0.40,  2.08)
170:     bond    ( 70.242, -27.806,  10.923)  ( 70.262, -27.788,  10.941)  ( 0.03,  0.06,  0.17)
170:     angle   (-42.172,  23.429,  -1.074)  (-42.163,  23.439,  -1.067)  ( 0.02,  0.04,  0.67)
170:     torsion (  0.776,   0.111,  -5.336)  (  0.776,   0.112,  -5.332)  ( 0.02,  0.01,  0.06)
170:     oop     ( -0.068,  -0.069,   0.306)  ( -0.055,  -0.056,   0.248)  ( 0.09,  0.09,  1.78)
170:     vdw     (-21.478,  -6.259,  -5.534)  (-21.477,  -6.258,  -5.534)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (-347.962, -83.970, -34.862)  (-347.919, -83.904, -34.737)  ( 0.01,  0.08,  0.36)
170:     bond    (-95.159,  57.313, -18.541)  (-95.123,  57.343, -18.539)  ( 0.04,  0.05,  0.01)
170:     angle   (-217.544, -227.821,   8.524)  (-217.526, -227.800,   8.524)  ( 0.01,  0.01,  0.00)
170:     torsion (  0.732,  -1.049,  -7.161)  (  0.733,  -1.048,  -7.131)  ( 0.03,  0.07,  0.43)
170:     oop     (  0.065,  -0.091,  -0.610)  (  0.054,  -0.078,  -0.517)  ( 0.07,  0.12,  5.67)
170:     vdw     (-36.057,  87.678, -17.073)  (-36.056,  87.680, -17.073)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (-47.159,   1.404,  -6.248)  (-47.121,   1.446,  -6.216)  ( 0.08,  2.99,  0.52)
170:     bond    (  4.431, -78.812,  12.662)  (  4.458, -78.785,  12.664)  ( 0.61,  0.03,  0.01)
170:     angle   (-82.462,  46.267, -15.546)  (-82.451,  46.280, -15.546)  ( 0.01,  0.03,  0.00)
170:     torsion (  0.144,  -0.241,  -1.412)  (  0.144,  -0.240,  -1.388)  ( 0.00,  0.01,  1.66)
170:     oop     ( -0.002,   0.003,   0.018)  ( -0.003,   0.004,   0.025)  ( 0.00,  0.00,  0.01)
170:     vdw     ( 30.730,  34.187,  -1.971)  ( 30.731,  34.188,  -1.971)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       ( 96.852,   4.630,   8.342)  ( 96.892,   4.670,   8.379)  ( 0.04,  0.87,  0.43)
170:     bond    (-81.099, -19.893,  -5.762)  (-81.075, -19.864,  -5.760)  ( 0.03,  0.15,  0.03)
170:     angle   ( 84.801,  33.466,   4.032)  ( 84.815,  33.475,   4.033)  ( 0.02,  0.03,  0.01)
170:     torsion (  0.104,  -0.149,  -0.999)  (  0.104,  -0.149,  -0.979)  ( 0.00,  0.01,  2.05)
170:     oop     (  0.008,  -0.012,  -0.078)  (  0.007,  -0.010,  -0.064)  ( 0.00,  0.00,  0.10)
170:     vdw     ( 93.038,  -8.781,  11.149)  ( 93.040,  -8.782,  11.149)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       ( 24.690, -95.271,  15.467)  ( 24.730, -95.231,  15.482)  ( 0.16,  0.04,  0.10)
170:     bond    ( -7.132,  82.507, -13.213)  ( -7.103,  82.532, -13.212)  ( 0.40,  0.03,  0.01)
170:     angle   ( -4.266, -90.118,  13.138)  ( -4.256, -90.105,  13.138)  ( 0.23,  0.01,  0.00)
170:     torsion (  0.185,  -0.262,  -1.771)  (  0.185,  -0.261,  -1.751)  ( 0.00,  0.01,  1.16)
170:     oop     ( -0.005,   0.007,   0.047)  ( -0.004,   0.006,   0.039)  ( 0.00,  0.00,  0.04)
170:     vdw     ( 35.908, -87.405,  17.267)  ( 35.909, -87.403,  17.267)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       (-14.226,  47.407,  -7.376)  (-14.186,  47.450,  -7.339)  ( 0.27,  0.09,  0.50)
170:     bond    ( 79.107,  23.236,   4.878)  ( 79.134,  23.262,   4.880)  ( 0.03,  0.11,  0.03)
170:     angle   (-66.419,  62.051, -14.039)  (-66.406,  62.063, -14.039)  ( 0.02,  0.02,  0.00)
170:     torsion (  0.056,  -0.204,  -1.211)  (  0.056,  -0.203,  -1.189)  ( 0.00,  0.01,  1.85)
170:     oop     ( -0.002,   0.001,   0.008)  ( -0.003,   0.003,   0.021)  ( 0.00,  0.00,  0.01)
170:     vdw     (-26.968, -37.677,   2.988)  (-26.968, -37.676,   2.988)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       (-39.515, 382.680, -63.790)  (-39.454, 382.721, -63.819)  ( 0.16,  0.01,  0.04)
170:     bond    (-133.796,  87.788, -25.421)  (-133.762,  87.821, -25.419)  ( 0.03,  0.04,  0.01)
170:     angle   (188.007, 285.937, -24.977)  (188.027, 285.953, -24.977)  ( 0.01,  0.01,  0.00)
170:     torsion (  0.382,  -0.385,  -2.583)  (  0.383,  -0.384,  -2.558)  ( 0.01,  0.02,  0.99)
170:     oop     ( -0.021,   0.035,   0.233)  ( -0.016,   0.027,   0.176)  ( 0.01,  0.03,  1.31)
170:     vdw     (-94.088,   9.305, -11.042)  (-94.085,   9.305, -11.042)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       (212.966, -78.853,  86.599)  (213.063, -78.852,  86.189)  ( 0.05,  0.00,  0.47)
170:     bond    ( 32.722, -204.290,  33.509)  ( 32.759, -204.250,  33.510)  ( 0.11,  0.02,  0.00)
170:     angle   (159.584, 163.634, -10.633)  (159.597, 163.653, -10.632)  ( 0.01,  0.01,  0.01)
170:     torsion ( -5.949,   8.499,  59.353)  ( -5.949,   8.500,  59.376)  ( 0.00,  0.01,  0.04)
170:     oop     ( -0.214,   0.297,   2.136)  ( -0.168,   0.239,   1.700)  ( 0.99,  1.74, 20.41)
170:     vdw     ( 26.823, -46.995,   2.235)  ( 26.824, -46.994,   2.235)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       (1019.396, 300.440,  81.714)  (1019.454, 300.455,  81.497)  ( 0.01,  0.00,  0.27)
170:     bond    (111.633,   0.358,   7.479)  (111.661,   0.396,   7.479)  ( 0.03,  1.35,  0.00)
170:     angle   (888.998, 300.890,  82.517)  (889.014, 300.903,  82.518)  ( 0.00,  0.00,  0.00)
170:     torsion ( -0.754,   0.132,   4.980)  ( -0.754,   0.133,   4.992)  ( 0.00,  0.00,  0.25)
170:     oop     ( -0.014,   0.046,   0.300)  ( -0.002,   0.010,   0.069)  ( 0.02,  0.17,  6.96)
170:     vdw     ( 19.534,  -0.986, -13.562)  ( 19.534,  -0.986, -13.562)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       (-388.615, -447.620,  27.265)  (-388.593, -447.552,  27.475)  ( 0.01,  0.02,  0.77)
170:     bond    (187.005, -176.800,  44.071)  (187.029, -176.769,  44.073)  ( 0.01,  0.02,  0.00)
170:     angle   (-578.131, -267.848,  -1.152)  (-578.119, -267.841,  -1.153)  ( 0.00,  0.00,  0.03)
170:     torsion (  0.858,  -2.027, -13.278)  (  0.858,  -2.026, -13.269)  ( 0.01,  0.01,  0.06)
170:     oop     (  0.040,  -0.081,  -0.537)  (  0.027,  -0.051,  -0.337)  ( 0.05,  0.25, 10.76)
170:     vdw     (  1.612,  -0.864,  -1.840)  (  1.612,  -0.864,  -1.840)  ( 0.01,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       (-794.623, -314.468, -466.439)  (-794.605, -314.423, -466.288)  ( 0.00,  0.01,  0.03)
170:     bond    (-161.101,   6.643, -48.436)  (-161.085,   6.666, -48.428)  ( 0.01,  0.34,  0.02)
170:     angle   (-581.286, -318.955, -397.058)  (-581.278, -318.953, -397.054)  ( 0.00,  0.00,  0.00)
170:     torsion (  3.410,  -0.722, -12.178)  (  3.410,  -0.722, -12.176)  ( 0.00,  0.01,  0.02)
170:     oop     (  0.022,  -0.047,  -0.324)  (  0.014,  -0.027,  -0.187)  ( 0.02,  0.10,  4.46)
170:     vdw     (-55.668,  -1.388,  -8.443)  (-55.666,  -1.388,  -8.443)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       (-105.736, 234.763, 265.708)  (-105.719, 234.782, 265.709)  ( 0.02,  0.01,  0.00)
170:     bond    ( 86.180, 110.253,  19.659)  ( 86.189, 110.267,  19.659)  ( 0.01,  0.01,  0.00)
170:     angle   ( 55.099, -87.896, 251.431)  ( 55.101, -87.895, 251.433)  ( 0.00,  0.00,  0.00)
170:     torsion ( -1.509,   0.859,   1.795)  ( -1.509,   0.859,   1.795)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-245.506, 211.547,  -7.177)  (-245.500, 211.551,  -7.178)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       (-22.924,  48.489,   2.238)  (-22.916,  48.496,   2.254)  ( 0.03,  0.01,  0.74)
170:     bond    ( 13.208,  12.111,   5.841)  ( 13.216,  12.117,   5.843)  ( 0.06,  0.05,  0.03)
170:     angle   (-43.891,  47.393,   0.985)  (-43.889,  47.395,   0.985)  ( 0.01,  0.00,  0.01)
170:     torsion (  0.664,   0.643,  -2.841)  (  0.664,   0.644,  -2.838)  ( 0.01,  0.01,  0.12)
170:     oop     (  0.018,   0.019,  -0.080)  (  0.016,   0.016,  -0.069)  ( 0.00,  0.01,  0.09)
170:     vdw     (  7.076, -11.676,  -1.667)  (  7.077, -11.676,  -1.667)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       ( -7.837, -44.589,   4.424)  ( -7.833, -44.576,   4.426)  ( 0.06,  0.03,  0.05)
170:     bond    ( -6.253, -34.723,   4.129)  ( -6.253, -34.710,   4.129)  ( 0.00,  0.04,  0.00)
170:     angle   ( -4.590,   0.221,  -5.090)  ( -4.587,   0.221,  -5.088)  ( 0.07,  0.00,  0.05)
170:     torsion (  0.281,  -1.964, -16.082)  (  0.280,  -1.964, -16.083)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  2.725,  -8.123,  21.468)  (  2.726,  -8.123,  21.468)  ( 0.04,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 25       (  6.785, -15.171,  48.550)  (  6.791, -15.167,  48.560)  ( 0.08,  0.03,  0.02)
170:     bond    ( 22.381,  13.458,  37.096)  ( 22.384,  13.459,  37.105)  ( 0.01,  0.01,  0.02)
170:     angle   (-15.995,  32.011,  -1.965)  (-15.993,  32.013,  -1.964)  ( 0.01,  0.01,  0.04)
170:     torsion ( -6.680, -21.602,  11.866)  ( -6.681, -21.603,  11.866)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  7.079, -39.037,   1.553)  (  7.080, -39.036,   1.553)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 26       ( 21.953, -18.144, -48.857)  ( 21.956, -18.136, -48.846)  ( 0.01,  0.04,  0.02)
170:     bond    (  8.565, -18.256, -28.608)  (  8.566, -18.252, -28.599)  ( 0.01,  0.02,  0.03)
170:     angle   ( -5.074, -43.418,  26.189)  ( -5.072, -43.416,  26.189)  ( 0.03,  0.01,  0.00)
170:     torsion (  9.100,  -0.002,   2.727)  (  9.100,  -0.002,   2.727)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  9.362,  43.533, -49.165)  (  9.362,  43.534, -49.164)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 27       (-32.837,  20.876, -23.101)  (-32.827,  20.882, -23.098)  ( 0.03,  0.03,  0.02)
170:     bond    (-33.689,  24.661,  -9.207)  (-33.681,  24.666,  -9.207)  ( 0.03,  0.02,  0.00)
170:     angle   (  4.466,   3.179,  -7.826)  (  4.467,   3.180,  -7.823)  ( 0.03,  0.05,  0.04)
170:     torsion ( -3.400,  -6.881,  -5.998)  ( -3.400,  -6.881,  -5.998)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.214,  -0.083,  -0.070)  ( -0.214,  -0.083,  -0.070)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 28       ( 29.459,  32.359,   5.387)  ( 29.468,  32.365,   5.391)  ( 0.03,  0.02,  0.08)
170:     bond    ( 32.279,  25.004,  10.637)  ( 32.287,  25.009,  10.638)  ( 0.02,  0.02,  0.01)
170:     angle   (  2.262,  -0.130,  -6.570)  (  2.263,  -0.129,  -6.566)  ( 0.04,  0.02,  0.05)
170:     torsion ( -4.847,   5.257,   2.351)  ( -4.847,   5.257,   2.351)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.236,   2.228,  -1.031)  ( -0.236,   2.228,  -1.031)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 29       ( 23.800,  -9.730,  23.722)  ( 23.807,  -9.723,  23.727)  ( 0.03,  0.07,  0.02)
170:     bond    ( 31.491, -22.473,  25.990)  ( 31.497, -22.470,  25.994)  ( 0.02,  0.01,  0.02)
170:     angle   (-10.048, -31.603, -15.144)  (-10.047, -31.601, -15.143)  ( 0.01,  0.01,  0.01)
170:     torsion ( -0.676,   0.286,   1.067)  ( -0.676,   0.286,   1.066)  ( 0.01,  0.00,  0.05)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  3.033,  44.061,  11.809)  (  3.033,  44.062,  11.809)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 30       ( 15.633,  15.357, -37.055)  ( 15.637,  15.361, -37.045)  ( 0.03,  0.02,  0.03)
170:     bond    ( 19.159,  16.724, -32.895)  ( 19.161,  16.726, -32.887)  ( 0.01,  0.01,  0.03)
170:     angle   ( -3.819,  -4.250,  -4.386)  ( -3.817,  -4.248,  -4.385)  ( 0.05,  0.04,  0.03)
170:     torsion ( -1.276,   1.541,   0.040)  ( -1.276,   1.540,   0.040)  ( 0.02,  0.03,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  1.569,   1.342,   0.187)  (  1.569,   1.342,   0.187)  ( 0.01,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 31       (-19.753,  28.914,  24.017)  (-19.748,  28.922,  24.022)  ( 0.02,  0.03,  0.02)
170:     bond    (-13.995,  29.540,  23.071)  (-13.993,  29.547,  23.075)  ( 0.01,  0.03,  0.02)
170:     angle   (-27.081,  -2.299, -13.480)  (-27.079,  -2.298, -13.479)  ( 0.01,  0.04,  0.01)
170:     torsion (  0.414,  -1.810,   2.570)  (  0.414,  -1.810,   2.569)  ( 0.00,  0.01,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 20.909,   3.483,  11.857)  ( 20.910,   3.483,  11.857)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 32       (-22.297, -33.757, -28.551)  (-22.289, -33.748, -28.549)  ( 0.03,  0.03,  0.01)
170:     bond    (-25.733, -29.234,  -5.362)  (-25.727, -29.226,  -5.362)  ( 0.02,  0.03,  0.00)
170:     angle   ( 19.085, -16.487,  -1.723)  ( 19.086, -16.485,  -1.721)  ( 0.01,  0.01,  0.11)
170:     torsion (  3.333,   1.004, -21.468)  (  3.333,   1.004, -21.468)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-18.982,  10.960,   0.002)  (-18.982,  10.960,   0.002)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 33       (-12.011,   7.338,  43.758)  (-12.007,   7.343,  43.768)  ( 0.03,  0.07,  0.02)
170:     bond    (-11.801,  20.330,  32.128)  (-11.800,  20.334,  32.137)  ( 0.01,  0.02,  0.03)
170:     angle   ( 16.633,   4.884,   3.016)  ( 16.635,   4.886,   3.016)  ( 0.01,  0.03,  0.03)
170:     torsion ( -7.580, -17.156,   8.071)  ( -7.580, -17.155,   8.072)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -9.262,  -0.721,   0.543)  ( -9.262,  -0.721,   0.543)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 34       ( 11.313,  44.694, -21.813)  ( 11.315,  44.701, -21.804)  ( 0.02,  0.01,  0.04)
170:     bond    ( -1.579,  24.927, -33.437)  ( -1.579,  24.932, -33.428)  ( 0.01,  0.02,  0.03)
170:     angle   ( 11.630,   2.486,   1.305)  ( 11.633,   2.487,   1.306)  ( 0.02,  0.05,  0.05)
170:     torsion (  4.701,  17.021,  12.473)  (  4.701,  17.021,  12.473)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.440,   0.260,  -2.154)  ( -3.440,   0.260,  -2.154)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 35       ( -0.828,  -5.232,  -0.655)  ( -0.821,  -5.219,  -0.641)  ( 0.59,  0.24,  0.91)
170:     bond    ( -3.744,  -5.083,   0.375)  ( -3.739,  -5.074,   0.375)  ( 0.14,  0.19,  0.00)
170:     angle   (  2.261,  -1.631,   0.531)  (  2.264,  -1.629,   0.531)  ( 0.12,  0.08,  0.00)
170:     torsion (  0.141,  -0.201,  -1.325)  (  0.141,  -0.201,  -1.320)  ( 0.00,  0.00,  0.39)
170:     oop     (  0.005,  -0.007,  -0.043)  (  0.004,  -0.005,  -0.034)  ( 0.00,  0.00,  0.04)
170:     vdw     (  0.510,   1.690,  -0.193)  (  0.510,   1.690,  -0.193)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 36       (-26.249,   5.898,  -5.175)  (-26.234,   5.903,  -5.171)  ( 0.06,  0.07,  0.08)
170:     bond    (-29.191,   3.711,  -3.730)  (-29.177,   3.711,  -3.730)  ( 0.05,  0.01,  0.01)
170:     angle   (  0.259,   1.789,  -0.245)  (  0.259,   1.793,  -0.245)  ( 0.00,  0.22,  0.00)
170:     torsion (  0.150,  -0.213,  -1.393)  (  0.150,  -0.213,  -1.388)  ( 0.00,  0.00,  0.34)
170:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.006)  ( 0.00,  0.00,  0.00)
170:     vdw     (  2.534,   0.611,   0.186)  (  2.534,   0.612,   0.186)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 37       (-14.760,  22.916,  -4.947)  (-14.755,  22.930,  -4.936)  ( 0.04,  0.06,  0.22)
170:     bond    (-12.077,  26.778,  -5.388)  (-12.074,  26.791,  -5.387)  ( 0.02,  0.05,  0.01)
170:     angle   ( -2.847,  -1.306,  -0.117)  ( -2.843,  -1.305,  -0.117)  ( 0.12,  0.05,  0.00)
170:     torsion ( -0.021,   0.028,   0.184)  ( -0.021,   0.028,   0.189)  ( 0.00,  0.00,  0.09)
170:     oop     (  0.004,  -0.005,  -0.036)  (  0.003,  -0.005,  -0.030)  ( 0.00,  0.00,  0.02)
170:     vdw     (  0.181,  -2.579,   0.409)  (  0.181,  -2.579,   0.409)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 38       (  1.676,   4.570,   2.504)  (  1.683,   4.583,   2.523)  ( 0.40,  0.29,  0.76)
170:     bond    (  3.709,   4.859,  -0.358)  (  3.715,   4.869,  -0.358)  ( 0.15,  0.19,  0.00)
170:     angle   ( -0.235,   0.177,   0.010)  ( -0.232,   0.178,   0.010)  ( 0.06,  0.02,  0.00)
170:     torsion ( -0.300,   0.446,   2.942)  ( -0.300,   0.446,   2.947)  ( 0.00,  0.01,  0.18)
170:     oop     (  0.007,  -0.011,  -0.070)  (  0.006,  -0.009,  -0.056)  ( 0.00,  0.00,  0.10)
170:     vdw     ( -1.505,  -0.901,  -0.020)  ( -1.505,  -0.901,  -0.020)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 39       (346.901, -95.929, -20.455)  (346.888, -95.873, -20.204)  ( 0.00,  0.06,  1.23)
170:     bond    ( 22.848,  82.013,  -8.313)  ( 22.850,  82.033,  -8.313)  ( 0.01,  0.02,  0.00)
170:     angle   ( 43.123, -11.220,   7.821)  ( 43.127, -11.220,   7.821)  ( 0.01,  0.00,  0.00)
170:     torsion (  2.724,  -3.366, -25.736)  (  2.724,  -3.366, -25.730)  ( 0.00,  0.00,  0.02)
170:     oop     (  0.108,  -0.137,  -1.058)  (  0.082,  -0.105,  -0.811)  ( 0.28,  0.44, 23.28)
170:     vdw     (278.098, -163.217,   6.830)  (278.106, -163.215,   6.829)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 28 # gradients 
170: ok 29 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (-163.075, -474.890, -57.206)  (-163.047, -474.859, -57.180)  ( 0.02,  0.01,  0.04)
170:     bond    ( 10.155,  19.969,   0.323)  ( 10.175,  19.991,   0.338)  ( 0.19,  0.11,  0.49)
170:     angle   (-166.513, -477.310, -56.180)  (-166.506, -477.302, -56.172)  ( 0.00,  0.00,  0.01)
170:     torsion (  7.010,  -4.799,  10.158)  (  7.011,  -4.798,  10.160)  ( 0.02,  0.02,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-13.727, -12.750, -11.507)  (-13.727, -12.750, -11.507)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (-185.923,  62.793, 314.602)  (-185.888,  62.822, 314.635)  ( 0.02,  0.05,  0.01)
170:     bond    ( 28.291, -13.551,   9.130)  ( 28.313, -13.535,   9.151)  ( 0.08,  0.11,  0.23)
170:     angle   (-187.741,  52.878, 312.514)  (-187.730,  52.889, 312.523)  ( 0.01,  0.02,  0.00)
170:     torsion (-17.771,  15.168,  -1.323)  (-17.770,  15.170,  -1.320)  ( 0.01,  0.02,  0.21)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.702,   8.298,  -5.719)  ( -8.702,   8.298,  -5.719)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       (145.042, 279.559, -217.864)  (145.366, 274.911, -220.980)  ( 0.22,  1.66,  1.43)
170:     bond    (-10.523, -16.759,  19.236)  (-10.498, -16.741,  19.252)  ( 0.24,  0.11,  0.08)
170:     angle   (141.977,  95.083, -322.895)  (141.986,  95.092, -322.885)  ( 0.01,  0.01,  0.00)
170:     torsion ( 12.311, 190.496,  93.133)  ( 12.311, 190.498,  93.135)  ( 0.00,  0.00,  0.00)
170:     oop     ( -1.275,   9.366,   7.168)  ( -0.986,   4.689,   4.023)  (22.68, 49.94, 43.87)
170:     vdw     (  2.553,   1.373, -14.505)  (  2.553,   1.373, -14.505)  ( 0.01,  0.02,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       (-11.121, 280.261, 332.746)  (-11.095, 280.289, 332.776)  ( 0.24,  0.01,  0.01)
170:     bond    (  3.052, -16.442,  -9.180)  (  3.067, -16.423,  -9.158)  ( 0.51,  0.11,  0.24)
170:     angle   (-10.957, 275.042, 333.586)  (-10.947, 275.050, 333.593)  ( 0.08,  0.00,  0.00)
170:     torsion (  2.849,   6.311,  -2.954)  (  2.851,   6.313,  -2.954)  ( 0.06,  0.03,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -6.066,  15.350,  11.294)  ( -6.066,  15.350,  11.295)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (-407.180, -1026.420, -543.624)  (-403.176, -1014.002, -526.936)  ( 0.98,  1.21,  3.07)
170:     bond    ( 44.303, -89.317, -58.711)  ( 44.329, -89.299, -58.699)  ( 0.06,  0.02,  0.02)
170:     angle   (-180.234, -528.382, 114.838)  (-180.225, -528.371, 114.849)  ( 0.01,  0.00,  0.01)
170:     torsion (-216.277, -471.062, -553.300)  (-216.275, -471.062, -553.302)  ( 0.00,  0.00,  0.00)
170:     oop     ( -9.806, -26.602, -41.203)  ( -5.841, -14.216, -24.535)  (40.44, 46.56, 40.45)
170:     vdw     (-45.164,  88.944,  -5.248)  (-45.164,  88.946,  -5.248)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (561.543, 698.044, 129.649)  (556.715, 692.073, 124.218)  ( 0.86,  0.86,  4.19)
170:     bond    (-28.103, -57.233,  82.338)  (-28.077, -57.213,  82.346)  ( 0.09,  0.04,  0.01)
170:     angle   (281.089, 416.870, -172.124)  (281.096, 416.881, -172.117)  ( 0.00,  0.00,  0.00)
170:     torsion (240.406, 261.628, 254.450)  (240.408, 261.630, 254.450)  ( 0.00,  0.00,  0.00)
170:     oop     ( 14.615,  15.383,  18.011)  (  9.750,   9.378,  12.564)  (33.29, 39.04, 30.25)
170:     vdw     ( 53.537,  61.395, -53.026)  ( 53.537,  61.396, -53.025)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       (-662.354, -111.205, 141.994)  (-657.360, -112.857, 138.909)  ( 0.75,  1.49,  2.17)
170:     bond    (-168.069, -26.034,   8.805)  (-168.042, -26.012,   8.811)  ( 0.02,  0.09,  0.07)
170:     angle   (-336.147, -93.011,   9.328)  (-336.136, -93.002,   9.334)  ( 0.00,  0.01,  0.07)
170:     torsion (-252.846, -13.122, 139.543)  (-252.846, -13.121, 139.537)  ( 0.00,  0.01,  0.00)
170:     oop     (-15.508,   5.435,  12.366)  (-10.554,   3.749,   9.275)  (31.95, 31.02, 25.00)
170:     vdw     (110.216,  15.528, -28.048)  (110.219,  15.529, -28.048)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (250.136, -518.519, 549.490)  (247.415, -515.289, 546.478)  ( 1.09,  0.62,  0.55)
170:     bond    (  1.458,  71.116,  68.487)  (  1.475,  71.143,  68.499)  ( 1.21,  0.04,  0.02)
170:     angle   (154.409, -485.366, 569.972)  (154.424, -485.348, 569.983)  ( 0.01,  0.00,  0.00)
170:     torsion ( 34.783,  -7.281, -106.662)  ( 34.783,  -7.282, -106.665)  ( 0.00,  0.01,  0.00)
170:     oop     ( 10.990, -10.864,   8.861)  (  8.236,  -7.681,   5.829)  (25.06, 29.30, 34.22)
170:     vdw     ( 48.496, -86.123,   8.832)  ( 48.497, -86.121,   8.832)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (439.497, 441.908, -1179.811)  (434.517, 434.975, -1176.814)  ( 1.13,  1.57,  0.25)
170:     bond    ( 61.002,  37.800, -126.985)  ( 61.019,  37.811, -126.957)  ( 0.03,  0.03,  0.02)
170:     angle   (488.272, 508.141, -851.857)  (488.299, 508.158, -851.826)  ( 0.01,  0.00,  0.00)
170:     torsion (-69.212, -104.841, -271.849)  (-69.215, -104.847, -271.852)  ( 0.00,  0.01,  0.00)
170:     oop     ( 11.805,  20.515,  -8.930)  (  6.784,  13.558,  -5.990)  (42.54, 33.91, 32.92)
170:     vdw     (-52.371, -19.707,  79.811)  (-52.370, -19.705,  79.812)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       (-310.545, -438.789, 1524.655)  (-310.723, -442.223, 1511.710)  ( 0.06,  0.78,  0.85)
170:     bond    ( 70.628,  28.998,   6.944)  ( 70.646,  29.024,   6.955)  ( 0.03,  0.09,  0.16)
170:     angle   (-393.833, -564.110, 1041.613)  (-393.811, -564.068, 1041.665)  ( 0.01,  0.01,  0.01)
170:     torsion (107.997,  97.872, 391.223)  (107.999,  97.871, 391.223)  ( 0.00,  0.00,  0.00)
170:     oop     (  1.581,  10.950,  33.987)  (  1.357,   7.451,  20.979)  (14.16, 31.96, 38.27)
170:     vdw     (-96.918, -12.500,  50.888)  (-96.915, -12.500,  50.888)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       (425.491, 106.564, -171.779)  (386.458, 106.281, -139.633)  ( 9.17,  0.27, 18.71)
170:     bond    ( -9.197,  36.479,   4.844)  ( -9.178,  36.501,   4.864)  ( 0.21,  0.06,  0.39)
170:     angle   (256.003,  82.383, -340.147)  (256.014,  82.397, -340.136)  ( 0.00,  0.02,  0.00)
170:     torsion (109.631,  15.471, 237.942)  (109.634,  15.472, 237.944)  ( 0.00,  0.01,  0.00)
170:     oop     ( 63.741, -19.452, -68.052)  ( 24.674, -19.772, -35.939)  (61.29,  1.65, 47.19)
170:     vdw     (  5.314,  -8.316,  -6.366)  (  5.314,  -8.316,  -6.366)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (149.932, -39.572, -344.415)  (149.960, -39.544, -344.384)  ( 0.02,  0.07,  0.01)
170:     bond    ( -4.442,   1.405,   6.036)  ( -4.425,   1.422,   6.058)  ( 0.40,  1.19,  0.36)
170:     angle   (150.728, -38.064, -341.656)  (150.736, -38.055, -341.647)  ( 0.01,  0.02,  0.00)
170:     torsion (  2.661,  10.075,  -1.921)  (  2.662,  10.077,  -1.921)  ( 0.05,  0.02,  0.03)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.986, -12.988,  -6.874)  (  0.986, -12.988,  -6.874)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (-71.366, -3248.159, 6275.535)  ( 18.746, -3255.267, 6213.962)  (126.27,  0.22,  0.98)
170:     bond    (-24.751,  -1.393, -11.881)  (-24.732,  -1.375, -11.844)  ( 0.08,  1.31,  0.31)
170:     angle   ( 96.308, -3293.527, 6182.157)  ( 96.347, -3293.377, 6182.697)  ( 0.04,  0.00,  0.01)
170:     torsion ( 35.429, -20.000, -40.923)  ( 35.428, -19.999, -40.925)  ( 0.00,  0.00,  0.01)
170:     oop     (-188.460,  78.650, 129.944)  (-98.405,  71.374,  67.796)  (47.78,  9.25, 47.83)
170:     vdw     ( 10.107, -11.890,  16.238)  ( 10.108, -11.890,  16.238)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       (-2429.877, -941.912, -3598.395)  (-2440.493, -931.780, -3592.480)  ( 0.44,  1.08,  0.16)
170:     bond    (  5.843,   7.534,  -6.324)  (  5.851,   7.567,  -6.314)  ( 0.13,  0.44,  0.16)
170:     angle   (-2494.865, -915.953, -3613.099)  (-2494.774, -915.935, -3612.911)  ( 0.00,  0.00,  0.01)
170:     torsion ( 12.549,  10.708,  27.711)  ( 12.517,  10.708,  27.682)  ( 0.25,  0.00,  0.10)
170:     oop     ( 38.865, -36.829, -21.148)  ( 28.182, -26.749, -15.402)  (27.49, 27.37, 27.17)
170:     vdw     (  7.730,  -7.371,  14.464)  (  7.730,  -7.371,  14.465)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       (2275.150, 4110.172, -2528.710)  (2235.661, 4108.150, -2502.586)  ( 1.74,  0.05,  1.03)
170:     bond    ( -0.918,  -0.369,  -1.437)  ( -0.909,  -0.368,  -1.414)  ( 0.86,  0.06,  1.58)
170:     angle   (2212.532, 4119.830, -2494.022)  (2212.617, 4120.053, -2493.951)  ( 0.00,  0.01,  0.00)
170:     torsion (-23.370,   9.163,  12.638)  (-23.369,   9.163,  12.639)  ( 0.00,  0.00,  0.00)
170:     oop     ( 82.164, -23.441, -46.720)  ( 42.580, -25.687, -20.690)  (48.18,  9.58, 55.71)
170:     vdw     (  4.741,   4.990,   0.830)  (  4.742,   4.990,   0.830)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       ( 29.563, 159.802, -18.007)  ( 29.576, 159.805, -18.005)  ( 0.05,  0.00,  0.01)
170:     bond    (  9.037,  -1.524,  -0.203)  (  9.050,  -1.524,  -0.203)  ( 0.15,  0.03,  0.00)
170:     angle   ( 28.049, 169.417, -21.211)  ( 28.049, 169.420, -21.210)  ( 0.00,  0.00,  0.01)
170:     torsion (  0.210,   0.398,   6.373)  (  0.210,   0.398,   6.374)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -7.733,  -8.489,  -2.966)  ( -7.733,  -8.489,  -2.966)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       (110.511,  89.033, -82.861)  (110.514,  89.041, -82.852)  ( 0.00,  0.01,  0.01)
170:     bond    (  0.003,   1.672,   1.773)  (  0.003,   1.679,   1.780)  ( 0.00,  0.39,  0.41)
170:     angle   (113.837,  88.441, -83.579)  (113.839,  88.441, -83.577)  ( 0.00,  0.00,  0.00)
170:     torsion ( -2.557,   1.919,  -1.806)  ( -2.557,   1.919,  -1.805)  ( 0.01,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.771,  -2.999,   0.751)  ( -0.771,  -2.998,   0.751)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       (164.360,  93.375,  89.660)  (164.363,  93.382,  89.669)  ( 0.00,  0.01,  0.01)
170:     bond    (  0.190,   3.711,  -4.053)  (  0.190,   3.718,  -4.045)  ( 0.00,  0.17,  0.19)
170:     angle   (165.611,  99.178,  98.925)  (165.613,  99.178,  98.927)  ( 0.00,  0.00,  0.00)
170:     torsion (  3.499,  -3.086,  -2.672)  (  3.499,  -3.086,  -2.672)  ( 0.01,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -4.940,  -6.429,  -2.540)  ( -4.939,  -6.429,  -2.540)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       ( 23.106,  96.329,  38.306)  ( 23.112,  96.336,  38.316)  ( 0.02,  0.01,  0.03)
170:     bond    (  3.354,  -4.340,   8.483)  (  3.355,  -4.337,   8.493)  ( 0.05,  0.06,  0.12)
170:     angle   ( 24.599,  88.887,  35.672)  ( 24.602,  88.890,  35.672)  ( 0.01,  0.00,  0.00)
170:     torsion (  9.356,  -0.208,  -3.802)  (  9.357,  -0.207,  -3.802)  ( 0.01,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-14.202,  11.990,  -2.047)  (-14.202,  11.990,  -2.047)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       (106.847,   7.352,  -6.537)  (106.852,   7.358,  -6.526)  ( 0.00,  0.08,  0.17)
170:     bond    (  0.265,  10.534,  16.212)  (  0.265,  10.538,  16.222)  ( 0.00,  0.04,  0.06)
170:     angle   (116.143,   9.693,  -8.196)  (116.147,   9.694,  -8.196)  ( 0.00,  0.01,  0.01)
170:     torsion (-14.500, -13.124,   8.762)  (-14.500, -13.123,   8.762)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  4.940,   0.249, -23.314)  (  4.940,   0.249, -23.314)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       (-53.936,   9.882, -76.119)  (-53.930,   9.894, -76.116)  ( 0.01,  0.13,  0.00)
170:     bond    ( -3.527,  -8.677,   1.493)  ( -3.525,  -8.666,   1.493)  ( 0.06,  0.13,  0.03)
170:     angle   (-62.327,  13.662, -67.852)  (-62.324,  13.663, -67.850)  ( 0.00,  0.00,  0.00)
170:     torsion (  9.678,  -4.462,  -3.046)  (  9.678,  -4.462,  -3.046)  ( 0.00,  0.00,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  2.240,   9.359,  -6.714)  (  2.241,   9.359,  -6.713)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       (-78.890, -72.710, -158.807)  (-78.878, -72.707, -158.804)  ( 0.02,  0.00,  0.00)
170:     bond    (  3.533,  -1.023,  -1.278)  (  3.545,  -1.022,  -1.276)  ( 0.32,  0.09,  0.12)
170:     angle   (-82.209, -82.772, -162.066)  (-82.208, -82.771, -162.064)  ( 0.00,  0.00,  0.00)
170:     torsion (  0.249,   2.761,  -1.520)  (  0.249,   2.761,  -1.519)  ( 0.00,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.463,   8.324,   6.056)  ( -0.463,   8.325,   6.056)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       ( 54.476, -88.167, -69.420)  ( 54.480, -88.162, -69.409)  ( 0.01,  0.01,  0.02)
170:     bond    ( -3.009,   4.808,  -9.022)  ( -3.008,   4.811,  -9.012)  ( 0.04,  0.06,  0.11)
170:     angle   ( 60.074, -98.874, -72.827)  ( 60.076, -98.872, -72.827)  ( 0.00,  0.00,  0.00)
170:     torsion ( -1.594,  -0.810,   0.099)  ( -1.594,  -0.810,   0.099)  ( 0.03,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.995,   6.710,  12.331)  ( -0.995,   6.710,  12.331)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       ( 78.432,  -9.054, -127.914)  ( 78.437,  -9.043, -127.911)  ( 0.01,  0.13,  0.00)
170:     bond    (  0.761,   1.681,   0.278)  (  0.763,   1.693,   0.278)  ( 0.17,  0.67,  0.01)
170:     angle   ( 80.775, -14.566, -132.840)  ( 80.777, -14.566, -132.837)  ( 0.00,  0.00,  0.00)
170:     torsion (  0.481,  -0.260,   0.258)  (  0.482,  -0.259,   0.258)  ( 0.02,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.585,   4.090,   4.389)  ( -3.585,   4.090,   4.389)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 25       (-51.535,  44.398,  45.791)  (-51.131,  44.805,  46.918)  ( 0.78,  0.92,  2.46)
170:     bond    ( -5.493,  -9.604,   5.333)  ( -5.490,  -9.595,   5.336)  ( 0.06,  0.10,  0.05)
170:     angle   (-27.870,   8.136, -14.040)  (-27.867,   8.137, -14.040)  ( 0.01,  0.01,  0.00)
170:     torsion (-20.060,  46.688,  63.308)  (-20.060,  46.688,  63.309)  ( 0.00,  0.00,  0.00)
170:     oop     ( -2.278,  -2.485,  -6.811)  ( -1.880,  -2.088,  -5.689)  (17.47, 15.96, 16.48)
170:     vdw     (  4.166,   1.663,  -1.999)  (  4.167,   1.663,  -1.999)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 26       (139.004, -88.908, -249.742)  (137.065, -87.642, -246.362)  ( 1.39,  1.42,  1.35)
170:     bond    ( -4.791,  -1.212,  -2.309)  ( -4.779,  -1.211,  -2.306)  ( 0.24,  0.06,  0.12)
170:     angle   ( -5.602, -26.885,  25.728)  ( -5.602, -26.882,  25.729)  ( 0.00,  0.01,  0.00)
170:     torsion (141.462, -55.192, -264.132)  (141.462, -55.192, -264.135)  ( 0.00,  0.00,  0.00)
170:     oop     (  5.926,  -3.391, -10.499)  (  3.975,  -2.129,  -7.119)  (32.92, 37.22, 32.19)
170:     vdw     (  2.008,  -2.228,   1.470)  (  2.008,  -2.228,   1.470)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 27       (-100.572, -46.189,  20.393)  (-97.540, -41.908,  19.841)  ( 3.01,  9.27,  2.70)
170:     bond    ( -2.799,   0.425, -11.770)  ( -2.798,   0.426, -11.755)  ( 0.03,  0.00,  0.12)
170:     angle   (-15.348,  37.830,   5.022)  (-15.346,  37.831,   5.022)  ( 0.01,  0.00,  0.00)
170:     torsion (-75.920, -74.809,  15.364)  (-75.922, -74.812,  15.364)  ( 0.00,  0.00,  0.00)
170:     oop     ( -7.652, -11.933,   1.389)  ( -4.622,  -7.649,   0.823)  (39.60, 35.90, 40.75)
170:     vdw     (  1.147,   2.297,  10.387)  (  1.147,   2.297,  10.387)  ( 0.02,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 28       (-336.241, 574.483, -339.541)  (-334.757, 575.588, -337.085)  ( 0.44,  0.19,  0.72)
170:     bond    (  3.945,   0.719,  -2.690)  (  3.955,   0.720,  -2.685)  ( 0.25,  0.03,  0.17)
170:     angle   (-310.864, 492.121, -326.047)  (-310.851, 492.147, -326.037)  ( 0.00,  0.01,  0.00)
170:     torsion (-22.615,  92.362,  -8.563)  (-22.615,  92.362,  -8.562)  ( 0.00,  0.00,  0.01)
170:     oop     ( -4.712,  -5.306,  -8.363)  ( -3.252,  -4.227,  -5.923)  (30.98, 20.34, 29.17)
170:     vdw     ( -1.995,  -5.414,   6.122)  ( -1.995,  -5.413,   6.122)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 29       (-15.151,   2.263,  81.298)  (-15.139,   2.270,  81.302)  ( 0.08,  0.34,  0.00)
170:     bond    ( 19.096,  11.184,   2.759)  ( 19.107,  11.188,   2.759)  ( 0.05,  0.03,  0.01)
170:     angle   (-18.411,   8.591,  92.628)  (-18.410,   8.594,  92.630)  ( 0.01,  0.03,  0.00)
170:     torsion ( -8.884,  12.396,  11.251)  ( -8.884,  12.397,  11.251)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -6.952, -29.909, -25.340)  ( -6.952, -29.908, -25.339)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 30       (-41.569, -30.088, 123.256)  (-41.566, -30.074, 123.259)  ( 0.01,  0.05,  0.00)
170:     bond    ( -0.641,   4.990,   0.937)  ( -0.641,   5.004,   0.937)  ( 0.02,  0.26,  0.05)
170:     angle   (-51.949, -30.836, 129.092)  (-51.947, -30.835, 129.094)  ( 0.00,  0.00,  0.00)
170:     torsion (  7.939,   0.218,   4.263)  (  7.940,   0.218,   4.263)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  3.082,  -4.461, -11.036)  (  3.082,  -4.461, -11.036)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 31       (-92.387,  60.898,  62.401)  (-92.381,  60.901,  62.412)  ( 0.01,  0.01,  0.02)
170:     bond    (  2.122,  -1.132,   4.187)  (  2.125,  -1.131,   4.197)  ( 0.13,  0.07,  0.25)
170:     angle   (-96.594,  67.358,  67.047)  (-96.591,  67.360,  67.047)  ( 0.00,  0.00,  0.00)
170:     torsion ( -1.211,  -2.108,   0.045)  ( -1.211,  -2.108,   0.045)  ( 0.01,  0.02,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  3.296,  -3.220,  -8.878)  (  3.296,  -3.220,  -8.878)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 32       (  1.956,  69.960, 117.238)  (  1.968,  69.963, 117.241)  ( 0.62,  0.01,  0.00)
170:     bond    ( -3.614,  -1.283,   0.787)  ( -3.602,  -1.282,   0.788)  ( 0.33,  0.12,  0.05)
170:     angle   (  2.595,  69.724, 125.283)  (  2.595,  69.726, 125.285)  ( 0.01,  0.00,  0.00)
170:     torsion ( -1.096,   2.248,  -1.352)  ( -1.096,   2.249,  -1.352)  ( 0.01,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  4.071,  -0.730,  -7.481)  (  4.071,  -0.730,  -7.481)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 33       ( 55.911, -53.509, -77.574)  ( 55.901, -53.490, -77.584)  ( 0.02,  0.04,  0.01)
170:     bond    (  2.467,   6.482,  -2.894)  (  2.470,   6.500,  -2.890)  ( 0.11,  0.29,  0.13)
170:     angle   ( 68.061, -54.217, -63.765)  ( 68.059, -54.217, -63.767)  ( 0.00,  0.00,  0.00)
170:     torsion (-10.559,  -0.725, -10.654)  (-10.569,  -0.725, -10.664)  ( 0.10,  0.00,  0.10)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -4.059,  -5.049,  -0.262)  ( -4.059,  -5.049,  -0.262)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 30 # gradients 
170: ok 31 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       ( 76.598, -137.678, -29.141)  ( 76.810, -137.346, -29.823)  ( 0.28,  0.24,  2.34)
170:     bond    ( 90.698,   4.504,  26.887)  ( 90.717,   4.522,  26.905)  ( 0.02,  0.40,  0.07)
170:     angle   (  1.623, -114.544, -45.076)  (  1.632, -114.533, -45.068)  ( 0.56,  0.01,  0.02)
170:     torsion ( -0.161,   1.696,   0.297)  ( -0.162,   1.695,   0.296)  ( 0.00,  0.09,  0.02)
170:     oop     ( -1.255,  -2.021,   4.821)  ( -1.071,  -1.717,   4.113)  (14.66, 15.01, 14.68)
170:     vdw     (-14.307, -27.313, -16.070)  (-14.307, -27.312, -16.070)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (-152.928, 235.846,  12.867)  (-153.710, 234.463,  16.343)  ( 0.51,  0.59, 27.02)
170:     bond    ( 18.688, 120.062,  50.687)  ( 18.719, 120.102,  50.695)  ( 0.16,  0.03,  0.02)
170:     angle   (-160.218, 103.423,  16.382)  (-160.193, 103.435,  16.386)  ( 0.02,  0.01,  0.03)
170:     torsion (  5.513,  10.248, -27.387)  (  5.513,  10.248, -27.383)  ( 0.00,  0.00,  0.01)
170:     oop     (  4.728,   8.056, -19.476)  (  3.891,   6.620, -16.015)  (17.71, 17.82, 17.77)
170:     vdw     (-21.640,  -5.943,  -7.340)  (-21.639,  -5.943,  -7.340)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       (-20.273, -42.385,   1.840)  (-20.269, -42.372,   1.841)  ( 0.02,  0.03,  0.07)
170:     bond    (-14.015, -41.334,   3.370)  (-14.014, -41.322,   3.369)  ( 0.01,  0.03,  0.00)
170:     angle   (  3.142,  -1.541,  -5.821)  (  3.144,  -1.541,  -5.819)  ( 0.08,  0.02,  0.04)
170:     torsion ( -1.299,   0.808,   4.512)  ( -1.299,   0.808,   4.511)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.100,  -0.318,  -0.220)  ( -8.100,  -0.318,  -0.220)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       (-39.832,  20.635,  23.062)  (-39.825,  20.640,  23.068)  ( 0.02,  0.03,  0.03)
170:     bond    (-24.926,  24.974,  25.987)  (-24.922,  24.978,  25.992)  ( 0.02,  0.02,  0.02)
170:     angle   ( 15.098,   9.421,   5.421)  ( 15.099,   9.423,   5.422)  ( 0.01,  0.02,  0.03)
170:     torsion (  0.391,   2.228,  -1.766)  (  0.391,   2.227,  -1.766)  ( 0.00,  0.02,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-30.394, -15.988,  -6.580)  (-30.393, -15.988,  -6.581)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       ( -7.315,   8.380, -46.059)  ( -7.312,   8.382, -46.046)  ( 0.04,  0.03,  0.03)
170:     bond    ( -4.168,  14.030, -42.962)  ( -4.168,  14.031, -42.950)  ( 0.00,  0.01,  0.03)
170:     angle   ( -2.135,  -0.984,  -0.114)  ( -2.132,  -0.982,  -0.114)  ( 0.13,  0.17,  0.00)
170:     torsion (  0.677,  -4.782,  -1.628)  (  0.677,  -4.782,  -1.628)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.689,   0.115,  -1.355)  ( -1.689,   0.115,  -1.355)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       (  4.958,  25.627,  23.772)  (  5.299,  26.233,  22.406)  ( 6.88,  2.36,  5.74)
170:     bond    (-21.244,  25.105,   5.717)  (-21.230,  25.124,   5.718)  ( 0.06,  0.08,  0.02)
170:     angle   ( 48.589,  35.818,  23.035)  ( 48.594,  35.820,  23.036)  ( 0.01,  0.01,  0.01)
170:     torsion (  0.668,   0.795,  -1.016)  (  0.668,   0.796,  -1.015)  ( 0.00,  0.01,  0.08)
170:     oop     ( -1.540,  -2.789,   6.534)  ( -1.219,  -2.206,   5.165)  (20.84, 20.91, 20.95)
170:     vdw     (-21.515, -33.302, -10.497)  (-21.514, -33.301, -10.497)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       (334.388, -338.993, 147.058)  (335.030, -337.932, 144.745)  ( 0.19,  0.31,  1.57)
170:     bond    (245.959, -148.392,  15.324)  (245.992, -148.360,  15.334)  ( 0.01,  0.02,  0.06)
170:     angle   (112.192, -138.270, -14.395)  (112.209, -138.258, -14.391)  ( 0.02,  0.01,  0.03)
170:     torsion (-32.536, -52.538, 128.814)  (-32.536, -52.537, 128.821)  ( 0.00,  0.00,  0.01)
170:     oop     ( -3.401,  -6.088,  13.818)  ( -2.811,  -5.072,  11.483)  (17.33, 16.68, 16.89)
170:     vdw     ( 12.174,   6.296,   3.499)  ( 12.175,   6.296,   3.499)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       ( -8.811, 126.417, -29.683)  ( -8.901, 126.178, -29.189)  ( 1.03,  0.19,  1.66)
170:     bond    (-53.853,  48.848,  13.498)  (-53.841,  48.858,  13.499)  ( 0.02,  0.02,  0.00)
170:     angle   (  9.070,   9.509,   1.761)  (  9.073,   9.511,   1.763)  ( 0.03,  0.02,  0.07)
170:     torsion ( 11.812,  29.617, -60.086)  ( 11.812,  29.617, -60.084)  ( 0.00,  0.00,  0.00)
170:     oop     (  0.707,   1.694,  -3.314)  (  0.601,   1.442,  -2.824)  ( 7.48, 14.87, 14.78)
170:     vdw     ( 23.453,  36.748,  18.458)  ( 23.454,  36.749,  18.458)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (-1129.448, 408.109, 803.258)  (-1125.406, 411.794, 805.177)  ( 0.36,  0.90,  0.24)
170:     bond    (-103.997, -219.107, -21.476)  (-103.967, -219.084, -21.459)  ( 0.03,  0.01,  0.08)
170:     angle   (-985.550, 675.773, 895.974)  (-985.487, 675.798, 896.010)  ( 0.01,  0.00,  0.00)
170:     torsion (-26.441, -47.964, -67.461)  (-26.439, -47.965, -67.460)  ( 0.01,  0.00,  0.00)
170:     oop     (-14.976, -16.611, -10.251)  (-11.030, -12.972,  -8.386)  (26.35, 21.91, 18.19)
170:     vdw     (  1.516,  16.018,   6.470)  (  1.516,  16.018,   6.470)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       (  8.029, -76.726, 190.394)  (  9.000, -73.463, 192.664)  (12.09,  4.25,  1.19)
170:     bond    ( 15.804,  -6.508, 213.853)  ( 15.823,  -6.489, 213.880)  ( 0.12,  0.29,  0.01)
170:     angle   (  9.137, -63.701,  54.991)  (  9.152, -63.687,  55.003)  ( 0.17,  0.02,  0.02)
170:     torsion (-28.028, -14.619, -75.931)  (-28.027, -14.619, -75.931)  ( 0.00,  0.00,  0.00)
170:     oop     ( -2.980,  -7.720,  -5.117)  ( -2.045,  -4.489,  -2.888)  (31.36, 41.85, 43.56)
170:     vdw     ( 14.096,  15.821,   2.599)  ( 14.097,  15.821,   2.599)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       (544.685, -647.845, 1144.815)  (544.894, -657.097, 1142.418)  ( 0.04,  1.43,  0.21)
170:     bond    (-40.591, 144.077, -20.199)  (-40.554, 144.089, -20.173)  ( 0.09,  0.01,  0.13)
170:     angle   (535.295, -1038.003, 1214.776)  (535.321, -1037.947, 1214.846)  ( 0.00,  0.01,  0.01)
170:     torsion ( 63.501, 230.066, -53.972)  ( 63.502, 230.066, -53.971)  ( 0.00,  0.00,  0.00)
170:     oop     ( -7.658,   9.010,   0.631)  ( -7.513,  -0.311,  -1.864)  ( 1.89, 103.45, 157.50)
170:     vdw     ( -5.862,   7.006,   3.579)  ( -5.862,   7.006,   3.579)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (-25.017, -39.696, -27.520)  (-25.013, -39.690, -27.509)  ( 0.02,  0.01,  0.04)
170:     bond    ( -6.707, -23.865, -40.222)  ( -6.707, -23.862, -40.212)  ( 0.00,  0.01,  0.02)
170:     angle   (-28.615, -11.370,  11.517)  (-28.612, -11.367,  11.518)  ( 0.01,  0.02,  0.01)
170:     torsion ( -9.304, -13.104,   9.328)  ( -9.303, -13.104,   9.328)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 19.609,   8.643,  -8.142)  ( 19.610,   8.643,  -8.142)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       ( 14.290, -30.906,   7.031)  ( 14.305, -30.891,   7.038)  ( 0.10,  0.05,  0.10)
170:     bond    ( 22.217, -114.854,  49.575)  ( 22.229, -114.844,  49.577)  ( 0.05,  0.01,  0.01)
170:     angle   (-20.686,  71.228, -58.832)  (-20.684,  71.233, -58.828)  ( 0.01,  0.01,  0.01)
170:     torsion ( 13.827,   0.411,  30.482)  ( 13.827,   0.411,  30.482)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.068,  12.309, -14.194)  ( -1.067,  12.309, -14.194)  ( 0.06,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       (450.743, 515.255, -2323.120)  (436.192, 499.530, -2328.636)  ( 3.23,  3.05,  0.24)
170:     bond    ( 50.241,  79.598, -257.048)  ( 50.261,  79.608, -256.999)  ( 0.04,  0.01,  0.02)
170:     angle   (369.051, 422.919, -2133.459)  (369.088, 422.948, -2133.288)  ( 0.01,  0.01,  0.01)
170:     torsion ( 28.006, -43.443,  37.340)  ( 28.009, -43.441,  37.342)  ( 0.01,  0.00,  0.00)
170:     oop     ( 50.745,  61.195,  23.986)  ( 36.133,  45.430,  18.249)  (28.80, 25.76, 23.92)
170:     vdw     (-47.301,  -5.015,   6.060)  (-47.300,  -5.015,   6.061)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       ( 51.105,  27.669,  35.997)  ( 51.110,  27.681,  36.000)  ( 0.01,  0.05,  0.01)
170:     bond    (  1.170,  30.496,   9.172)  (  1.170,  30.509,   9.173)  ( 0.01,  0.04,  0.01)
170:     angle   ( 49.658,  -2.031,   0.416)  ( 49.663,  -2.031,   0.418)  ( 0.01,  0.01,  0.09)
170:     torsion (  2.337,  -6.343,  20.800)  (  2.338,  -6.343,  20.800)  ( 0.02,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -2.061,   5.547,   5.609)  ( -2.060,   5.547,   5.609)  ( 0.02,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       ( 17.575,  15.812,  76.004)  ( 27.725,  27.937,  79.728)  (57.75, 76.69,  4.90)
170:     bond    (-11.511,  -7.156,  55.081)  (-11.510,  -7.156,  55.112)  ( 0.01,  0.00,  0.06)
170:     angle   ( 72.532,  34.099,  19.577)  ( 72.536,  34.101,  19.577)  ( 0.01,  0.01,  0.00)
170:     torsion ( -1.053,  22.384,   2.687)  ( -1.052,  22.384,   2.687)  ( 0.08,  0.00,  0.00)
170:     oop     (-25.920, -32.157,  -9.588)  (-15.777, -20.034,  -5.896)  (39.13, 37.70, 38.51)
170:     vdw     (-16.473,  -1.358,   8.248)  (-16.473,  -1.358,   8.248)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       (-124.436, 149.496, -73.657)  (-124.401, 149.529, -73.624)  ( 0.03,  0.02,  0.05)
170:     bond    (-54.298,  27.135, -21.123)  (-54.277,  27.153, -21.103)  ( 0.04,  0.07,  0.09)
170:     angle   (-55.131,  89.961, -34.878)  (-55.117,  89.975, -34.865)  ( 0.03,  0.02,  0.04)
170:     torsion (-16.136,  28.776, -14.773)  (-16.135,  28.777, -14.772)  ( 0.01,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  1.128,   3.624,  -2.884)  (  1.128,   3.624,  -2.884)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       (-116.990, -319.865, -110.155)  (-116.611, -313.758, -110.031)  ( 0.32,  1.91,  0.11)
170:     bond    (-13.024, -77.021, -88.008)  (-12.998, -77.001, -87.986)  ( 0.20,  0.03,  0.02)
170:     angle   (-117.161, -96.461, -91.911)  (-117.145, -96.444, -91.894)  ( 0.01,  0.02,  0.02)
170:     torsion ( 15.485, -125.268,  65.785)  ( 15.484, -125.267,  65.785)  ( 0.00,  0.00,  0.00)
170:     oop     ( -3.885, -13.509,   2.412)  ( -3.548,  -7.439,   2.497)  ( 8.67, 44.93,  3.51)
170:     vdw     (  1.595,  -7.606,   1.567)  (  1.595,  -7.606,   1.567)  ( 0.04,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       (  3.054, -23.873,   4.399)  (  3.084, -23.844,   4.428)  ( 0.96,  0.12,  0.68)
170:     bond    (-38.663,  58.600,  73.249)  (-38.645,  58.618,  73.268)  ( 0.05,  0.03,  0.03)
170:     angle   ( 39.290, -91.035, -16.476)  ( 39.300, -91.026, -16.467)  ( 0.02,  0.01,  0.06)
170:     torsion (-13.830,   1.214,  -8.197)  (-13.828,   1.216,  -8.196)  ( 0.01,  0.09,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 16.257,   7.348, -44.177)  ( 16.257,   7.348, -44.176)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       ( 24.770, -40.809,  19.275)  ( 24.799, -40.780,  19.305)  ( 0.12,  0.07,  0.15)
170:     bond    (-65.790, -42.791, -42.397)  (-65.771, -42.772, -42.379)  ( 0.03,  0.04,  0.04)
170:     angle   ( 59.888,   6.868,  55.833)  ( 59.898,   6.877,  55.842)  ( 0.02,  0.13,  0.02)
170:     torsion ( 14.868, -26.408,   5.091)  ( 14.869, -26.407,   5.093)  ( 0.00,  0.00,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 15.803,  21.522,   0.748)  ( 15.803,  21.523,   0.748)  ( 0.00,  0.00,  0.02)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       (175.072, 307.178, 222.264)  (171.760, 306.584, 225.028)  ( 1.89,  0.19,  1.24)
170:     bond    (-18.691,  91.685,  -4.967)  (-18.677,  91.723,  -4.945)  ( 0.08,  0.04,  0.46)
170:     angle   (177.843, 227.696, 192.642)  (177.853, 227.714, 192.653)  ( 0.01,  0.01,  0.01)
170:     torsion ( 15.791,   8.817,  10.030)  ( 15.789,   8.817,  10.029)  ( 0.01,  0.00,  0.01)
170:     oop     ( 18.033,   3.483, -15.083)  ( 14.697,   2.832, -12.352)  (18.50, 18.67, 18.10)
170:     vdw     (-17.903, -24.503,  39.642)  (-17.902, -24.502,  39.643)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       (  1.947,  34.327,  35.635)  (  1.953,  34.333,  35.647)  ( 0.28,  0.02,  0.03)
170:     bond    ( -1.983,  13.556,  23.274)  ( -1.983,  13.560,  23.284)  ( 0.00,  0.03,  0.04)
170:     angle   ( 23.714,  18.764,  -8.910)  ( 23.718,  18.767,  -8.909)  ( 0.02,  0.01,  0.01)
170:     torsion (-41.237,  -3.500,  -1.473)  (-41.237,  -3.500,  -1.473)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 21.453,   5.506,  22.745)  ( 21.455,   5.507,  22.745)  ( 0.01,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       (-95.827, -365.974, -154.353)  (-95.148, -365.799, -154.908)  ( 0.71,  0.05,  0.36)
170:     bond    ( -0.397, -74.774, -11.245)  ( -0.385, -74.751, -11.230)  ( 0.50,  0.03,  0.13)
170:     angle   (-97.730, -272.875, -154.775)  (-97.726, -272.862, -154.770)  ( 0.00,  0.00,  0.00)
170:     torsion ( -1.280,  -0.075,   1.110)  ( -1.279,  -0.075,   1.111)  ( 0.04,  0.00,  0.03)
170:     oop     ( -5.427,  -1.063,   4.722)  ( -4.765,  -0.925,   4.146)  (12.21, 12.95, 12.20)
170:     vdw     (  9.007, -17.186,   5.835)  (  9.007, -17.185,   5.835)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       ( 19.888, -34.478,  16.641)  ( 19.895, -34.471,  16.646)  ( 0.04,  0.02,  0.03)
170:     bond    ( 24.111, -23.901,  16.691)  ( 24.116, -23.896,  16.693)  ( 0.02,  0.02,  0.02)
170:     angle   (-12.220, -17.328,  -7.151)  (-12.218, -17.326,  -7.150)  ( 0.01,  0.01,  0.02)
170:     torsion ( -0.732,   0.033,   1.104)  ( -0.732,   0.033,   1.104)  ( 0.01,  0.00,  0.04)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  8.729,   6.718,   5.998)  (  8.729,   6.718,   5.998)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 25       ( 10.450,  21.570, -36.828)  ( 10.456,  21.576, -36.821)  ( 0.06,  0.03,  0.02)
170:     bond    ( 19.250,  20.288, -23.061)  ( 19.254,  20.292, -23.056)  ( 0.02,  0.02,  0.02)
170:     angle   (-17.588,  -6.430, -20.346)  (-17.587,  -6.429, -20.345)  ( 0.01,  0.02,  0.01)
170:     torsion (  0.083,  -0.103,  -0.020)  (  0.084,  -0.103,  -0.020)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  8.706,   7.816,   6.600)  (  8.706,   7.816,   6.600)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 26       (-28.753,  26.112,  20.990)  (-28.749,  26.119,  20.998)  ( 0.02,  0.03,  0.04)
170:     bond    (-13.126,  21.965,  25.899)  (-13.124,  21.970,  25.906)  ( 0.01,  0.02,  0.03)
170:     angle   (-26.990,  -6.648,  -8.036)  (-26.987,  -6.647,  -8.035)  ( 0.01,  0.02,  0.01)
170:     torsion ( -0.164,   1.531,  -1.382)  ( -0.164,   1.531,  -1.382)  ( 0.00,  0.02,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 11.526,   9.265,   4.509)  ( 11.526,   9.265,   4.509)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 27       ( 20.537, -29.022,  23.780)  ( 20.545, -29.015,  23.784)  ( 0.04,  0.03,  0.02)
170:     bond    ( 24.834, -23.991,  13.351)  ( 24.840, -23.986,  13.352)  ( 0.02,  0.02,  0.01)
170:     angle   ( -6.292,   6.628,  23.610)  ( -6.291,   6.629,  23.612)  ( 0.02,  0.02,  0.01)
170:     torsion ( -6.259,  -5.825,   1.181)  ( -6.259,  -5.824,   1.181)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  8.254,  -5.834, -14.362)  (  8.254,  -5.834, -14.362)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 28       (-43.374,  -6.951, -15.471)  (-43.366,  -6.946, -15.466)  ( 0.02,  0.08,  0.03)
170:     bond    (-26.465, -20.050, -18.073)  (-26.458, -20.046, -18.070)  ( 0.03,  0.02,  0.02)
170:     angle   (-22.465,  13.906,  17.462)  (-22.463,  13.907,  17.463)  ( 0.01,  0.01,  0.01)
170:     torsion ( -1.086,   6.316,  -5.417)  ( -1.086,   6.316,  -5.417)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  6.642,  -7.123,  -9.443)  (  6.642,  -7.123,  -9.443)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 29       ( 15.948,  34.448, -19.332)  ( 15.953,  34.454, -19.324)  ( 0.03,  0.02,  0.04)
170:     bond    ( 16.798,  19.680, -23.891)  ( 16.801,  19.684, -23.884)  ( 0.02,  0.02,  0.03)
170:     angle   (-10.822,  23.211,  11.518)  (-10.821,  23.214,  11.520)  ( 0.01,  0.01,  0.01)
170:     torsion (  5.216,  -0.584,   3.188)  (  5.217,  -0.584,   3.188)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  4.757,  -7.860, -10.148)  (  4.757,  -7.860, -10.147)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 30       (163.604, 126.954, 197.382)  (163.610, 126.977, 197.389)  ( 0.00,  0.02,  0.00)
170:     bond    (-17.713,  74.435,  -9.634)  (-17.711,  74.458,  -9.633)  ( 0.01,  0.03,  0.01)
170:     angle   (116.974,  46.100, 141.246)  (116.977,  46.100, 141.250)  ( 0.00,  0.00,  0.00)
170:     torsion (  6.965,   0.874,  -6.054)  (  6.965,   0.874,  -6.054)  ( 0.01,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 57.378,   5.546,  71.824)  ( 57.379,   5.546,  71.826)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 31       (-145.350,  50.635, -141.965)  (-143.708,  50.990, -143.276)  ( 1.13,  0.70,  0.92)
170:     bond    (  1.016,   4.265,   2.313)  (  1.017,   4.290,   2.320)  ( 0.14,  0.59,  0.32)
170:     angle   (-79.797,  65.627, -86.381)  (-79.793,  65.629, -86.377)  ( 0.00,  0.00,  0.00)
170:     torsion ( -5.607,  -1.263,   4.795)  ( -5.607,  -1.263,   4.794)  ( 0.01,  0.00,  0.01)
170:     oop     ( -7.179,  -1.487,   5.896)  ( -5.542,  -1.159,   4.573)  (22.81, 22.04, 22.44)
170:     vdw     (-53.784, -16.507, -68.588)  (-53.783, -16.507, -68.586)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 32 # gradients 
170: ok 33 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       ( 58.134, -10.875,  -0.081)  ( 58.181, -10.849,  -0.045)  ( 0.08,  0.25,  0.29)
170:     bond    ( 73.768, -13.768,   0.023)  ( 73.796, -13.759,   0.044)  ( 0.04,  0.07,  0.05)
170:     angle   ( 49.990,  -9.420,  -0.117)  ( 50.007,  -9.416,  -0.108)  ( 0.03,  0.05,  0.11)
170:     torsion (  0.011,   0.023,  -0.030)  (  0.011,   0.036,  -0.024)  ( 0.00,  0.03,  0.02)
170:     oop     (  0.000,   0.002,  -0.002)  (  0.000,   0.002,  -0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     (-65.635,  12.288,   0.045)  (-65.634,  12.288,   0.045)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       ( 17.936,  -8.798,  14.818)  ( 17.982,  -8.750,  14.845)  ( 0.26,  0.55,  0.18)
170:     bond    ( 92.410, -51.103, -50.286)  ( 92.439, -51.094, -50.266)  ( 0.03,  0.02,  0.04)
170:     angle   (-30.881,  18.740,  19.424)  (-30.868,  18.746,  19.435)  ( 0.04,  0.03,  0.06)
170:     torsion ( -1.948, -10.270,   6.861)  ( -1.947, -10.256,   6.867)  ( 0.03,  0.13,  0.09)
170:     oop     ( -0.022,  -0.118,   0.078)  ( -0.019,  -0.099,   0.066)  ( 0.01,  0.23,  0.10)
170:     vdw     (-41.623,  33.953,  38.741)  (-41.622,  33.954,  38.742)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       ( 15.352,  -1.265, -23.223)  ( 15.386,  -1.280, -23.156)  ( 0.22,  1.16,  0.29)
170:     bond    ( 13.918, -47.527, -68.607)  ( 13.946, -47.517, -68.587)  ( 0.20,  0.02,  0.03)
170:     angle   (-38.335,   4.459,  -1.411)  (-38.321,   4.465,  -1.400)  ( 0.04,  0.13,  0.81)
170:     torsion (  2.965,  11.890,  -8.461)  (  2.966,  11.904,  -8.455)  ( 0.02,  0.11,  0.07)
170:     oop     (  0.050,   0.265,  -0.177)  (  0.041,   0.221,  -0.147)  ( 0.04,  1.17,  0.53)
170:     vdw     ( 36.754,  29.647,  55.432)  ( 36.754,  29.648,  55.433)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       (-40.712,   7.792,   0.007)  (-40.667,   7.823,   0.043)  ( 0.11,  0.40,  0.03)
170:     bond    (-109.736,  20.629,   0.231)  (-109.709,  20.639,   0.252)  ( 0.02,  0.05,  0.48)
170:     angle   ( 17.485,  -3.318,  -0.068)  ( 17.501,  -3.312,  -0.059)  ( 0.09,  0.20,  0.06)
170:     torsion ( -0.039,   0.145,  -0.122)  ( -0.038,   0.157,  -0.115)  ( 0.00,  0.17,  0.08)
170:     oop     ( -0.002,  -0.010,   0.005)  ( -0.001,  -0.008,   0.005)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 51.579,  -9.654,  -0.040)  ( 51.581,  -9.653,  -0.039)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       ( 14.400,  -3.793,  22.280)  ( 14.450,  -3.723,  22.291)  ( 0.34,  1.86,  0.05)
170:     bond    ( 29.904,  39.139,  68.212)  ( 29.932,  39.148,  68.232)  ( 0.09,  0.02,  0.03)
170:     angle   (-37.521,   9.674,   1.433)  (-37.508,   9.680,   1.444)  ( 0.03,  0.07,  0.80)
170:     torsion ( -1.400, -11.441,   7.947)  ( -1.399, -11.427,   7.953)  ( 0.03,  0.12,  0.08)
170:     oop     ( -0.045,  -0.241,   0.160)  ( -0.037,  -0.200,   0.133)  ( 0.03,  0.98,  0.42)
170:     vdw     ( 23.462, -40.924, -55.472)  ( 23.462, -40.924, -55.471)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       ( 20.073,   0.769, -14.669)  ( 20.113,   0.780, -14.618)  ( 0.20,  0.86,  0.34)
170:     bond    (104.923,  13.970,  49.896)  (104.952,  13.980,  49.916)  ( 0.03,  0.07,  0.04)
170:     angle   (-35.503,  -6.310, -19.372)  (-35.489,  -6.305, -19.361)  ( 0.04,  0.08,  0.06)
170:     torsion (  1.762,   9.580,  -6.418)  (  1.763,   9.594,  -6.412)  ( 0.02,  0.14,  0.09)
170:     oop     (  0.020,   0.108,  -0.072)  (  0.017,   0.091,  -0.061)  ( 0.01,  0.18,  0.08)
170:     vdw     (-51.130, -16.580, -38.702)  (-51.129, -16.579, -38.701)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       ( 35.266,  -6.336,  -0.207)  ( 35.310,  -6.298,  -0.180)  ( 0.12,  0.59,  0.57)
170:     bond    ( 27.589,  -4.880,  -0.212)  ( 27.616,  -4.858,  -0.203)  ( 0.10,  0.44,  0.17)
170:     angle   ( 11.180,  -2.101,   0.012)  ( 11.195,  -2.091,   0.018)  ( 0.14,  0.46,  0.01)
170:     torsion ( -0.002,  -0.016,   0.003)  ( -0.002,  -0.011,   0.015)  ( 0.00,  0.01,  0.00)
170:     oop     (  0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.501,   0.661,  -0.010)  ( -3.500,   0.662,  -0.009)  ( 0.04,  0.02,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (-67.073,  -4.316,  14.211)  (-67.033,  -4.278,  14.239)  ( 0.06,  0.89,  0.20)
170:     bond    (-28.824, -42.695,  28.615)  (-28.796, -42.676,  28.622)  ( 0.10,  0.04,  0.03)
170:     angle   ( -8.910, -51.456,  31.603)  ( -8.899, -51.445,  31.607)  ( 0.12,  0.02,  0.01)
170:     torsion (  0.402,   2.129,   3.572)  (  0.402,   2.134,   3.587)  ( 0.01,  0.25,  0.41)
170:     oop     ( -0.001,  -0.006,  -0.010)  ( -0.001,  -0.005,  -0.008)  ( 0.00,  0.00,  0.00)
170:     vdw     (-29.740,  87.712, -49.570)  (-29.740,  87.714, -49.569)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (252.726, 124.577, -102.566)  (252.769, 124.618, -102.539)  ( 0.02,  0.03,  0.03)
170:     bond    ( -4.102,  -5.208,   3.529)  ( -4.072,  -5.183,   3.537)  ( 0.72,  0.48,  0.24)
170:     angle   (190.866,  62.770, -58.735)  (190.879,  62.781, -58.731)  ( 0.01,  0.02,  0.01)
170:     torsion ( -0.008,  -0.046,  -0.082)  ( -0.008,  -0.041,  -0.069)  ( 0.00,  0.02,  0.11)
170:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 65.970,  67.061, -47.275)  ( 65.971,  67.062, -47.275)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       (-228.789,  42.830,   0.196)  (-228.758,  42.865,   0.217)  ( 0.01,  0.08,  0.40)
170:     bond    (-23.988,   4.534,  -0.038)  (-23.972,   4.563,  -0.027)  ( 0.07,  0.64,  0.04)
170:     angle   (-243.722,  45.545,   0.214)  (-243.707,  45.548,   0.216)  ( 0.01,  0.01,  0.03)
170:     torsion (  0.006,   0.031,   0.048)  (  0.006,   0.034,   0.056)  ( 0.00,  0.01,  0.04)
170:     oop     (  0.000,   0.001,   0.002)  (  0.000,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 38.914,  -7.281,  -0.030)  ( 38.915,  -7.281,  -0.030)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       (190.044, -207.691, 102.032)  (190.089, -207.650, 102.060)  ( 0.02,  0.02,  0.03)
170:     bond    ( -2.495,   6.201,  -3.435)  ( -2.461,   6.222,  -3.426)  ( 1.33,  0.34,  0.25)
170:     angle   (155.225, -127.437,  58.396)  (155.236, -127.424,  58.400)  ( 0.01,  0.01,  0.01)
170:     torsion ( -0.012,  -0.067,  -0.118)  ( -0.012,  -0.062,  -0.105)  ( 0.00,  0.03,  0.15)
170:     oop     ( -0.001,  -0.004,  -0.006)  ( -0.001,  -0.003,  -0.005)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 37.327, -86.385,  47.195)  ( 37.327, -86.383,  47.195)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (-60.187,  27.700, -13.820)  (-60.146,  27.735, -13.795)  ( 0.07,  0.13,  0.18)
170:     bond    (-10.799,  49.795, -28.441)  (-10.771,  49.815, -28.434)  ( 0.25,  0.04,  0.03)
170:     angle   ( 10.364,  51.026, -31.537)  ( 10.376,  51.036, -31.533)  ( 0.12,  0.02,  0.01)
170:     torsion ( -0.390,  -2.077,  -3.496)  ( -0.390,  -2.071,  -3.481)  ( 0.01,  0.25,  0.42)
170:     oop     (  0.002,   0.008,   0.013)  (  0.001,   0.007,   0.011)  ( 0.00,  0.00,  0.00)
170:     vdw     (-59.364, -71.052,  49.642)  (-59.362, -71.051,  49.643)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       ( -0.582,   7.403,  -4.825)  ( -0.574,   7.413,  -4.817)  ( 0.48,  0.13,  0.17)
170:     bond    (  6.712,   7.382,  -5.157)  (  6.717,   7.388,  -5.154)  ( 0.08,  0.09,  0.06)
170:     angle   ( -8.182,   5.707,  -2.478)  ( -8.180,   5.708,  -2.478)  ( 0.03,  0.02,  0.01)
170:     torsion ( -0.038,  -0.202,  -0.342)  ( -0.038,  -0.201,  -0.338)  ( 0.00,  0.03,  0.13)
170:     oop     ( -0.001,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.927,  -5.481,   3.157)  (  0.927,  -5.481,   3.157)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       (-56.958,  -6.366,  10.362)  (-56.952,  -6.354,  10.368)  ( 0.01,  0.18,  0.06)
170:     bond    ( -5.954,  11.782,  -6.350)  ( -5.952,  11.792,  -6.347)  ( 0.04,  0.08,  0.05)
170:     angle   (-53.718, -18.080,  16.780)  (-53.714, -18.080,  16.780)  ( 0.01,  0.00,  0.00)
170:     torsion (  0.017,   0.088,   0.147)  (  0.017,   0.089,   0.150)  ( 0.00,  0.01,  0.04)
170:     oop     (  0.000,   0.000,   0.001)  (  0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     (  2.697,  -0.156,  -0.215)  (  2.697,  -0.156,  -0.215)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       ( -9.625, -15.532, -18.122)  ( -9.591, -15.488, -18.101)  ( 0.34,  0.28,  0.12)
170:     bond    (-59.579, -42.061, -79.510)  (-59.561, -42.043, -79.491)  ( 0.03,  0.04,  0.02)
170:     angle   ( 48.208,  11.512,  31.711)  ( 48.218,  11.520,  31.720)  ( 0.02,  0.07,  0.03)
170:     torsion ( -3.549,  -1.214,   3.285)  ( -3.548,  -1.211,   3.286)  ( 0.03,  0.28,  0.05)
170:     oop     ( -0.015,  -0.082,   0.055)  ( -0.013,  -0.068,   0.045)  ( 0.00,  0.12,  0.05)
170:     vdw     (  5.311,  16.313,  26.338)  (  5.312,  16.313,  26.338)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       (-58.385,  10.937,   0.090)  (-58.367,  10.941,   0.094)  ( 0.03,  0.04,  0.04)
170:     bond    (-50.199,   9.397,   0.031)  (-50.181,   9.397,   0.030)  ( 0.04,  0.00,  0.00)
170:     angle   (  0.005,   0.027,   0.040)  (  0.005,   0.028,   0.044)  ( 0.00,  0.00,  0.01)
170:     torsion ( -0.003,  -0.020,   0.011)  ( -0.003,  -0.018,   0.012)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.188,   1.535,   0.008)  ( -8.188,   1.535,   0.008)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       (-49.770,  31.442,  33.871)  (-49.762,  31.448,  33.884)  ( 0.02,  0.02,  0.04)
170:     bond    (-19.987,  26.705,  34.335)  (-19.984,  26.711,  34.344)  ( 0.02,  0.02,  0.03)
170:     angle   (  8.426,   1.110,   4.041)  (  8.430,   1.110,   4.042)  ( 0.05,  0.01,  0.02)
170:     torsion ( -0.173,  -0.918,   0.610)  ( -0.173,  -0.915,   0.611)  ( 0.00,  0.20,  0.06)
170:     oop     (  0.002,   0.010,  -0.007)  (  0.002,   0.009,  -0.006)  ( 0.00,  0.00,  0.00)
170:     vdw     (-38.038,   4.533,  -5.108)  (-38.037,   4.533,  -5.107)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       ( -3.379,  17.606,  18.634)  ( -3.351,  17.623,  18.673)  ( 0.84,  0.10,  0.21)
170:     bond    (-40.343,  60.834,  79.794)  (-40.326,  60.853,  79.813)  ( 0.04,  0.03,  0.02)
170:     angle   ( 40.876, -28.301, -31.675)  ( 40.887, -28.294, -31.666)  ( 0.03,  0.03,  0.03)
170:     torsion ( -2.934,   2.121,  -3.092)  ( -2.933,   2.124,  -3.090)  ( 0.05,  0.15,  0.05)
170:     oop     (  0.014,   0.074,  -0.049)  (  0.011,   0.061,  -0.041)  ( 0.00,  0.09,  0.04)
170:     vdw     ( -0.992, -17.122, -26.344)  ( -0.991, -17.122, -26.343)  ( 0.08,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       (-57.727, -11.202, -33.706)  (-57.717, -11.194, -33.695)  ( 0.02,  0.07,  0.03)
170:     bond    (-28.238, -17.597, -34.196)  (-28.231, -17.594, -34.186)  ( 0.02,  0.01,  0.03)
170:     angle   (  7.423,  -4.071,  -4.039)  (  7.426,  -4.070,  -4.038)  ( 0.04,  0.02,  0.02)
170:     torsion (  0.171,   0.926,  -0.620)  (  0.171,   0.928,  -0.619)  ( 0.00,  0.21,  0.06)
170:     oop     ( -0.002,  -0.011,   0.007)  ( -0.002,  -0.009,   0.006)  ( 0.00,  0.00,  0.00)
170:     vdw     (-37.082,   9.551,   5.142)  (-37.081,   9.551,   5.142)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       ( -3.086,  -6.733,   4.771)  ( -3.080,  -6.722,   4.778)  ( 0.18,  0.17,  0.14)
170:     bond    (  3.610,  -9.358,   5.158)  (  3.612,  -9.348,   5.162)  ( 0.04,  0.11,  0.06)
170:     angle   ( -9.573,  -2.338,   2.462)  ( -9.570,  -2.338,   2.462)  ( 0.04,  0.01,  0.01)
170:     torsion (  0.035,   0.184,   0.307)  (  0.035,   0.185,   0.311)  ( 0.00,  0.02,  0.12)
170:     oop     (  0.000,   0.002,   0.004)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
170:     vdw     (  2.842,   4.777,  -3.160)  (  2.842,   4.777,  -3.160)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       (-50.786,  26.653, -10.315)  (-50.777,  26.662, -10.309)  ( 0.02,  0.03,  0.06)
170:     bond    ( -9.730,  -8.776,   6.304)  ( -9.723,  -8.770,   6.307)  ( 0.07,  0.06,  0.05)
170:     angle   (-43.615,  36.322, -16.724)  (-43.613,  36.324, -16.723)  ( 0.01,  0.01,  0.00)
170:     torsion ( -0.012,  -0.064,  -0.108)  ( -0.012,  -0.063,  -0.105)  ( 0.00,  0.01,  0.03)
170:     oop     (  0.000,   0.001,   0.002)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
170:     vdw     (  2.571,  -0.830,   0.211)  (  2.571,  -0.830,   0.211)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       ( 18.552, -36.973,  15.506)  ( 18.557, -36.964,  15.511)  ( 0.03,  0.02,  0.04)
170:     bond    ( 19.795, -29.611,  20.399)  ( 19.798, -29.604,  20.402)  ( 0.02,  0.02,  0.02)
170:     angle   (  2.872,  -9.105, -16.001)  (  2.874,  -9.104, -15.999)  ( 0.06,  0.02,  0.01)
170:     torsion ( -4.473,  -0.508,   3.603)  ( -4.472,  -0.508,   3.603)  ( 0.01,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.357,   2.251,   7.504)  (  0.357,   2.251,   7.504)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       ( 36.577,  15.060, -24.810)  ( 36.584,  15.067, -24.806)  ( 0.02,  0.05,  0.02)
170:     bond    ( 27.162,  26.884, -15.139)  ( 27.168,  26.890, -15.137)  ( 0.02,  0.02,  0.01)
170:     angle   (  2.427,  -9.455, -12.439)  (  2.428,  -9.453, -12.436)  ( 0.05,  0.01,  0.02)
170:     torsion (  6.153,  -6.780,  -0.999)  (  6.153,  -6.779,  -0.999)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.835,   4.410,   3.766)  (  0.835,   4.410,   3.766)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       (-11.279,  28.142,  28.721)  (-11.271,  28.148,  28.729)  ( 0.06,  0.02,  0.03)
170:     bond    (-22.714,  19.690,  26.873)  (-22.710,  19.693,  26.879)  ( 0.02,  0.02,  0.02)
170:     angle   (-25.556,  -5.794, -17.347)  (-25.554,  -5.793, -17.346)  ( 0.01,  0.03,  0.01)
170:     torsion (  0.856,   6.699,  -4.185)  (  0.856,   6.700,  -4.185)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 36.135,   7.547,  23.381)  ( 36.136,   7.547,  23.381)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 25       ( 30.867,  27.740, -15.486)  ( 30.875,  27.745, -15.480)  ( 0.03,  0.02,  0.04)
170:     bond    ( 29.150,  20.548, -20.555)  ( 29.157,  20.551, -20.551)  ( 0.02,  0.02,  0.02)
170:     angle   (  5.951,   7.443,  15.888)  (  5.952,   7.445,  15.890)  ( 0.02,  0.03,  0.01)
170:     torsion ( -3.753,   1.953,  -3.371)  ( -3.753,   1.953,  -3.371)  ( 0.01,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.482,  -2.204,  -7.448)  ( -0.482,  -2.204,  -7.448)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 26       (-20.778, -21.871, -28.929)  (-20.769, -21.868, -28.921)  ( 0.04,  0.02,  0.03)
170:     bond    (-28.443, -10.256, -26.879)  (-28.436, -10.256, -26.873)  ( 0.02,  0.01,  0.02)
170:     angle   (-21.731,  14.745,  17.364)  (-21.729,  14.747,  17.365)  ( 0.01,  0.01,  0.01)
170:     torsion ( -1.517,  -6.225,   3.980)  ( -1.517,  -6.224,   3.980)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 30.913, -20.135, -23.394)  ( 30.913, -20.135, -23.394)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 27       ( 28.514, -27.461,  24.727)  ( 28.519, -27.450,  24.731)  ( 0.01,  0.04,  0.02)
170:     bond    ( 15.752, -34.951,  15.142)  ( 15.753, -34.941,  15.143)  ( 0.01,  0.03,  0.01)
170:     angle   (  5.736,   7.985,  12.454)  (  5.737,   7.985,  12.456)  ( 0.03,  0.01,  0.02)
170:     torsion (  7.864,   3.952,   0.936)  (  7.865,   3.952,   0.936)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.837,  -4.447,  -3.804)  ( -0.837,  -4.446,  -3.804)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 34 # gradients 
170: ok 35 # energy 
170: 
170: V A L I D A T E   G R A D I E N T S
170: 
170: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
170: ----------------------------------------------------------------------------------------
170:  1       (-90.675, -167.099, -64.344)  (-87.455, -178.051, -63.759)  ( 3.55,  6.55,  0.91)
170:     bond    (-33.270, -17.000, -46.382)  (-33.242, -16.994, -46.354)  ( 0.08,  0.04,  0.06)
170:     angle   (-62.913, -173.302, -32.437)  (-62.903, -173.290, -32.425)  ( 0.02,  0.01,  0.03)
170:     torsion (  6.086, -15.462,   0.527)  (  6.087, -15.461,   0.527)  ( 0.01,  0.01,  0.01)
170:     oop     ( -8.054,  28.772,  -1.032)  ( -4.873,  17.801,  -0.487)  (39.50, 38.13, 52.84)
170:     vdw     (  7.475,   9.893,  14.979)  (  7.476,   9.893,  14.979)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  2       (-103.146,  41.250,  84.469)  (-103.105,  45.401,  84.027)  ( 0.04, 10.06,  0.52)
170:     bond    (-30.404, -27.951, -31.777)  (-30.376, -27.932, -31.758)  ( 0.09,  0.07,  0.06)
170:     angle   (-31.174,  77.031,  52.648)  (-31.161,  77.043,  52.663)  ( 0.04,  0.02,  0.03)
170:     torsion ( -4.894,   4.019,   4.600)  ( -4.893,   4.020,   4.601)  ( 0.02,  0.03,  0.02)
170:     oop     ( -0.033, -10.860,   1.008)  ( -0.033,  -6.741,   0.530)  ( 0.00, 37.93, 47.45)
170:     vdw     (-36.642,  -0.989,  57.990)  (-36.641,  -0.988,  57.991)  ( 0.00,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  3       (-62.268, -66.625,  80.948)  (-60.276, -70.837,  80.021)  ( 3.20,  6.32,  1.15)
170:     bond    ( 20.613,  26.346,  38.389)  ( 20.632,  26.366,  38.415)  ( 0.09,  0.08,  0.07)
170:     angle   (-17.393, -79.455,  -0.302)  (-17.378, -79.443,  -0.289)  ( 0.08,  0.02,  0.39)
170:     torsion ( -4.249,  -5.163,   1.764)  ( -4.248,  -5.162,   1.765)  ( 0.03,  0.03,  0.04)
170:     oop     ( -4.557,  10.144,   2.339)  ( -2.602,   5.897,   1.371)  (42.91, 41.86, 41.37)
170:     vdw     (-56.682, -18.496,  38.758)  (-56.680, -18.496,  38.759)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  4       ( -5.276, 111.452,  24.795)  ( -9.577, 124.457,  23.520)  (81.52, 11.67,  5.14)
170:     bond    (  5.718, -13.679,   1.610)  (  5.745, -13.670,   1.639)  ( 0.49,  0.07,  1.86)
170:     angle   ( -4.728, 149.502,  36.591)  ( -4.717, 149.515,  36.602)  ( 0.23,  0.01,  0.03)
170:     torsion ( -4.261,  13.887,  -0.390)  ( -4.260,  13.888,  -0.390)  ( 0.01,  0.01,  0.01)
170:     oop     ( 10.173, -30.870,   2.958)  (  5.833, -17.888,   1.640)  (42.67, 42.05, 44.54)
170:     vdw     (-12.177,  -7.388, -15.973)  (-12.177,  -7.388, -15.972)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  5       (102.097, -25.297, -59.457)  (102.166, -29.987, -58.713)  ( 0.07, 18.54,  1.25)
170:     bond    ( 25.868,  27.546,  31.723)  ( 25.896,  27.565,  31.742)  ( 0.11,  0.07,  0.06)
170:     angle   ( 24.790, -68.458, -33.211)  ( 24.803, -68.446, -33.196)  ( 0.05,  0.02,  0.05)
170:     torsion (  3.373,  -3.168,  -4.940)  (  3.374,  -3.167,  -4.939)  ( 0.03,  0.04,  0.02)
170:     oop     ( -0.050,  11.256,  -1.573)  ( -0.023,   6.533,  -0.866)  ( 0.14, 41.96, 44.95)
170:     vdw     ( 48.115,   7.528, -51.455)  ( 48.116,   7.528, -51.453)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  6       ( 79.570,  81.165, -78.597)  ( 78.042,  84.901, -77.656)  ( 1.92,  4.60,  1.20)
170:     bond    (-19.273, -25.557, -37.733)  (-19.254, -25.537, -37.706)  ( 0.10,  0.08,  0.07)
170:     angle   ( 29.490,  90.204,  -7.490)  ( 29.505,  90.216,  -7.477)  ( 0.05,  0.01,  0.17)
170:     torsion (  3.940,   6.176,  -2.944)  (  3.941,   6.178,  -2.943)  ( 0.03,  0.02,  0.02)
170:     oop     (  3.919,  -9.828,  -2.445)  (  2.355,  -6.125,  -1.545)  (39.91, 37.67, 36.82)
170:     vdw     ( 61.493,  20.170, -27.985)  ( 61.495,  20.171, -27.985)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  7       (-43.204, -52.831, -65.365)  (-40.815, -56.811, -63.752)  ( 5.53,  7.53,  2.47)
170:     bond    (  0.620,   1.263,   1.049)  (  0.640,   1.284,   1.072)  ( 1.25,  1.69,  2.16)
170:     angle   (-13.478, -60.077, -32.968)  (-13.467, -60.067, -32.957)  ( 0.08,  0.02,  0.03)
170:     torsion ( -0.041,   0.026,   0.006)  ( -0.041,   0.027,   0.006)  ( 0.00,  0.00,  0.00)
170:     oop     ( -5.566,   9.470,  -3.724)  ( -3.208,   5.458,  -2.146)  (42.36, 42.37, 42.38)
170:     vdw     (-24.739,  -3.513, -29.728)  (-24.739,  -3.513, -29.727)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  8       (590.421, -413.338, -453.174)  (588.830, -410.163, -454.033)  ( 0.27,  0.77,  0.19)
170:     bond    (281.609, -267.251, -266.649)  (281.625, -267.221, -266.622)  ( 0.01,  0.01,  0.01)
170:     angle   (301.536, -151.745, -201.468)  (301.544, -151.733, -201.459)  ( 0.00,  0.01,  0.00)
170:     torsion ( -3.751,   8.569,  -5.610)  ( -3.751,   8.569,  -5.608)  ( 0.00,  0.00,  0.03)
170:     oop     (  4.159,  -7.991,   2.085)  (  2.544,  -4.858,   1.187)  (38.83, 39.21, 43.09)
170:     vdw     (  6.867,   5.080,  18.468)  (  6.868,   5.080,  18.469)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:  9       (-252.186,  46.511, 376.531)  (-252.182,  46.516, 376.551)  ( 0.00,  0.01,  0.01)
170:     bond    (-119.597, -128.814, 352.507)  (-119.596, -128.812, 352.526)  ( 0.00,  0.00,  0.01)
170:     angle   (-145.561, 173.633,  14.064)  (-145.558, 173.636,  14.065)  ( 0.00,  0.00,  0.01)
170:     torsion (  3.858,  -1.278,   0.842)  (  3.858,  -1.278,   0.842)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  9.114,   2.971,   9.118)  (  9.114,   2.971,   9.118)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 10       (-174.814, 414.517, 106.449)  (-174.811, 414.541, 106.453)  ( 0.00,  0.01,  0.00)
170:     bond    (-38.911, 392.669, -61.048)  (-38.912, 392.692, -61.049)  ( 0.00,  0.01,  0.00)
170:     angle   (-127.613,  12.252, 160.145)  (-127.610,  12.252, 160.149)  ( 0.00,  0.00,  0.00)
170:     torsion ( -2.732,  -0.720,  -2.890)  ( -2.732,  -0.720,  -2.890)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -5.557,  10.317,  10.242)  ( -5.557,  10.317,  10.242)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 11       (-20.966, -20.102,   4.975)  (-20.928, -20.032,   4.860)  ( 0.18,  0.35,  2.30)
170:     bond    (-41.860,  12.275,   5.586)  (-41.836,  12.302,   5.588)  ( 0.06,  0.22,  0.04)
170:     angle   ( 69.839, -39.509, -31.067)  ( 69.854, -39.497, -31.064)  ( 0.02,  0.03,  0.01)
170:     torsion ( -0.189,  -6.630,  19.989)  ( -0.189,  -6.629,  20.004)  ( 0.00,  0.01,  0.08)
170:     oop     (  0.011,  -0.185,   0.813)  (  0.009,  -0.153,   0.679)  ( 0.00,  0.58, 10.96)
170:     vdw     (-48.767,  13.946,   9.654)  (-48.766,  13.946,   9.654)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 12       (-48.581,  -9.470, -19.172)  (-48.539,  -9.460, -19.017)  ( 0.09,  0.10,  0.81)
170:     bond    ( -0.522,  -5.772,  -1.974)  ( -0.494,  -5.746,  -1.972)  ( 1.41,  0.45,  0.11)
170:     angle   ( -0.732,  44.691,  10.937)  ( -0.720,  44.702,  10.937)  ( 0.94,  0.03,  0.01)
170:     torsion ( -0.099,   3.487, -16.209)  ( -0.099,   3.488, -16.189)  ( 0.00,  0.03,  0.12)
170:     oop     ( -0.009,   0.183,  -0.813)  ( -0.008,   0.154,  -0.681)  ( 0.00,  0.55, 10.78)
170:     vdw     (-47.219, -52.059, -11.113)  (-47.218, -52.058, -11.113)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 13       (  9.293, -180.393, -83.284)  (  9.342, -180.430, -82.952)  ( 0.53,  0.02,  0.40)
170:     bond    ( 24.471,  24.991,   4.696)  ( 24.500,  25.014,   4.698)  ( 0.12,  0.09,  0.05)
170:     angle   ( 25.642, -148.454, -38.576)  ( 25.652, -148.439, -38.575)  ( 0.04,  0.01,  0.00)
170:     torsion ( -0.403,   5.757, -21.735)  ( -0.403,   5.759, -21.714)  ( 0.00,  0.02,  0.09)
170:     oop     ( -0.046,   0.462,  -1.801)  ( -0.038,   0.384,  -1.493)  ( 0.04,  3.62, 17.10)
170:     vdw     (-40.370, -63.151, -25.868)  (-40.369, -63.148, -25.869)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 14       (-42.054, 117.304,  95.769)  (-42.015, 117.511,  95.181)  ( 0.09,  0.18,  0.61)
170:     bond    ( 37.481,  29.457,   7.570)  ( 37.518,  29.484,   7.573)  ( 0.10,  0.09,  0.04)
170:     angle   (-87.919, 119.484,  35.823)  (-87.903, 119.502,  35.823)  ( 0.02,  0.02,  0.00)
170:     torsion (  0.037, -18.981,  76.061)  (  0.037, -18.979,  76.080)  ( 0.00,  0.01,  0.03)
170:     oop     (  0.098,  -0.925,   3.573)  (  0.082,  -0.766,   2.961)  ( 0.16, 14.72, 17.12)
170:     vdw     (  8.249, -11.731, -27.257)  (  8.251, -11.730, -27.257)  ( 0.02,  0.01,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 15       ( -1.243,  58.634, -46.276)  ( -1.214,  58.603, -45.898)  ( 2.34,  0.05,  0.82)
170:     bond    (-12.815, -46.771, -13.270)  (-12.788, -46.744, -13.267)  ( 0.21,  0.06,  0.02)
170:     angle   (-11.262,  40.158,  14.208)  (-11.244,  40.172,  14.209)  ( 0.15,  0.04,  0.01)
170:     torsion ( -0.183,  11.511, -45.098)  ( -0.182,  11.513, -45.079)  ( 0.01,  0.02,  0.04)
170:     oop     (  0.104,   0.467,  -2.195)  (  0.086,   0.393,  -1.840)  ( 0.19,  3.49, 16.15)
170:     vdw     ( 22.912,  53.269,   0.079)  ( 22.914,  53.270,   0.079)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 16       (-70.569,  83.859,  43.385)  (-70.528,  83.986,  43.087)  ( 0.06,  0.15,  0.69)
170:     bond    ( 43.014,  -9.899,   0.673)  ( 43.044,  -9.875,   0.676)  ( 0.07,  0.23,  0.16)
170:     angle   (-68.869,  37.289,   8.467)  (-68.859,  37.304,   8.468)  ( 0.01,  0.04,  0.01)
170:     torsion (  0.769,  -2.246,  11.569)  (  0.769,  -2.244,  11.589)  ( 0.00,  0.06,  0.17)
170:     oop     ( -0.003,  -0.515,   1.925)  ( -0.002,  -0.430,   1.604)  ( 0.00,  4.40, 16.70)
170:     vdw     (-45.480,  59.229,  20.751)  (-45.480,  59.232,  20.751)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 17       (-192.991, -395.724, -129.219)  (-192.952, -395.744, -128.985)  ( 0.02,  0.00,  0.18)
170:     bond    (-83.920, -169.485,  -3.556)  (-83.894, -169.461,  -3.554)  ( 0.03,  0.01,  0.05)
170:     angle   (-42.478, -50.466,  12.902)  (-42.472, -50.457,  12.906)  ( 0.01,  0.02,  0.03)
170:     torsion ( -6.887,  -7.603,  23.877)  ( -6.886,  -7.602,  23.883)  ( 0.01,  0.00,  0.02)
170:     oop     ( -0.030,   0.296,  -1.145)  ( -0.024,   0.239,  -0.925)  ( 0.02,  1.68, 19.26)
170:     vdw     (-59.677, -168.466, -161.298)  (-59.676, -168.463, -161.295)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 18       (112.561, 217.395, -31.782)  (112.595, 217.437, -31.748)  ( 0.03,  0.02,  0.11)
170:     bond    (-49.686, 185.503,  41.124)  (-49.667, 185.531,  41.145)  ( 0.04,  0.02,  0.05)
170:     angle   ( 82.350,  40.943, -55.198)  ( 82.361,  40.956, -55.186)  ( 0.01,  0.03,  0.02)
170:     torsion ( 14.356,   1.064, -19.115)  ( 14.358,   1.065, -19.114)  ( 0.01,  0.09,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 65.542, -10.115,   1.408)  ( 65.543, -10.115,   1.408)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 19       ( -7.556, -40.622,  47.751)  ( -7.528, -40.592,  47.780)  ( 0.37,  0.07,  0.06)
170:     bond    (  8.410,  11.000, -20.862)  (  8.429,  11.018, -20.842)  ( 0.22,  0.17,  0.10)
170:     angle   (-22.599, -32.864,  60.998)  (-22.591, -32.855,  61.007)  ( 0.04,  0.03,  0.01)
170:     torsion ( -9.611,  -2.930,  -2.776)  ( -9.609,  -2.929,  -2.775)  ( 0.01,  0.04,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 16.243, -15.827,  10.390)  ( 16.243, -15.827,  10.390)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 20       (  1.672, -290.290,   5.310)  (  1.753, -290.231,   5.260)  ( 4.83,  0.02,  0.95)
170:     bond    ( 48.860, -351.645,  36.679)  ( 48.891, -351.609,  36.683)  ( 0.06,  0.01,  0.01)
170:     angle   ( 22.349, 106.451, -23.941)  ( 22.368, 106.474, -23.939)  ( 0.09,  0.02,  0.01)
170:     torsion (-11.068,   6.550,   9.919)  (-11.065,   6.550,   9.936)  ( 0.03,  0.01,  0.17)
170:     oop     ( -0.208,   0.011,   0.576)  ( -0.182,   0.010,   0.502)  ( 0.55,  0.00,  4.26)
170:     vdw     (-58.262, -51.657, -17.922)  (-58.260, -51.656, -17.922)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 21       (119.256, 619.890,  24.768)  (119.296, 619.932,  24.770)  ( 0.03,  0.01,  0.01)
170:     bond    (128.450, 492.247,  22.211)  (128.464, 492.286,  22.213)  ( 0.01,  0.01,  0.01)
170:     angle   (-17.445,  89.502, -16.170)  (-17.428,  89.506, -16.167)  ( 0.09,  0.00,  0.01)
170:     torsion (-10.722,   1.793,  30.081)  (-10.721,   1.793,  30.093)  ( 0.02,  0.00,  0.04)
170:     oop     (  0.038,   0.000,  -0.106)  (  0.044,  -0.002,  -0.120)  ( 0.02,  0.00,  0.14)
170:     vdw     ( 18.935,  36.347, -11.248)  ( 18.937,  36.348, -11.248)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 22       (-31.149, -65.327,   7.485)  (-31.139, -65.263,   7.617)  ( 0.03,  0.10,  1.77)
170:     bond    (-184.821, -85.790, -66.524)  (-184.791, -85.756, -66.519)  ( 0.02,  0.04,  0.01)
170:     angle   (174.270, -73.330,  73.268)  (174.287, -73.310,  73.269)  ( 0.01,  0.03,  0.00)
170:     torsion ( -3.641,   0.520,   8.689)  ( -3.637,   0.520,   8.711)  ( 0.09,  0.01,  0.25)
170:     oop     (  0.165,  -0.030,  -0.436)  (  0.125,  -0.023,  -0.332)  ( 0.66,  0.02,  4.54)
170:     vdw     (-17.123,  93.304,  -7.512)  (-17.123,  93.307,  -7.512)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 23       (-23.983, -22.539, -15.355)  (-23.974, -22.473, -15.214)  ( 0.04,  0.29,  0.92)
170:     bond    (107.750, -252.321,  56.463)  (107.775, -252.281,  56.468)  ( 0.02,  0.02,  0.01)
170:     angle   (-188.480, 168.110, -74.826)  (-188.460, 168.128, -74.824)  ( 0.01,  0.01,  0.00)
170:     torsion (  4.764,  -0.733, -12.644)  (  4.767,  -0.733, -12.617)  ( 0.08,  0.01,  0.21)
170:     oop     (  0.167,  -0.024,  -0.427)  (  0.126,  -0.018,  -0.319)  ( 0.69,  0.02,  4.59)
170:     vdw     ( 51.816,  62.429,  16.078)  ( 51.817,  62.430,  16.078)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 24       (-340.956, 471.644, -155.708)  (-340.799, 471.689, -155.922)  ( 0.05,  0.01,  0.14)
170:     bond    (-87.772, 315.177, -53.391)  (-87.729, 315.209, -53.383)  ( 0.05,  0.01,  0.01)
170:     angle   (-266.595, 179.453, -119.794)  (-266.580, 179.480, -119.794)  ( 0.01,  0.02,  0.00)
170:     torsion ( -3.047,   0.367,   8.319)  ( -3.044,   0.367,   8.338)  ( 0.10,  0.00,  0.23)
170:     oop     ( -0.533,   0.079,   1.372)  ( -0.437,   0.065,   1.131)  ( 5.14,  0.12, 17.58)
170:     vdw     ( 16.992, -23.433,   7.787)  ( 16.992, -23.432,   7.787)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 25       (125.716, -305.181,  59.352)  (125.829, -305.134,  59.218)  ( 0.09,  0.02,  0.22)
170:     bond    (-30.214, 190.400, -29.022)  (-30.176, 190.432, -29.016)  ( 0.12,  0.02,  0.02)
170:     angle   (111.351, -427.295,  73.315)  (111.360, -427.271,  73.317)  ( 0.01,  0.01,  0.00)
170:     torsion (  6.776,  -0.115, -18.396)  (  6.779,  -0.115, -18.376)  ( 0.05,  0.00,  0.11)
170:     oop     ( -0.289,   0.080,   0.729)  ( -0.226,   0.067,   0.569)  ( 1.83,  0.11, 11.64)
170:     vdw     ( 38.092, -68.250,  32.725)  ( 38.092, -68.247,  32.725)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 26       (-217.964, -53.713, -70.476)  (-217.943, -53.662, -70.386)  ( 0.01,  0.09,  0.13)
170:     bond    (-129.118, -144.702, -38.830)  (-129.088, -144.673, -38.826)  ( 0.02,  0.02,  0.01)
170:     angle   (-92.939,  94.229, -67.021)  (-92.923,  94.245, -67.016)  ( 0.02,  0.02,  0.01)
170:     torsion ( -0.862,  -0.355,   1.681)  ( -0.860,  -0.355,   1.692)  ( 0.17,  0.01,  0.62)
170:     oop     (  0.159,  -0.034,  -0.406)  (  0.132,  -0.028,  -0.336)  ( 0.43,  0.02,  2.81)
170:     vdw     (  4.796,  -2.851,  34.099)  (  4.796,  -2.851,  34.100)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 27       (309.239, -201.556, 101.651)  (309.302, -201.516, 101.608)  ( 0.02,  0.02,  0.04)
170:     bond    (248.311, -157.888, 106.012)  (248.345, -157.860, 106.018)  ( 0.01,  0.02,  0.01)
170:     angle   ( 48.554, -35.777,  18.789)  ( 48.560, -35.759,  18.792)  ( 0.01,  0.05,  0.01)
170:     torsion (  9.873,  -2.247, -25.452)  (  9.874,  -2.247, -25.445)  ( 0.01,  0.00,  0.03)
170:     oop     ( -0.142,   0.030,   0.372)  ( -0.120,   0.025,   0.314)  ( 0.31,  0.01,  2.16)
170:     vdw     (  2.642,  -5.673,   1.931)  (  2.643,  -5.673,   1.931)  ( 0.02,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 28       ( 87.379, -176.189,  45.678)  ( 87.415, -176.122,  45.774)  ( 0.04,  0.04,  0.21)
170:     bond    (-122.952, 125.551, -56.601)  (-122.912, 125.596, -56.593)  ( 0.03,  0.04,  0.01)
170:     angle   (212.046, -303.014, 100.749)  (212.065, -302.998, 100.753)  ( 0.01,  0.01,  0.00)
170:     torsion ( -1.009,  -0.804,   2.730)  ( -1.007,  -0.804,   2.747)  ( 0.24,  0.01,  0.65)
170:     oop     (  0.144,  -0.028,  -0.384)  (  0.119,  -0.023,  -0.317)  ( 0.35,  0.01,  2.55)
170:     vdw     ( -0.850,   2.107,  -0.816)  ( -0.850,   2.107,  -0.816)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 29       ( 28.638,  80.760,   2.152)  ( 28.598,  80.784,   2.334)  ( 0.14,  0.03,  8.48)
170:     bond    (-13.342,   5.622,  -5.580)  (-13.316,   5.627,  -5.576)  ( 0.19,  0.08,  0.08)
170:     angle   ( 29.775,  77.751,   7.356)  ( 29.777,  77.759,   7.356)  ( 0.00,  0.01,  0.01)
170:     torsion (  1.225,  -0.163,  -3.094)  (  1.225,  -0.163,  -3.091)  ( 0.05,  0.00,  0.12)
170:     oop     (  0.284,  -0.046,  -0.725)  (  0.216,  -0.035,  -0.551)  ( 1.94,  0.05, 12.68)
170:     vdw     ( 10.696,  -2.404,   4.196)  ( 10.696,  -2.404,   4.196)  ( 0.00,  0.02,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 30       (-51.769, 170.421, -28.422)  (-51.718, 170.451, -28.427)  ( 0.10,  0.02,  0.02)
170:     bond    (-57.140,  -0.068, -21.182)  (-57.114,  -0.050, -21.162)  ( 0.05,  0.13,  0.09)
170:     angle   ( -4.494, 146.661, -12.973)  ( -4.484, 146.674, -12.965)  ( 0.24,  0.01,  0.07)
170:     torsion ( -1.064,   4.904,   2.867)  ( -1.063,   4.906,   2.871)  ( 0.05,  0.03,  0.13)
170:     oop     ( -0.060,   0.012,   0.161)  ( -0.046,   0.009,   0.123)  ( 0.08,  0.00,  0.60)
170:     vdw     ( 10.989,  18.912,   2.706)  ( 10.989,  18.913,   2.706)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 31       (-39.625, -46.446,   4.953)  (-39.572, -46.418,   4.932)  ( 0.13,  0.06,  0.43)
170:     bond    ( 24.264,   1.025, -37.484)  ( 24.284,   1.044, -37.464)  ( 0.08,  1.86,  0.05)
170:     angle   (-64.819, -62.366,  28.293)  (-64.808, -62.354,  28.302)  ( 0.02,  0.02,  0.03)
170:     torsion (  1.880,   5.952,   6.218)  (  1.882,   5.952,   6.219)  ( 0.08,  0.01,  0.01)
170:     oop     ( -0.086,   0.018,   0.218)  ( -0.066,   0.014,   0.166)  ( 0.18,  0.01,  1.13)
170:     vdw     ( -0.864,   8.926,   7.708)  ( -0.864,   8.926,   7.708)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 32       ( 17.161,  37.789, -11.581)  ( 17.192,  37.821, -11.550)  ( 0.18,  0.08,  0.27)
170:     bond    ( -6.574, -42.124,  16.847)  ( -6.556, -42.105,  16.867)  ( 0.28,  0.05,  0.12)
170:     angle   ( 18.684,  57.126, -24.812)  ( 18.694,  57.137, -24.802)  ( 0.05,  0.02,  0.04)
170:     torsion (  8.251,  21.142,   0.462)  (  8.253,  21.143,   0.462)  ( 0.03,  0.01,  0.04)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.200,   1.645,  -4.077)  ( -3.200,   1.645,  -4.077)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 33       ( -4.601, -28.457, -17.819)  ( -4.572, -28.428, -17.789)  ( 0.61,  0.10,  0.16)
170:     bond    ( -2.307,  38.602,  27.693)  ( -2.289,  38.622,  27.712)  ( 0.80,  0.05,  0.07)
170:     angle   ( -1.034, -67.182, -17.928)  ( -1.026, -67.173, -17.919)  ( 0.78,  0.01,  0.05)
170:     torsion (  2.723,  -0.138,   0.283)  (  2.724,  -0.137,   0.284)  ( 0.06,  0.01,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -3.981,   0.260, -27.867)  ( -3.981,   0.260, -27.866)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 34       (  9.373,  -5.263,  -5.246)  (  9.379,  -5.250,  -5.243)  ( 0.06,  0.24,  0.06)
170:     bond    (  6.793, -18.562,   0.914)  (  6.794, -18.550,   0.914)  ( 0.03,  0.07,  0.01)
170:     angle   ( 12.826,   4.169, -10.756)  ( 12.830,   4.169, -10.754)  ( 0.03,  0.01,  0.02)
170:     torsion (  6.776,   2.158,  -6.569)  (  6.777,   2.159,  -6.568)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-17.022,   6.971,  11.165)  (-17.022,   6.971,  11.165)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 35       (  8.439,   3.595, -13.990)  (  8.444,   3.600, -13.978)  ( 0.06,  0.12,  0.09)
170:     bond    (  4.852,   7.538, -18.762)  (  4.853,   7.540, -18.751)  ( 0.02,  0.03,  0.06)
170:     angle   ( 17.637,  -2.460,   3.577)  ( 17.641,  -2.458,   3.577)  ( 0.02,  0.08,  0.02)
170:     torsion ( -2.872,   1.678,  -0.068)  ( -2.872,   1.678,  -0.068)  ( 0.01,  0.02,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-11.178,  -3.161,   1.263)  (-11.178,  -3.161,   1.263)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 36       ( 13.034,   2.868,   7.553)  ( 13.047,   2.872,   7.558)  ( 0.11,  0.11,  0.06)
170:     bond    ( 19.930,  -1.163,  -2.917)  ( 19.944,  -1.163,  -2.916)  ( 0.07,  0.01,  0.01)
170:     angle   ( -0.525,   7.456,  -6.566)  ( -0.525,   7.459,  -6.563)  ( 0.00,  0.03,  0.06)
170:     torsion (  0.113,  -3.557,   2.187)  (  0.113,  -3.556,   2.187)  ( 0.00,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -6.484,   0.132,  14.849)  ( -6.484,   0.132,  14.849)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 37       (  7.808,   6.534,   2.461)  (  7.812,   6.547,   2.466)  ( 0.05,  0.20,  0.20)
170:     bond    ( -5.121,  18.462,  -2.248)  ( -5.120,  18.475,  -2.248)  ( 0.02,  0.07,  0.01)
170:     angle   ( 12.554,   2.071, -11.579)  ( 12.556,   2.071, -11.575)  ( 0.02,  0.01,  0.03)
170:     torsion (  8.704,   1.762,  -5.344)  (  8.705,   1.762,  -5.344)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.328, -15.761,  21.633)  ( -8.328, -15.761,  21.633)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 38       (  4.689,   1.345,  14.511)  (  4.695,   1.349,  14.523)  ( 0.11,  0.32,  0.08)
170:     bond    ( -4.521,  -7.164,  18.317)  ( -4.520,  -7.162,  18.328)  ( 0.02,  0.03,  0.06)
170:     angle   ( -8.158,   5.530,   0.150)  ( -8.155,   5.532,   0.151)  ( 0.04,  0.04,  0.01)
170:     torsion (  2.436,  -2.304,  -0.299)  (  2.436,  -2.304,  -0.299)  ( 0.01,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 14.933,   5.283,  -3.657)  ( 14.933,   5.283,  -3.657)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 39       ( -0.359,   4.608,   8.965)  ( -0.353,   4.620,   8.968)  ( 0.21,  0.28,  0.03)
170:     bond    ( -6.686,  18.075,  -0.977)  ( -6.685,  18.088,  -0.977)  ( 0.03,  0.07,  0.01)
170:     angle   (-13.717,  -4.486,  10.782)  (-13.713,  -4.486,  10.784)  ( 0.02,  0.01,  0.02)
170:     torsion ( -5.879,  -1.787,   7.143)  ( -5.879,  -1.787,   7.143)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 25.924,  -7.195,  -7.982)  ( 25.924,  -7.195,  -7.982)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 40       (-15.640,  -4.131,   5.459)  (-15.626,  -4.128,   5.464)  ( 0.09,  0.07,  0.09)
170:     bond    (-20.987,   1.060,   3.290)  (-20.973,   1.060,   3.290)  ( 0.06,  0.01,  0.01)
170:     angle   (  1.888,  -7.800,  14.544)  (  1.888,  -7.797,  14.548)  ( 0.01,  0.03,  0.03)
170:     torsion ( -0.238,   1.144,  -1.889)  ( -0.238,   1.144,  -1.888)  ( 0.00,  0.04,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  3.698,   1.465, -10.486)  (  3.698,   1.466, -10.486)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 41       ( -2.868,  -8.359,   8.203)  ( -2.864,  -8.346,   8.208)  ( 0.14,  0.16,  0.06)
170:     bond    (  5.462, -18.914,   2.362)  (  5.463, -18.901,   2.362)  ( 0.02,  0.07,  0.01)
170:     angle   (-11.884,  -1.457,  15.815)  (-11.882,  -1.457,  15.819)  ( 0.02,  0.01,  0.02)
170:     torsion ( -6.481,  -1.186,   5.499)  ( -6.480,  -1.186,   5.499)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 10.035,  13.198, -15.473)  ( 10.035,  13.198, -15.472)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 42       (  2.797,   3.776,   4.300)  (  2.801,   3.789,   4.303)  ( 0.13,  0.35,  0.08)
170:     bond    ( -3.557,  12.409,  -0.546)  ( -3.556,  12.422,  -0.546)  ( 0.03,  0.10,  0.00)
170:     angle   ( 17.083,   5.825,  21.266)  ( 17.086,   5.825,  21.269)  ( 0.01,  0.00,  0.01)
170:     torsion ( -0.038,  -0.009,   0.033)  ( -0.038,  -0.009,   0.033)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-10.691, -14.448, -16.454)  (-10.691, -14.448, -16.453)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 43       (  8.026,   3.053,   2.790)  (  8.040,   3.056,   2.793)  ( 0.17,  0.09,  0.13)
170:     bond    ( 12.762,  -0.692,  -1.574)  ( 12.775,  -0.692,  -1.574)  ( 0.11,  0.01,  0.02)
170:     angle   (  2.727,   6.099,  19.454)  (  2.727,   6.101,  19.457)  ( 0.00,  0.04,  0.01)
170:     torsion (  0.016,  -0.402,   0.307)  (  0.016,  -0.402,   0.307)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -7.478,  -1.951, -15.397)  ( -7.478,  -1.951, -15.397)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 44       (  1.200,   1.204,   8.941)  (  1.203,   1.208,   8.953)  ( 0.28,  0.36,  0.14)
170:     bond    ( -2.604,  -4.517,  11.804)  ( -2.604,  -4.515,  11.816)  ( 0.02,  0.04,  0.10)
170:     angle   ( 16.627,   9.458,   7.279)  ( 16.629,   9.461,   7.279)  ( 0.01,  0.03,  0.01)
170:     torsion (  0.483,  -0.369,  -0.034)  (  0.483,  -0.369,  -0.034)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (-13.306,  -3.369, -10.108)  (-13.306,  -3.369, -10.108)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 45       ( 38.713,  44.328,   7.887)  ( 38.722,  44.347,   7.854)  ( 0.02,  0.04,  0.42)
170:     bond    ( 43.946,  43.820,   9.845)  ( 43.953,  43.828,   9.845)  ( 0.02,  0.02,  0.01)
170:     angle   ( -4.853,   4.607,   1.140)  ( -4.851,   4.609,   1.140)  ( 0.04,  0.04,  0.01)
170:     torsion ( -0.054,   0.616,  -2.505)  ( -0.054,   0.616,  -2.500)  ( 0.00,  0.02,  0.19)
170:     oop     (  0.003,  -0.054,   0.231)  (  0.002,  -0.045,   0.193)  ( 0.00,  0.05,  0.89)
170:     vdw     ( -0.328,  -4.660,  -0.824)  ( -0.328,  -4.660,  -0.824)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 46       (-18.395,  57.830,  23.586)  (-18.389,  57.857,  23.541)  ( 0.03,  0.05,  0.19)
170:     bond    (-10.669,  53.306,  13.917)  (-10.668,  53.320,  13.918)  ( 0.01,  0.03,  0.01)
170:     angle   ( 40.079,   7.653,   1.404)  ( 40.082,   7.653,   1.404)  ( 0.01,  0.00,  0.00)
170:     torsion (  0.080,  -2.491,   9.598)  (  0.080,  -2.490,   9.602)  ( 0.00,  0.01,  0.05)
170:     oop     (  0.007,  -0.087,   0.339)  (  0.006,  -0.074,   0.289)  ( 0.00,  0.11,  1.71)
170:     vdw     (-47.891,  -0.551,  -1.672)  (-47.889,  -0.551,  -1.672)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 47       ( 12.896, -47.842, -29.476)  ( 12.902, -47.867, -29.330)  ( 0.05,  0.05,  0.50)
170:     bond    ( 16.083, -55.844, -15.523)  ( 16.084, -55.831, -15.522)  ( 0.01,  0.02,  0.01)
170:     angle   ( 16.899,   4.635,   0.843)  ( 16.903,   4.635,   0.843)  ( 0.02,  0.01,  0.00)
170:     torsion ( -0.281,   4.759, -17.416)  ( -0.281,   4.760, -17.411)  ( 0.00,  0.01,  0.03)
170:     oop     ( -0.003,   0.252,  -0.909)  ( -0.003,   0.213,  -0.768)  ( 0.00,  0.98, 12.78)
170:     vdw     (-19.802,  -1.643,   3.528)  (-19.801,  -1.643,   3.528)  ( 0.01,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 48       (-13.369, -21.958,  16.625)  (-13.356, -21.953,  16.629)  ( 0.10,  0.02,  0.02)
170:     bond    (-18.943,  -0.495,   4.460)  (-18.930,  -0.495,   4.461)  ( 0.07,  0.00,  0.02)
170:     angle   (  2.111, -25.347,   6.142)  (  2.111, -25.343,   6.145)  ( 0.01,  0.02,  0.04)
170:     torsion (  2.357,   0.951,  10.106)  (  2.357,   0.952,  10.106)  ( 0.00,  0.04,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  1.107,   2.933,  -4.084)  (  1.107,   2.933,  -4.084)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 49       (  5.762, -15.925,   9.043)  (  5.768, -15.919,   9.052)  ( 0.11,  0.04,  0.10)
170:     bond    (  1.912,   1.900,   3.242)  (  1.915,   1.902,   3.250)  ( 0.15,  0.15,  0.25)
170:     angle   (-32.893,  -8.313,  24.245)  (-32.891,  -8.310,  24.246)  ( 0.01,  0.04,  0.00)
170:     torsion (  0.587,   3.391,  -2.331)  (  0.588,   3.391,  -2.331)  ( 0.03,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( 36.156, -12.903, -16.113)  ( 36.157, -12.903, -16.113)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 50       ( -1.794,  13.571, -14.957)  ( -1.790,  13.584, -14.954)  ( 0.22,  0.09,  0.02)
170:     bond    ( -5.047,  12.898,   0.979)  ( -5.045,  12.910,   0.979)  ( 0.04,  0.09,  0.01)
170:     angle   (  6.345,   3.861, -18.227)  (  6.346,   3.862, -18.224)  ( 0.03,  0.01,  0.01)
170:     torsion ( -2.173,  -0.796,  -0.702)  ( -2.172,  -0.796,  -0.702)  ( 0.02,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -0.919,  -2.393,   2.993)  ( -0.919,  -2.392,   2.993)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 51       (  5.006,  11.117, -16.029)  (  5.019,  11.120, -16.025)  ( 0.26,  0.02,  0.02)
170:     bond    (  7.392,   0.592,  -2.237)  (  7.405,   0.592,  -2.236)  ( 0.17,  0.01,  0.05)
170:     angle   (-10.078,  18.633, -28.438)  (-10.078,  18.635, -28.435)  ( 0.00,  0.01,  0.01)
170:     torsion (  0.198,   2.152,   1.225)  (  0.198,   2.152,   1.225)  ( 0.00,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  7.494, -10.259,  13.421)  (  7.494, -10.259,  13.422)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 52       (  0.874,   5.631, -19.225)  (  0.880,   5.637, -19.217)  ( 0.47,  0.09,  0.05)
170:     bond    ( -6.958,  -6.497, -10.205)  ( -6.955,  -6.494, -10.198)  ( 0.05,  0.05,  0.07)
170:     angle   (  6.830,  14.880, -14.137)  (  6.831,  14.882, -14.136)  ( 0.02,  0.01,  0.01)
170:     torsion (  0.986,  -0.661,  -0.252)  (  0.986,  -0.661,  -0.252)  ( 0.04,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.017,  -2.090,   5.369)  (  0.017,  -2.090,   5.369)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 53       (162.332, -31.360, 165.767)  (162.312, -31.329, 165.841)  ( 0.01,  0.10,  0.04)
170:     bond    ( 20.228, -169.925,  23.926)  ( 20.227, -169.904,  23.926)  ( 0.00,  0.01,  0.00)
170:     angle   ( 33.422,   5.569,  11.284)  ( 33.427,   5.569,  11.285)  ( 0.01,  0.00,  0.01)
170:     torsion ( 11.888,  -2.850, -30.292)  ( 11.888,  -2.850, -30.287)  ( 0.01,  0.00,  0.01)
170:     oop     (  0.236,  -0.056,  -0.599)  (  0.210,  -0.050,  -0.533)  ( 0.62,  0.03,  3.94)
170:     vdw     ( 96.558, 135.903, 161.448)  ( 96.559, 135.906, 161.451)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 54       (  6.868, -11.480,   4.680)  (  6.872, -11.467,   4.683)  ( 0.07,  0.11,  0.06)
170:     bond    ( -3.346,  -9.614,  -0.475)  ( -3.344,  -9.602,  -0.475)  ( 0.05,  0.13,  0.00)
170:     angle   (  4.186,  -1.551,   1.860)  (  4.189,  -1.551,   1.862)  ( 0.07,  0.02,  0.12)
170:     torsion ( -0.343,   0.074,   0.922)  ( -0.343,   0.074,   0.923)  ( 0.00,  0.00,  0.05)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  6.371,  -0.389,   2.373)  (  6.371,  -0.389,   2.373)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 55       (  3.014,   2.398,  11.667)  (  3.022,   2.404,  11.675)  ( 0.24,  0.24,  0.06)
170:     bond    ( -6.207,   5.487,   6.557)  ( -6.202,   5.491,   6.563)  ( 0.08,  0.07,  0.08)
170:     angle   (  0.093,  -6.009,   5.115)  (  0.096,  -6.008,   5.117)  ( 0.02,  0.02,  0.03)
170:     torsion ( -0.228,  -0.987,   0.610)  ( -0.228,  -0.987,   0.610)  ( 0.00,  0.05,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  9.356,   3.907,  -0.615)  (  9.356,   3.907,  -0.615)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 56       ( 10.342,  -0.931,  -8.154)  ( 10.346,  -0.927,  -8.142)  ( 0.04,  0.42,  0.15)
170:     bond    ( -0.146,   4.226,  -9.796)  ( -0.146,   4.229,  -9.784)  ( 0.00,  0.05,  0.12)
170:     angle   (  3.610,  -6.420,  -2.828)  (  3.614,  -6.418,  -2.828)  ( 0.10,  0.03,  0.01)
170:     torsion (  0.452,  -2.813,  -1.222)  (  0.452,  -2.812,  -1.222)  ( 0.00,  0.02,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  6.425,   4.075,   5.692)  (  6.425,   4.075,   5.692)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 57       ( -6.624, -14.288,  -2.175)  ( -6.621, -14.278,  -2.169)  ( 0.05,  0.07,  0.31)
170:     bond    (  0.989, -14.292,  -9.940)  (  0.989, -14.283,  -9.936)  ( 0.01,  0.07,  0.05)
170:     angle   (  8.783,   7.248,  -9.549)  (  8.785,   7.249,  -9.547)  ( 0.03,  0.01,  0.02)
170:     torsion ( -9.476,  -9.922,  13.320)  ( -9.476,  -9.922,  13.320)  ( 0.00,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -6.919,   2.677,   3.994)  ( -6.919,   2.677,   3.994)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 58       (  8.994,  -1.935, -21.348)  (  9.005,  -1.929, -21.345)  ( 0.13,  0.30,  0.01)
170:     bond    ( 12.966,   7.217,  -1.458)  ( 12.977,   7.220,  -1.458)  ( 0.08,  0.05,  0.01)
170:     angle   (  2.755,  -7.423, -12.226)  (  2.756,  -7.421, -12.223)  ( 0.02,  0.03,  0.02)
170:     torsion (  2.153,  -6.788, -14.449)  (  2.153,  -6.787, -14.450)  ( 0.00,  0.01,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -8.881,   5.059,   6.785)  ( -8.881,   5.059,   6.785)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 59       ( -8.671, -11.979,  -0.173)  ( -8.660, -11.973,  -0.169)  ( 0.13,  0.05,  0.06)
170:     bond    (-16.832, -10.136,   1.712)  (-16.822, -10.133,   1.713)  ( 0.06,  0.04,  0.01)
170:     angle   (  6.492,  -9.808,   5.760)  (  6.493,  -9.806,   5.763)  ( 0.01,  0.02,  0.05)
170:     torsion ( -0.020,  -0.277,  -1.833)  ( -0.020,  -0.276,  -1.833)  ( 0.00,  0.02,  0.02)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  1.689,   8.241,  -5.813)  (  1.689,   8.241,  -5.813)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 60       (  0.581, -21.765,  10.171)  (  0.590, -21.757,  10.175)  ( 0.53,  0.03,  0.04)
170:     bond    ( 15.609, -12.895,   6.060)  ( 15.617, -12.890,   6.061)  ( 0.05,  0.04,  0.02)
170:     angle   ( -5.964,  -6.114,   2.360)  ( -5.963,  -6.113,   2.363)  ( 0.02,  0.02,  0.12)
170:     torsion ( -8.008,  -7.854,   3.930)  ( -8.008,  -7.853,   3.930)  ( 0.01,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.057,   5.099,  -2.180)  ( -1.057,   5.099,  -2.179)  ( 0.00,  0.00,  0.01)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 61       (  2.912,  13.405,  16.850)  (  2.914,  13.409,  16.863)  ( 0.09,  0.03,  0.08)
170:     bond    ( -1.242,  -3.976,  13.089)  ( -1.242,  -3.975,  13.101)  ( 0.01,  0.03,  0.10)
170:     angle   ( -1.996,  20.852,   6.138)  ( -1.994,  20.855,   6.138)  ( 0.09,  0.01,  0.00)
170:     torsion (  5.685,  -0.198,   0.479)  (  5.686,  -0.198,   0.479)  ( 0.01,  0.00,  0.00)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  0.465,  -3.273,  -2.855)  (  0.465,  -3.273,  -2.855)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 62       (  0.638,  16.986,   4.348)  (  0.648,  16.991,   4.350)  ( 0.67,  0.04,  0.06)
170:     bond    ( 10.808,   6.980,  -0.988)  ( 10.817,   6.984,  -0.988)  ( 0.09,  0.06,  0.01)
170:     angle   ( -6.882,  12.809,  15.223)  ( -6.881,  12.811,  15.225)  ( 0.01,  0.01,  0.01)
170:     torsion ( -2.284,   2.981,  -3.935)  ( -2.284,   2.981,  -3.935)  ( 0.01,  0.01,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     ( -1.004,  -5.785,  -5.952)  ( -1.004,  -5.784,  -5.952)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: 63       ( -5.490,  12.050,   9.477)  ( -5.480,  12.057,   9.480)  ( 0.17,  0.06,  0.04)
170:     bond    ( -8.767,   6.776,  -2.293)  ( -8.759,   6.781,  -2.292)  ( 0.10,  0.07,  0.03)
170:     angle   (  5.404,  14.181,  21.304)  (  5.405,  14.183,  21.306)  ( 0.02,  0.01,  0.01)
170:     torsion ( -3.779,  -3.434,   4.280)  ( -3.778,  -3.434,   4.281)  ( 0.00,  0.00,  0.01)
170:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170:     vdw     (  1.652,  -5.474, -13.815)  (  1.652,  -5.474, -13.814)  ( 0.00,  0.00,  0.00)
170:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
170: ok 36 # gradients 
170: 1..36
182: ok 3211
182: ok 3212
182: ok 3213
182: ok 3214
182: ok 3215
182: ok 3216
182: ok 3217
182: ok 3218
182: ok 3219
182: ok 3220
182: ok 3221
182: ok 3222
182: ok 3223
182: ok 3224
182: ok 3225
182: ok 3226
182: ok 3227
182: ok 3228
182: ok 3229
182: ok 3230
182: ok 3231
182: ok 3232
182: ok 3233
182: ok 3234
182: ok 3235
182: ok 3236
182: ok 3237
182: ok 3238
182: ok 3239
182: ok 3240
182: ok 3241
182: ok 3242
182: ok 3243
182: ok 3244
182: ok 3245
182: ok 3246
182: ok 3247
182: ok 3248
182: ok 3249
182: ok 3250
182: ok 3251
182: ok 3252
182: ok 3253
182: ok 3254
182: ok 3255
182: ok 3256
182: ok 3257
182: ok 3258
182: ok 3259
182: ok 3260
182: ok 3261
182: ok 3262
182: ok 3263
182: ok 3264
182: ok 3265
182: ok 3266
182: ok 3267
182: ok 3268
182: ok 3269
182: ok 3270
182: ok 3271
182: ok 3272
182: ok 3273
182: ok 3274
182: ok 3275
182: ok 3276
182: ok 3277
182: ok 3278
182: ok 3279
182: ok 3280
182: ok 3281
182: ok 3282
182: ok 3283
182: ok 3284
182: ok 3285
182: ok 3286
182: ok 3287
182: ok 3288
182: ok 3289
182: ok 3290
182: ok 3291
182: ok 3292
182: ok 3293
182: ok 3294
182: ok 3295
182: ok 3296
182: ok 3297
182: ok 3298
182: ok 3299
182: ok 3300
182: ok 3301
182: ok 3302
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182: ok 3305
182: ok 3306
182: ok 3307
182: ok 3308
182: ok 3309
182: ok 3310
182: ok 3311
182: ok 3312
182: ok 3313
182: ok 3314
182: ok 3315
182: ok 3316
182: ok 3317
182: ok 3318
182: ok 3319
182: ok 3320
182: ok 3321
182: ok 3322
182: ok 3323
182: ok 3324
182: ok 3325
182: ok 3326
182: ok 3327
182: ok 3328
182: ok 3329
182: ok 3330
182: ok 3331
182: ok 3332
182: ok 3333
182: ok 3334
182: ok 3335
182: ok 3336
182: ok 3337
182: ok 3338
182: ok 3339
182: ok 3340
182: ok 3341
182: ok 3342
182: ok 3343
182: ok 3344
182: ok 3345
182: ok 3346
182: ok 3347
182: ok 3348
182: ok 3349
182: ok 3350
182: ok 3351
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182: ok 3353
182: ok 3354
182: ok 3355
182: ok 3356
182: ok 3357
182: ok 3358
182: ok 3359
182: ok 3360
182: ok 3361
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182: ok 3363
182: ok 3364
182: ok 3365
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182: ok 3367
182: ok 3368
182: ok 3369
182: ok 3370
182: ok 3371
182: ok 3372
182: ok 3373
182: not ok 3374 - In testEigenvalues(), in line 348, in file /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/math.cpp: expression ( eigenvals[0] < eigenvals[1] && eigenvals[1] < eigenvals[2] ) is false.
182: ok 3375
182: ok 3376
182: ok 3377
182: ok 3378
182: ok 3379
182: ok 3380
182: ok 3381
182: ok 3382
182: ok 3383
182: ok 3384
182: ok 3385
182: ok 3386
182: ok 3387
182: ok 3388
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182: ok 3390
182: ok 3391
182: ok 3392
182: ok 3393
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182: ok 3399
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182: ok 3409
182: ok 3410
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182: ok 3414
182: ok 3415
182: ok 3416
182: ok 3417
182: ok 3418
182: ok 3419
182: ok 3420
182: ok 3421
182: ok 3422
182: ok 3423
182: ok 3424
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182: ok 3426
182: ok 3427
182: ok 3428
182: ok 3429
182: ok 3430
182: ok 3431
182: ok 3432
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182: ok 3434
182: ok 3435
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182: ok 3440
182: ok 3441
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182: ok 3450
182: ok 3451
182: ok 3452
182: ok 3453
182: ok 3454
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182: ok 3459
182: ok 3460
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182: ok 3464
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182: ok 3466
182: ok 3467
182: ok 3468
182: ok 3469
182: ok 3470
182: ok 3471
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182: ok 3664
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182: ok 3864
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182: ok 3873
182: ok 3874
182: ok 3875
182: ok 3876
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182: ok 3880
182: ok 3881
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182: ok 3884
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182: ok 3889
182: ok 3890
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182: ok 3899
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182: ok 3910
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182: ok 3955
182: ok 3956
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182: ok 3990
182: ok 3991
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182: ok 3999
182: ok 4000
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182: ok 4020
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182: ok 4029
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182: ok 4033
182: ok 4034
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182: ok 4041
182: ok 4042
182: ok 4043
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182: ok 4045
182: ok 4046
182: ok 4047
182: ok 4048
182: ok 4049
182: ok 4050
182: ok 4051
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182: ok 4053
182: ok 4054
182: ok 4055
182: ok 4056
182: ok 4057
182: ok 4058
182: ok 4059
182: ok 4060
182: ok 4061
182: ok 4062
182: ok 4063
182: ok 4064
182: ok 4065
182: ok 4066
182: ok 4067
182: ok 4068
182: ok 4069
182: ok 4070
182: ok 4071
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182: ok 4073
182: ok 4074
182: ok 4075
182: ok 4076
182: ok 4077
182: ok 4078
182: ok 4079
182: ok 4080
182: ok 4081
182: ok 4082
182: ok 4083
182: ok 4084
182: ok 4085
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182: ok 4091
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182: ok 4093
182: ok 4094
182: ok 4095
182: ok 4096
182: ok 4097
182: ok 4098
182: ok 4099
182: ok 4100
182: ok 4101
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182: ok 4109
182: ok 4110
182: ok 4111
182: ok 4112
182: ok 4113
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182: ok 4117
182: ok 4118
182: ok 4119
182: ok 4120
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182: ok 4209
182: ok 4210
182: ok 4211
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182: ok 4220
182: ok 4221
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182: ok 4223
182: ok 4224
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182: ok 4226
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182: ok 4229
182: ok 4230
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182: ok 4259
182: ok 4260
182: ok 4261
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182: ok 4263
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182: ok 4280
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182: ok 4297
182: ok 4298
182: ok 4299
182: ok 4300
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182: ok 4355
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182: ok 4358
182: ok 4359
182: ok 4360
182: ok 4361
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182: ok 4363
182: ok 4364
182: ok 4365
182: ok 4366
182: ok 4367
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182: ok 4379
182: ok 4380
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182: ok 4399
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182: ok 4410
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182: ok 4449
182: ok 4450
182: ok 4451
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182: ok 4453
182: ok 4454
182: ok 4455
182: ok 4456
182: ok 4457
182: ok 4458
182: ok 4459
182: ok 4460
182: ok 4461
182: ok 4462
182: ok 4463
182: ok 4464
182: ok 4465
182: ok 4466
182: ok 4467
182: ok 4468
182: ok 4469
182: ok 4470
182: ok 4471
182: ok 4472
182: ok 4473
182: ok 4474
182: ok 4475
182: ok 4476
182: ok 4477
182: ok 4478
182: ok 4479
182: ok 4480
182: ok 4481
182: ok 4482
182: ok 4483
182: ok 4484
182: ok 4485
182: ok 4486
182: ok 4487
182: ok 4488
182: ok 4489
182: ok 4490
182: ok 4491
182: ok 4492
182: ok 4493
182: ok 4494
182: ok 4495
182: ok 4496
182: ok 4497
182: ok 4498
182: ok 4499
182: ok 4500
182: ok 4501
182: ok 4502
182: ok 4503
182: ok 4504
182: ok 4505
182: ok 4506
182: ok 4507
182: ok 4508
182: ok 4509
182: ok 4510
182: ok 4511
182: ok 4512
182: ok 4513
182: ok 4514
182: ok 4515
182: ok 4516
182: ok 4517
182: ok 4518
182: ok 4519
182: ok 4520
182: ok 4521
182: ok 4522
182: ok 4523
182: ok 4524
182: ok 4525
182: ok 4526
182: ok 4527
182: ok 4528
182: ok 4529
182: ok 4530
182: ok 4531
182: ok 4532
182: ok 4533
182: ok 4534
182: ok 4535
182: ok 4536
182: ok 4537
182: ok 4538
182: ok 4539
182: ok 4540
182: ok 4541
182: ok 4542
182: ok 4543
182: ok 4544
182: ok 4545
182: ok 4546
182: ok 4547
182: ok 4548
182: ok 4549
182: ok 4550
182: ok 4551
182: ok 4552
182: ok 4553
182: ok 4554
182: ok 4555
182: ok 4556
182: ok 4557
182: ok 4558
182: ok 4559
182: ok 4560
182: ok 4561
182: ok 4562
182: ok 4563
182: ok 4564
182: ok 4565
182: ok 4566
182: ok 4567
182: ok 4568
182: ok 4569
182: ok 4570
182: ok 4571
182: ok 4572
182: ok 4573
182: ok 4574
182: ok 4575
182: ok 4576
182: ok 4577
182: ok 4578
182: ok 4579
182: ok 4580
182: ok 4581
182: ok 4582
182: ok 4583
182: ok 4584
182: ok 4585
182: ok 4586
182: ok 4587
182: ok 4588
182: ok 4589
182: ok 4590
182: ok 4591
182: ok 4592
182: ok 4593
182: ok 4594
182: ok 4595
182: ok 4596
182: ok 4597
182: ok 4598
182: ok 4599
182: ok 4600
182: ok 4601
182: ok 4602
182: ok 4603
182: ok 4604
182: ok 4605
182: ok 4606
182: ok 4607
182: ok 4608
182: ok 4609
182: ok 4610
182: ok 4611
182: ok 4612
182: ok 4613
182: ok 4614
182: ok 4615
182: ok 4616
182: ok 4617
182: ok 4618
182: ok 4619
182: ok 4620
182: ok 4621
182: ok 4622
182: ok 4623
182: ok 4624
182: ok 4625
182: ok 4626
182: ok 4627
182: ok 4628
182: ok 4629
182: ok 4630
182: ok 4631
182: ok 4632
182: ok 4633
182: ok 4634
182: ok 4635
182: ok 4636
182: ok 4637
182: ok 4638
182: ok 4639
182: ok 4640
182: ok 4641
182: ok 4642
182: ok 4643
182: ok 4644
182: ok 4645
182: ok 4646
182: ok 4647
182: ok 4648
182: ok 4649
182: ok 4650
182: ok 4651
182: ok 4652
182: ok 4653
182: ok 4654
182: ok 4655
182: ok 4656
182: ok 4657
182: ok 4658
182: ok 4659
182: ok 4660
182: ok 4661
182: ok 4662
182: ok 4663
182: ok 4664
182: ok 4665
182: ok 4666
182: ok 4667
182: ok 4668
182: ok 4669
182: ok 4670
182: ok 4671
182: ok 4672
182: ok 4673
182: ok 4674
182: ok 4675
182: ok 4676
182: ok 4677
182: ok 4678
182: ok 4679
182: ok 4680
182: ok 4681
182: ok 4682
182: ok 4683
182: ok 4684
182: ok 4685
182: ok 4686
182: ok 4687
182: ok 4688
182: ok 4689
182: ok 4690
182: ok 4691
182: ok 4692
182: ok 4693
182: ok 4694
182: ok 4695
182: ok 4696
182: ok 4697
182: ok 4698
182: ok 4699
182: ok 4700
182: ok 4701
182: ok 4702
182: ok 4703
182: ok 4704
182: ok 4705
182: ok 4706
182: ok 4707
182: ok 4708
182: ok 4709
182: ok 4710
182: ok 4711
182: ok 4712
182: ok 4713
182: ok 4714
182: ok 4715
182: ok 4716
182: ok 4717
182: ok 4718
182: ok 4719
182: ok 4720
182: ok 4721
182: ok 4722
182: ok 4723
182: ok 4724
182: ok 4725
182: ok 4726
182: ok 4727
182: ok 4728
182: ok 4729
182: ok 4730
182: ok 4731
182: ok 4732
182: ok 4733
182: ok 4734
182: ok 4735
182: ok 4736
182: ok 4737
182: ok 4738
182: ok 4739
182: ok 4740
182: ok 4741
182: ok 4742
182: ok 4743
182: ok 4744
182: ok 4745
182: ok 4746
182: ok 4747
182: ok 4748
182: ok 4749
182: ok 4750
182: ok 4751
182: ok 4752
182: ok 4753
182: ok 4754
182: ok 4755
182: ok 4756
182: ok 4757
182: ok 4758
182: ok 4759
182: ok 4760
182: ok 4761
182: ok 4762
182: ok 4763
182: ok 4764
182: ok 4765
182: ok 4766
182: ok 4767
182: ok 4768
182: ok 4769
182: ok 4770
182: ok 4771
182: ok 4772
182: ok 4773
182: ok 4774
182: ok 4775
182: ok 4776
182: ok 4777
182: ok 4778
182: ok 4779
182: ok 4780
182: ok 4781
182: ok 4782
182: ok 4783
182: ok 4784
182: ok 4785
182: ok 4786
182: ok 4787
182: ok 4788
182: ok 4789
182: ok 4790
182: ok 4791
182: ok 4792
182: ok 4793
182: ok 4794
182: ok 4795
182: ok 4796
182: ok 4797
182: ok 4798
182: ok 4799
182: ok 4800
182: ok 4801
182: ok 4802
182: ok 4803
182: ok 4804
182: ok 4805
182: ok 4806
182: ok 4807
182: ok 4808
182: ok 4809
182: ok 4810
182: ok 4811
182: ok 4812
182: ok 4813
182: ok 4814
182: ok 4815
182: ok 4816
182: ok 4817
182: ok 4818
182: ok 4819
182: ok 4820
182: ok 4821
182: ok 4822
182: ok 4823
182: ok 4824
182: ok 4825
182: ok 4826
182: ok 4827
182: ok 4828
182: ok 4829
182: ok 4830
182: ok 4831
182: ok 4832
182: ok 4833
182: ok 4834
182: ok 4835
182: ok 4836
182: ok 4837
182: ok 4838
182: ok 4839
182: ok 4840
182: ok 4841
182: ok 4842
182: ok 4843
182: ok 4844
182: ok 4845
182: ok 4846
182: ok 4847
182: ok 4848
182: ok 4849
182: ok 4850
182: ok 4851
182: ok 4852
182: ok 4853
182: ok 4854
182: ok 4855
182: ok 4856
182: ok 4857
182: ok 4858
182: ok 4859
182: ok 4860
182: ok 4861
182: ok 4862
182: ok 4863
182: ok 4864
182: ok 4865
182: ok 4866
182: ok 4867
182: ok 4868
182: ok 4869
182: ok 4870
182: ok 4871
182: ok 4872
182: ok 4873
182: ok 4874
182: ok 4875
182: ok 4876
182: ok 4877
182: ok 4878
182: ok 4879
182: ok 4880
182: ok 4881
182: ok 4882
182: ok 4883
182: ok 4884
182: ok 4885
182: ok 4886
182: ok 4887
182: ok 4888
182: ok 4889
182: ok 4890
182: ok 4891
182: ok 4892
182: ok 4893
182: ok 4894
182: ok 4895
182: ok 4896
182: ok 4897
182: ok 4898
182: ok 4899
182: ok 4900
182: ok 4901
182: ok 4902
182: ok 4903
182: ok 4904
182: ok 4905
182: ok 4906
182: ok 4907
182: ok 4908
182: ok 4909
182: ok 4910
182: ok 4911
182: ok 4912
182: ok 4913
182: ok 4914
182: ok 4915
182: ok 4916
182: ok 4917
182: ok 4918
182: ok 4919
182: ok 4920
182: ok 4921
182: ok 4922
182: ok 4923
182: ok 4924
182: ok 4925
182: ok 4926
182: ok 4927
182: ok 4928
182: ok 4929
182: ok 4930
182: ok 4931
182: ok 4932
182: ok 4933
182: ok 4934
182: ok 4935
182: ok 4936
182: ok 4937
182: ok 4938
182: ok 4939
182: ok 4940
182: ok 4941
182: ok 4942
182: ok 4943
182: ok 4944
182: ok 4945
182: ok 4946
182: ok 4947
182: ok 4948
182: ok 4949
182: ok 4950
182: ok 4951
182: ok 4952
182: ok 4953
182: ok 4954
182: ok 4955
182: ok 4956
182: ok 4957
182: ok 4958
182: ok 4959
182: ok 4960
182: ok 4961
182: ok 4962
182: ok 4963
182: ok 4964
182: ok 4965
182: ok 4966
182: ok 4967
182: ok 4968
182: ok 4969
182: ok 4970
182: ok 4971
182: ok 4972
182: ok 4973
182: ok 4974
182: ok 4975
182: ok 4976
182: ok 4977
182: ok 4978
182: ok 4979
182: ok 4980
182: ok 4981
182: ok 4982
182: ok 4983
182: ok 4984
182: ok 4985
182: ok 4986
182: ok 4987
182: ok 4988
182: ok 4989
182: ok 4990
182: ok 4991
182: ok 4992
182: ok 4993
182: ok 4994
182: ok 4995
182: ok 4996
182: ok 4997
182: ok 4998
182: ok 4999
182: ok 5000
182: ok 5001
182: ok 5002
182: ok 5003
182: ok 5004
182: ok 5005
182: ok 5006
182: ok 5007
182: ok 5008
182: ok 5009
182: ok 5010
182: ok 5011
182: ok 5012
182: ok 5013
182: ok 5014
182: ok 5015
182: ok 5016
182: ok 5017
182: ok 5018
182: ok 5019
182: ok 5020
182: ok 5021
182: ok 5022
182: ok 5023
182: ok 5024
182: ok 5025
182: ok 5026
182: ok 5027
182: ok 5028
182: ok 5029
182: ok 5030
182: ok 5031
182: ok 5032
182: ok 5033
182: ok 5034
182: ok 5035
182: ok 5036
182: ok 5037
182: ok 5038
182: ok 5039
182: ok 5040
182: ok 5041
182: ok 5042
182: ok 5043
182: ok 5044
182: ok 5045
182: ok 5046
182: ok 5047
182: ok 5048
182: ok 5049
182: ok 5050
182: ok 5051
182: ok 5052
182: ok 5053
182: ok 5054
182: ok 5055
182: ok 5056
182: ok 5057
182: ok 5058
182: ok 5059
182: ok 5060
182: ok 5061
182: ok 5062
182: ok 5063
182: ok 5064
182: ok 5065
182: ok 5066
182: ok 5067
182: ok 5068
182: ok 5069
182: ok 5070
182: ok 5071
182: ok 5072
182: ok 5073
182: ok 5074
182: ok 5075
182: ok 5076
182: ok 5077
182: ok 5078
182: ok 5079
182: ok 5080
182: ok 5081
182: ok 5082
182: ok 5083
182: ok 5084
182: ok 5085
182: ok 5086
182: ok 5087
182: ok 5088
182: ok 5089
182: ok 5090
182: ok 5091
182: ok 5092
182: ok 5093
182: ok 5094
182: ok 5095
182: ok 5096
182: ok 5097
182: ok 5098
182: ok 5099
182: ok 5100
182: ok 5101
182: ok 5102
182: ok 5103
182: ok 5104
182: ok 5105
182: ok 5106
182: ok 5107
182: ok 5108
182: ok 5109
182: ok 5110
182: ok 5111
182: ok 5112
182: ok 5113
182: ok 5114
182: ok 5115
182: ok 5116
182: ok 5117
182: ok 5118
182: ok 5119
182: ok 5120
182: ok 5121
182: ok 5122
182: ok 5123
182: ok 5124
182: ok 5125
182: ok 5126
182: ok 5127
182: ok 5128
182: ok 5129
182: ok 5130
182: ok 5131
182: ok 5132
182: ok 5133
182: ok 5134
182: ok 5135
182: ok 5136
182: ok 5137
182: ok 5138
182: ok 5139
182: ok 5140
182: ok 5141
182: ok 5142
182: ok 5143
182: ok 5144
182: ok 5145
182: ok 5146
182: ok 5147
182: ok 5148
182: ok 5149
182: ok 5150
182: ok 5151
182: ok 5152
182: ok 5153
182: ok 5154
182: ok 5155
182: ok 5156
182: ok 5157
182: ok 5158
182: ok 5159
182: ok 5160
182: ok 5161
182: ok 5162
182: ok 5163
182: ok 5164
182: ok 5165
182: ok 5166
182: ok 5167
182: ok 5168
182: ok 5169
182: ok 5170
182: ok 5171
182: ok 5172
182: ok 5173
182: ok 5174
182: ok 5175
182: ok 5176
182: ok 5177
182: ok 5178
182: ok 5179
182: ok 5180
182: ok 5181
182: ok 5182
182: ok 5183
182: ok 5184
182: ok 5185
182: ok 5186
182: ok 5187
182: ok 5188
182: ok 5189
182: ok 5190
182: ok 5191
182: ok 5192
182: ok 5193
182: ok 5194
182: ok 5195
182: ok 5196
182: ok 5197
182: ok 5198
182: ok 5199
182: ok 5200
182: ok 5201
182: ok 5202
182: ok 5203
182: ok 5204
182: ok 5205
182: ok 5206
182: ok 5207
182: ok 5208
182: ok 5209
182: ok 5210
182: ok 5211
182: ok 5212
182: ok 5213
182: ok 5214
182: ok 5215
182: ok 5216
182: ok 5217
182: ok 5218
182: ok 5219
182: ok 5220
182: ok 5221
182: ok 5222
182: ok 5223
182: ok 5224
182: ok 5225
182: ok 5226
182: ok 5227
182: ok 5228
182: ok 5229
182: ok 5230
182: ok 5231
182: ok 5232
182: ok 5233
182: ok 5234
182: ok 5235
182: ok 5236
182: ok 5237
182: ok 5238
182: ok 5239
182: ok 5240
182: ok 5241
182: ok 5242
182: ok 5243
182: ok 5244
182: ok 5245
182: ok 5246
182: ok 5247
182: ok 5248
182: ok 5249
182: ok 5250
182: ok 5251
182: ok 5252
182: ok 5253
182: ok 5254
182: ok 5255
182: ok 5256
182: ok 5257
182: ok 5258
182: ok 5259
182: ok 5260
182: ok 5261
182: ok 5262
182: ok 5263
182: ok 5264
182: ok 5265
182: ok 5266
182: ok 5267
182: ok 5268
182: ok 5269
182: ok 5270
182: ok 5271
182: ok 5272
182: ok 5273
182: ok 5274
182: ok 5275
182: ok 5276
182: ok 5277
182: ok 5278
182: ok 5279
182: ok 5280
182: ok 5281
182: ok 5282
182: ok 5283
182: ok 5284
182: ok 5285
182: ok 5286
182: ok 5287
182: ok 5288
182: ok 5289
182: ok 5290
182: ok 5291
182: ok 5292
182: ok 5293
182: ok 5294
182: ok 5295
182: ok 5296
182: ok 5297
182: ok 5298
182: ok 5299
182: ok 5300
182: ok 5301
182: ok 5302
182: ok 5303
182: ok 5304
182: ok 5305
182: ok 5306
182: ok 5307
182: ok 5308
182: ok 5309
182: ok 5310
182: ok 5311
182: ok 5312
182: ok 5313
182: ok 5314
182: ok 5315
182: ok 5316
182: ok 5317
182: ok 5318
182: ok 5319
182: ok 5320
182: ok 5321
182: ok 5322
182: ok 5323
182: ok 5324
182: ok 5325
182: ok 5326
182: ok 5327
182: ok 5328
182: ok 5329
182: ok 5330
182: ok 5331
182: ok 5332
182: ok 5333
182: ok 5334
182: ok 5335
182: ok 5336
182: ok 5337
182: ok 5338
182: ok 5339
182: ok 5340
182: ok 5341
182: ok 5342
182: ok 5343
182: ok 5344
182: ok 5345
182: ok 5346
182: ok 5347
182: ok 5348
182: ok 5349
182: ok 5350
182: ok 5351
182: ok 5352
182: ok 5353
182: ok 5354
182: ok 5355
182: ok 5356
182: ok 5357
182: ok 5358
182: ok 5359
182: ok 5360
182: ok 5361
182: ok 5362
182: ok 5363
182: ok 5364
182: ok 5365
182: ok 5366
182: ok 5367
182: ok 5368
182: ok 5369
182: ok 5370
182: ok 5371
182: ok 5372
182: ok 5373
182: ok 5374
182: ok 5375
182: ok 5376
182: ok 5377
182: ok 5378
182: ok 5379
182: ok 5380
182: ok 5381
182: ok 5382
182: ok 5383
182: ok 5384
182: ok 5385
182: ok 5386
182: ok 5387
182: ok 5388
182: ok 5389
182: ok 5390
182: ok 5391
182: ok 5392
182: ok 5393
182: ok 5394
182: ok 5395
182: ok 5396
182: ok 5397
182: ok 5398
182: ok 5399
182: ok 5400
182: ok 5401
182: ok 5402
182: ok 5403
182: ok 5404
182: ok 5405
182: ok 5406
182: ok 5407
182: ok 5408
182: ok 5409
182: ok 5410
182: ok 5411
182: ok 5412
182: ok 5413
182: ok 5414
182: ok 5415
182: ok 5416
182: ok 5417
182: ok 5418
182: ok 5419
182: ok 5420
182: ok 5421
182: ok 5422
182: ok 5423
182: ok 5424
182: ok 5425
182: ok 5426
182: ok 5427
182: ok 5428
182: ok 5429
182: ok 5430
182: ok 5431
182: ok 5432
182: ok 5433
182: ok 5434
182: ok 5435
182: ok 5436
182: ok 5437
182: ok 5438
182: ok 5439
182: ok 5440
182: ok 5441
182: ok 5442
182: ok 5443
182: ok 5444
182: ok 5445
182: ok 5446
182: ok 5447
182: ok 5448
182: ok 5449
182: ok 5450
182: ok 5451
182: ok 5452
182: ok 5453
182: ok 5454
182: ok 5455
182: ok 5456
182: ok 5457
182: ok 5458
182: ok 5459
182: ok 5460
182: ok 5461
182: ok 5462
182: ok 5463
182: ok 5464
182: ok 5465
182: ok 5466
182: ok 5467
182: ok 5468
182: ok 5469
182: ok 5470
182: ok 5471
182: ok 5472
182: ok 5473
182: ok 5474
182: ok 5475
182: ok 5476
182: ok 5477
182: ok 5478
182: ok 5479
182: ok 5480
182: ok 5481
182: ok 5482
182: ok 5483
182: ok 5484
182: ok 5485
182: ok 5486
182: ok 5487
182: ok 5488
182: ok 5489
182: ok 5490
182: ok 5491
182: ok 5492
182: ok 5493
182: ok 5494
182: ok 5495
182: ok 5496
182: ok 5497
182: ok 5498
182: ok 5499
182: ok 5500
182: ok 5501
182: ok 5502
182: ok 5503
182: ok 5504
182: ok 5505
182: ok 5506
182: ok 5507
182: ok 5508
182: ok 5509
182: ok 5510
182: ok 5511
182: ok 5512
182: ok 5513
182: ok 5514
182: ok 5515
182: ok 5516
182: ok 5517
182: ok 5518
182: ok 5519
182: ok 5520
182: ok 5521
182: ok 5522
182: ok 5523
182: ok 5524
182: ok 5525
182: ok 5526
182: ok 5527
182: ok 5528
182: ok 5529
182: ok 5530
182: ok 5531
182: ok 5532
182: ok 5533
182: ok 5534
182: ok 5535
182: ok 5536
182: ok 5537
182: ok 5538
182: ok 5539
182: ok 5540
182: ok 5541
182: ok 5542
182: ok 5543
182: ok 5544
182: ok 5545
182: ok 5546
182: ok 5547
182: ok 5548
182: ok 5549
182: ok 5550
182: ok 5551
182: ok 5552
182: ok 5553
182: ok 5554
182: ok 5555
182: ok 5556
182: ok 5557
182: ok 5558
182: ok 5559
182: ok 5560
182: ok 5561
182: ok 5562
182: ok 5563
182: ok 5564
182: ok 5565
182: ok 5566
182: ok 5567
182: ok 5568
182: ok 5569
182: ok 5570
182: ok 5571
182: ok 5572
182: ok 5573
182: ok 5574
182: ok 5575
182: ok 5576
182: ok 5577
182: ok 5578
182: ok 5579
182: ok 5580
182: ok 5581
182: ok 5582
182: ok 5583
182: ok 5584
182: ok 5585
182: ok 5586
182: ok 5587
182: ok 5588
182: ok 5589
182: ok 5590
182: ok 5591
182: ok 5592
182: ok 5593
182: ok 5594
182: ok 5595
182: ok 5596
182: ok 5597
182: ok 5598
182: ok 5599
182: ok 5600
182: ok 5601
182: ok 5602
182: ok 5603
182: ok 5604
182: ok 5605
182: ok 5606
182: ok 5607
182: ok 5608
182: ok 5609
182: ok 5610
182: ok 5611
182: ok 5612
182: ok 5613
182: ok 5614
182: ok 5615
182: ok 5616
182: ok 5617
182: ok 5618
182: ok 5619
182: ok 5620
182: ok 5621
182: ok 5622
182: ok 5623
182: ok 5624
182: ok 5625
182: ok 5626
182: ok 5627
182: ok 5628
182: ok 5629
182: ok 5630
182: ok 5631
182: ok 5632
182: ok 5633
182: ok 5634
182: ok 5635
182: ok 5636
182: ok 5637
182: ok 5638
182: ok 5639
182: ok 5640
182: ok 5641
182: ok 5642
182: ok 5643
182: ok 5644
182: ok 5645
182: ok 5646
182: ok 5647
182: ok 5648
182: ok 5649
182: ok 5650
182: ok 5651
182: ok 5652
182: ok 5653
182: ok 5654
182: ok 5655
182: ok 5656
182: ok 5657
182: ok 5658
182: ok 5659
182: ok 5660
182: ok 5661
182: ok 5662
182: ok 5663
182: ok 5664
182: ok 5665
182: ok 5666
182: ok 5667
182: ok 5668
182: ok 5669
182: ok 5670
182: ok 5671
182: ok 5672
182: ok 5673
182: ok 5674
182: ok 5675
182: ok 5676
182: ok 5677
182: ok 5678
182: ok 5679
182: ok 5680
182: ok 5681
182: ok 5682
182: ok 5683
182: ok 5684
182: ok 5685
182: ok 5686
182: ok 5687
182: ok 5688
182: ok 5689
182: ok 5690
182: ok 5691
182: ok 5692
182: ok 5693
182: ok 5694
182: ok 5695
182: ok 5696
182: ok 5697
182: ok 5698
182: ok 5699
182: ok 5700
182: ok 5701
182: ok 5702
182: ok 5703
182: ok 5704
182: ok 5705
182: ok 5706
182: ok 5707
182: ok 5708
182: ok 5709
182: ok 5710
182: ok 5711
182: ok 5712
182: ok 5713
182: ok 5714
182: ok 5715
182: ok 5716
182: ok 5717
182: ok 5718
182: ok 5719
182: ok 5720
182: ok 5721
182: ok 5722
182: ok 5723
182: ok 5724
182: ok 5725
182: ok 5726
182: ok 5727
182: ok 5728
182: ok 5729
182: ok 5730
182: ok 5731
182: ok 5732
182: ok 5733
182: ok 5734
182: ok 5735
182: ok 5736
182: ok 5737
182: ok 5738
182: ok 5739
182: ok 5740
182: ok 5741
182: ok 5742
182: ok 5743
182: ok 5744
182: ok 5745
182: ok 5746
182: ok 5747
182: ok 5748
182: ok 5749
182: ok 5750
182: ok 5751
182: ok 5752
182: ok 5753
182: ok 5754
182: ok 5755
182: ok 5756
182: ok 5757
182: ok 5758
182: ok 5759
182: ok 5760
182: ok 5761
182: ok 5762
182: ok 5763
182: ok 5764
182: ok 5765
182: ok 5766
182: ok 5767
182: ok 5768
182: ok 5769
182: ok 5770
182: ok 5771
182: ok 5772
182: ok 5773
182: ok 5774
182: ok 5775
182: ok 5776
182: ok 5777
182: ok 5778
182: ok 5779
182: ok 5780
182: ok 5781
182: ok 5782
182: ok 5783
182: ok 5784
182: ok 5785
182: ok 5786
182: ok 5787
182: ok 5788
182: ok 5789
182: ok 5790
182: ok 5791
182: ok 5792
182: ok 5793
182: ok 5794
182: ok 5795
182: ok 5796
182: ok 5797
182: ok 5798
182: ok 5799
182: ok 5800
182: ok 5801
182: ok 5802
182: ok 5803
182: ok 5804
182: ok 5805
182: ok 5806
182: ok 5807
182: ok 5808
182: ok 5809
182: ok 5810
182: ok 5811
182: ok 5812
182: ok 5813
182: ok 5814
182: ok 5815
182: ok 5816
182: ok 5817
182: ok 5818
182: ok 5819
182: ok 5820
182: ok 5821
182: ok 5822
182: ok 5823
182: ok 5824
182: ok 5825
182: ok 5826
182: ok 5827
182: ok 5828
182: ok 5829
182: ok 5830
182: ok 5831
182: ok 5832
182: ok 5833
182: ok 5834
182: ok 5835
182: ok 5836
182: ok 5837
182: ok 5838
182: ok 5839
182: ok 5840
182: ok 5841
182: ok 5842
182: ok 5843
182: ok 5844
182: ok 5845
182: ok 5846
182: ok 5847
182: ok 5848
182: ok 5849
182: ok 5850
182: ok 5851
182: ok 5852
182: ok 5853
182: ok 5854
182: ok 5855
182: ok 5856
182: ok 5857
182: ok 5858
182: ok 5859
182: ok 5860
182: ok 5861
182: ok 5862
182: ok 5863
182: ok 5864
182: ok 5865
182: ok 5866
182: ok 5867
182: ok 5868
182: ok 5869
182: ok 5870
182: ok 5871
182: ok 5872
182: ok 5873
182: ok 5874
182: ok 5875
182: ok 5876
182: ok 5877
182: ok 5878
182: ok 5879
182: ok 5880
182: ok 5881
182: ok 5882
182: ok 5883
182: ok 5884
182: ok 5885
182: ok 5886
182: ok 5887
182: ok 5888
182: ok 5889
182: ok 5890
182: ok 5891
182: ok 5892
182: ok 5893
182: ok 5894
182: ok 5895
182: ok 5896
182: ok 5897
182: ok 5898
182: ok 5899
182: ok 5900
182: ok 5901
182: ok 5902
182: ok 5903
182: ok 5904
182: ok 5905
182: ok 5906
182: ok 5907
182: ok 5908
182: ok 5909
182: ok 5910
182: ok 5911
182: ok 5912
182: ok 5913
182: ok 5914
182: ok 5915
182: ok 5916
182: ok 5917
182: ok 5918
182: ok 5919
182: ok 5920
182: ok 5921
182: ok 5922
182: ok 5923
182: ok 5924
182: ok 5925
182: ok 5926
182: ok 5927
182: ok 5928
182: ok 5929
182: ok 5930
182: ok 5931
182: ok 5932
182: ok 5933
182: ok 5934
182: ok 5935
182: ok 5936
182: ok 5937
182: ok 5938
182: ok 5939
182: ok 5940
182: ok 5941
182: ok 5942
182: ok 5943
182: ok 5944
182: ok 5945
182: ok 5946
182: ok 5947
182: ok 5948
182: ok 5949
182: ok 5950
182: ok 5951
182: ok 5952
182: ok 5953
182: ok 5954
182: ok 5955
182: ok 5956
182: ok 5957
182: ok 5958
182: ok 5959
182: ok 5960
182: ok 5961
182: ok 5962
182: ok 5963
182: ok 5964
182: ok 5965
182: ok 5966
182: ok 5967
182: ok 5968
182: ok 5969
182: ok 5970
182: ok 5971
182: ok 5972
182: ok 5973
182: ok 5974
182: ok 5975
182: ok 5976
182: ok 5977
182: ok 5978
182: ok 5979
182: ok 5980
182: ok 5981
182: ok 5982
182: ok 5983
182: ok 5984
182: ok 5985
182: ok 5986
182: ok 5987
182: ok 5988
182: ok 5989
182: ok 5990
182: ok 5991
182: ok 5992
182: ok 5993
182: ok 5994
182: ok 5995
182: ok 5996
182: ok 5997
182: ok 5998
182: ok 5999
182: ok 6000
182: ok 6001
182: ok 6002
182: ok 6003
182: ok 6004
182: ok 6005
182: ok 6006
182: ok 6007
182: ok 6008
182: ok 6009
182: ok 6010
182: ok 6011
182: ok 6012
182: ok 6013
182: ok 6014
182: ok 6015
182: ok 6016
182: ok 6017
182: ok 6018
182: ok 6019
182: ok 6020
182: ok 6021
182: ok 6022
182: ok 6023
182: ok 6024
182: ok 6025
182: ok 6026
182: ok 6027
182: ok 6028
182: ok 6029
182: ok 6030
182: ok 6031
182: ok 6032
182: ok 6033
182: ok 6034
182: ok 6035
182: ok 6036
182: ok 6037
182: ok 6038
182: ok 6039
182: ok 6040
182: ok 6041
182: ok 6042
182: ok 6043
182: ok 6044
182: ok 6045
182: ok 6046
182: ok 6047
182: ok 6048
182: ok 6049
182: ok 6050
182: ok 6051
182: ok 6052
182: ok 6053
182: ok 6054
182: ok 6055
182: ok 6056
182: ok 6057
182: ok 6058
182: ok 6059
182: ok 6060
182: ok 6061
182: ok 6062
182: ok 6063
182: ok 6064
182: ok 6065
182: ok 6066
182: ok 6067
182: ok 6068
182: ok 6069
182: ok 6070
182: ok 6071
182: ok 6072
182: ok 6073
182: ok 6074
182: ok 6075
182: ok 6076
182: ok 6077
182: ok 6078
182: ok 6079
182: ok 6080
182: ok 6081
182: ok 6082
182: ok 6083
182: ok 6084
182: ok 6085
182: ok 6086
182: ok 6087
182: ok 6088
182: ok 6089
182: ok 6090
182: ok 6091
182: ok 6092
182: ok 6093
182: ok 6094
182: ok 6095
182: ok 6096
182: ok 6097
182: ok 6098
182: ok 6099
182: ok 6100
182: ok 6101
182: ok 6102
182: ok 6103
182: ok 6104
182: ok 6105
182: ok 6106
182: ok 6107
182: ok 6108
182: ok 6109
182: ok 6110
182: ok 6111
182: ok 6112
182: ok 6113
182: ok 6114
182: ok 6115
182: ok 6116
182: ok 6117
182: ok 6118
182: ok 6119
182: ok 6120
182: ok 6121
182: ok 6122
182: ok 6123
182: ok 6124
182: ok 6125
182: ok 6126
182: ok 6127
182: ok 6128
182: ok 6129
182: ok 6130
182: ok 6131
182: ok 6132
182: ok 6133
182: ok 6134
182: ok 6135
182: ok 6136
182: ok 6137
182: ok 6138
182: ok 6139
182: ok 6140
182: ok 6141
182: ok 6142
182: ok 6143
182: ok 6144
182: ok 6145
182: ok 6146
182: ok 6147
182: ok 6148
182: ok 6149
182: ok 6150
182: ok 6151
182: ok 6152
182: ok 6153
182: ok 6154
182: ok 6155
182: ok 6156
182: ok 6157
182: ok 6158
182: ok 6159
182: ok 6160
182: ok 6161
182: ok 6162
182: ok 6163
182: ok 6164
182: ok 6165
182: ok 6166
182: ok 6167
182: ok 6168
182: ok 6169
182: ok 6170
182: ok 6171
182: ok 6172
182: ok 6173
182: ok 6174
182: ok 6175
182: ok 6176
182: ok 6177
182: ok 6178
182: ok 6179
182: ok 6180
182: ok 6181
182: ok 6182
182: ok 6183
182: ok 6184
182: ok 6185
182: ok 6186
182: ok 6187
182: ok 6188
182: ok 6189
182: ok 6190
182: ok 6191
182: ok 6192
182: ok 6193
182: ok 6194
182: ok 6195
182: ok 6196
182: ok 6197
182: ok 6198
182: ok 6199
182: ok 6200
182: ok 6201
182: ok 6202
182: ok 6203
182: ok 6204
182: ok 6205
182: ok 6206
182: ok 6207
182: ok 6208
182: ok 6209
182: ok 6210
182: ok 6211
182: ok 6212
182: ok 6213
182: ok 6214
182: ok 6215
182: ok 6216
182: ok 6217
182: ok 6218
182: ok 6219
182: ok 6220
182: ok 6221
182: ok 6222
182: ok 6223
182: ok 6224
182: ok 6225
182: ok 6226
182: ok 6227
182: ok 6228
182: ok 6229
182: ok 6230
182: ok 6231
182: ok 6232
182: ok 6233
182: ok 6234
182: ok 6235
182: ok 6236
182: ok 6237
182: ok 6238
182: ok 6239
182: ok 6240
182: ok 6241
182: ok 6242
182: ok 6243
182: ok 6244
182: ok 6245
182: ok 6246
182: ok 6247
182: ok 6248
182: ok 6249
182: ok 6250
182: ok 6251
182: ok 6252
182: ok 6253
182: ok 6254
182: ok 6255
182: ok 6256
182: ok 6257
182: ok 6258
182: ok 6259
182: ok 6260
182: ok 6261
182: ok 6262
182: ok 6263
182: ok 6264
182: ok 6265
182: ok 6266
182: ok 6267
182: ok 6268
182: ok 6269
182: ok 6270
182: ok 6271
182: ok 6272
182: ok 6273
182: ok 6274
182: ok 6275
182: ok 6276
182: ok 6277
182: ok 6278
182: ok 6279
182: ok 6280
182: ok 6281
182: ok 6282
182: ok 6283
182: ok 6284
182: ok 6285
182: ok 6286
182: ok 6287
182: ok 6288
182: ok 6289
182: ok 6290
182: ok 6291
182: ok 6292
182: ok 6293
182: ok 6294
182: ok 6295
182: ok 6296
182: ok 6297
182: ok 6298
182: ok 6299
182: ok 6300
182: ok 6301
182: ok 6302
182: ok 6303
182: ok 6304
182: ok 6305
182: ok 6306
182: ok 6307
182: ok 6308
182: ok 6309
182: ok 6310
182: ok 6311
182: ok 6312
182: ok 6313
182: ok 6314
182: ok 6315
182: ok 6316
182: ok 6317
182: ok 6318
182: ok 6319
182: ok 6320
182: ok 6321
182: ok 6322
182: ok 6323
182: ok 6324
182: ok 6325
182: ok 6326
182: ok 6327
182: ok 6328
182: ok 6329
182: ok 6330
182: ok 6331
182: ok 6332
182: ok 6333
182: ok 6334
182: ok 6335
182: ok 6336
182: ok 6337
182: ok 6338
182: ok 6339
182: ok 6340
182: ok 6341
182: ok 6342
182: ok 6343
182: ok 6344
182: ok 6345
182: ok 6346
182: ok 6347
182: ok 6348
182: ok 6349
182: ok 6350
182: ok 6351
182: ok 6352
182: ok 6353
182: ok 6354
182: ok 6355
182: ok 6356
182: ok 6357
182: ok 6358
182: ok 6359
182: ok 6360
182: ok 6361
182: ok 6362
182: ok 6363
182: ok 6364
182: ok 6365
182: ok 6366
182: ok 6367
182: ok 6368
182: ok 6369
182: ok 6370
182: ok 6371
182: ok 6372
182: ok 6373
182: ok 6374
182: ok 6375
182: ok 6376
182: ok 6377
182: ok 6378
182: ok 6379
182: ok 6380
182: ok 6381
182: ok 6382
182: ok 6383
182: ok 6384
182: ok 6385
182: ok 6386
182: ok 6387
182: ok 6388
182: ok 6389
182: ok 6390
182: ok 6391
182: ok 6392
182: ok 6393
182: ok 6394
182: ok 6395
182: ok 6396
182: ok 6397
182: ok 6398
182: ok 6399
182: ok 6400
182: ok 6401
182: ok 6402
182: ok 6403
182: ok 6404
182: ok 6405
182: ok 6406
182: ok 6407
182: ok 6408
182: ok 6409
182: ok 6410
182: ok 6411
182: ok 6412
182: ok 6413
182: ok 6414
182: ok 6415
182: ok 6416
182: ok 6417
182: ok 6418
182: ok 6419
182: ok 6420
182: ok 6421
182: ok 6422
182: ok 6423
182: ok 6424
182: ok 6425
182: ok 6426
182: ok 6427
182: ok 6428
182: ok 6429
182: ok 6430
182: ok 6431
182: ok 6432
182: ok 6433
182: ok 6434
182: ok 6435
182: ok 6436
182: ok 6437
182: ok 6438
182: ok 6439
182: ok 6440
182: ok 6441
182: ok 6442
182: ok 6443
182: ok 6444
182: ok 6445
182: ok 6446
182: ok 6447
182: ok 6448
182: ok 6449
182: ok 6450
182: ok 6451
182: ok 6452
182: ok 6453
182: ok 6454
182: ok 6455
182: ok 6456
182: ok 6457
182: ok 6458
182: ok 6459
182: ok 6460
182: ok 6461
182: ok 6462
182: ok 6463
182: ok 6464
182: ok 6465
182: ok 6466
182: ok 6467
182: ok 6468
182: ok 6469
182: ok 6470
182: ok 6471
182: ok 6472
182: ok 6473
182: ok 6474
182: ok 6475
182: ok 6476
182: ok 6477
182: ok 6478
182: ok 6479
182: ok 6480
182: ok 6481
182: ok 6482
182: ok 6483
182: ok 6484
182: ok 6485
182: ok 6486
182: ok 6487
182: ok 6488
182: ok 6489
182: ok 6490
182: ok 6491
182: ok 6492
182: ok 6493
182: ok 6494
182: ok 6495
182: ok 6496
182: ok 6497
182: ok 6498
182: ok 6499
182: ok 6500
182: ok 6501
182: ok 6502
182: ok 6503
182: ok 6504
182: ok 6505
182: ok 6506
182: ok 6507
182: ok 6508
182: ok 6509
182: ok 6510
182: ok 6511
182: ok 6512
182: ok 6513
182: ok 6514
182: ok 6515
182: ok 6516
182: ok 6517
182: ok 6518
182: ok 6519
182: ok 6520
182: ok 6521
182: ok 6522
182: ok 6523
182: ok 6524
182: ok 6525
182: ok 6526
182: ok 6527
182: ok 6528
182: ok 6529
182: ok 6530
182: ok 6531
182: ok 6532
182: ok 6533
182: ok 6534
182: ok 6535
182: ok 6536
182: ok 6537
182: ok 6538
182: ok 6539
182: ok 6540
182: ok 6541
182: ok 6542
182: ok 6543
182: ok 6544
182: ok 6545
182: ok 6546
182: ok 6547
182: ok 6548
182: ok 6549
182: ok 6550
182: ok 6551
182: ok 6552
182: ok 6553
182: ok 6554
182: ok 6555
182: ok 6556
182: ok 6557
182: ok 6558
182: ok 6559
182: ok 6560
182: ok 6561
182: ok 6562
182: ok 6563
182: ok 6564
182: ok 6565
182: ok 6566
182: ok 6567
182: ok 6568
182: ok 6569
182: ok 6570
182: ok 6571
182: ok 6572
182: ok 6573
182: ok 6574
182: ok 6575
182: ok 6576
182: ok 6577
182: ok 6578
182: ok 6579
182: ok 6580
182: ok 6581
182: ok 6582
182: ok 6583
182: ok 6584
182: ok 6585
182: ok 6586
182: ok 6587
182: ok 6588
182: ok 6589
182: ok 6590
182: ok 6591
182: ok 6592
182: ok 6593
182: ok 6594
182: ok 6595
182: ok 6596
182: ok 6597
182: ok 6598
182: ok 6599
182: ok 6600
182: ok 6601
182: ok 6602
182: ok 6603
182: ok 6604
182: ok 6605
182: ok 6606
182: ok 6607
182: ok 6608
182: ok 6609
182: ok 6610
182: ok 6611
182: ok 6612
182: ok 6613
182: ok 6614
182: ok 6615
182: ok 6616
182: ok 6617
182: ok 6618
182: ok 6619
182: ok 6620
182: ok 6621
182: ok 6622
182: ok 6623
182: ok 6624
182: ok 6625
182: ok 6626
182: ok 6627
182: ok 6628
182: ok 6629
182: ok 6630
182: ok 6631
182: ok 6632
182: ok 6633
182: ok 6634
182: ok 6635
182: ok 6636
182: ok 6637
182: ok 6638
182: ok 6639
182: ok 6640
182: ok 6641
182: ok 6642
182: ok 6643
182: ok 6644
182: ok 6645
182: ok 6646
182: ok 6647
182: ok 6648
182: ok 6649
182: ok 6650
182: ok 6651
182: ok 6652
182: ok 6653
182: ok 6654
182: ok 6655
182: ok 6656
182: ok 6657
182: ok 6658
182: ok 6659
182: ok 6660
182: ok 6661
182: ok 6662
182: ok 6663
182: ok 6664
182: ok 6665
182: ok 6666
182: ok 6667
182: ok 6668
182: ok 6669
182: ok 6670
182: ok 6671
182: ok 6672
182: ok 6673
182: ok 6674
182: ok 6675
182: ok 6676
182: ok 6677
182: ok 6678
182: ok 6679
182: ok 6680
182: ok 6681
182: ok 6682
182: ok 6683
182: ok 6684
182: ok 6685
182: ok 6686
182: ok 6687
182: ok 6688
182: ok 6689
182: ok 6690
182: ok 6691
182: ok 6692
182: ok 6693
182: ok 6694
182: ok 6695
182: ok 6696
182: ok 6697
182: ok 6698
182: ok 6699
182: ok 6700
182: ok 6701
182: ok 6702
182: ok 6703
182: ok 6704
182: ok 6705
182: ok 6706
182: ok 6707
182: ok 6708
182: ok 6709
182: ok 6710
182: ok 6711
182: ok 6712
182: ok 6713
182: ok 6714
182: ok 6715
182: ok 6716
182: ok 6717
182: ok 6718
182: ok 6719
182: ok 6720
182: ok 6721
182: ok 6722
182: ok 6723
182: ok 6724
182: ok 6725
182: ok 6726
182: ok 6727
182: ok 6728
182: ok 6729
182: ok 6730
182: ok 6731
182: ok 6732
182: ok 6733
182: ok 6734
182: ok 6735
182: ok 6736
182: ok 6737
182: ok 6738
182: ok 6739
182: ok 6740
182: ok 6741
182: ok 6742
182: ok 6743
182: ok 6744
182: ok 6745
182: ok 6746
182: ok 6747
182: ok 6748
182: ok 6749
182: ok 6750
182: ok 6751
182: ok 6752
182: ok 6753
182: ok 6754
182: ok 6755
182: ok 6756
182: ok 6757
182: ok 6758
182: ok 6759
182: ok 6760
182: ok 6761
182: ok 6762
182: ok 6763
182: ok 6764
182: ok 6765
182: ok 6766
182: ok 6767
182: ok 6768
182: ok 6769
182: ok 6770
182: ok 6771
182: ok 6772
182: ok 6773
182: ok 6774
182: ok 6775
182: ok 6776
182: ok 6777
182: ok 6778
182: ok 6779
182: ok 6780
182: ok 6781
182: ok 6782
182: ok 6783
182: ok 6784
182: ok 6785
182: ok 6786
182: ok 6787
182: ok 6788
182: ok 6789
182: ok 6790
182: ok 6791
182: ok 6792
182: ok 6793
182: ok 6794
182: ok 6795
182: ok 6796
182: ok 6797
182: ok 6798
182: ok 6799
182: ok 6800
182: ok 6801
182: ok 6802
182: ok 6803
182: ok 6804
182: ok 6805
182: ok 6806
182: ok 6807
182: ok 6808
182: ok 6809
182: ok 6810
182: ok 6811
182: ok 6812
182: ok 6813
182: ok 6814
182: ok 6815
182: ok 6816
182: ok 6817
182: ok 6818
182: ok 6819
182: ok 6820
182: ok 6821
182: ok 6822
182: ok 6823
182: ok 6824
182: ok 6825
182: ok 6826
182: ok 6827
182: ok 6828
182: ok 6829
182: ok 6830
182: ok 6831
182: ok 6832
182: ok 6833
182: ok 6834
182: ok 6835
182: ok 6836
182: ok 6837
182: ok 6838
182: ok 6839
182: ok 6840
182: ok 6841
182: ok 6842
182: ok 6843
182: ok 6844
182: ok 6845
182: ok 6846
182: ok 6847
182: ok 6848
182: ok 6849
182: ok 6850
182: ok 6851
182: ok 6852
182: ok 6853
182: ok 6854
182: ok 6855
182: ok 6856
182: ok 6857
182: ok 6858
182: ok 6859
182: ok 6860
182: ok 6861
182: ok 6862
182: ok 6863
182: ok 6864
182: ok 6865
182: ok 6866
182: ok 6867
182: ok 6868
182: ok 6869
182: ok 6870
182: ok 6871
182: ok 6872
182: ok 6873
182: ok 6874
182: ok 6875
182: ok 6876
182: ok 6877
182: ok 6878
182: ok 6879
182: ok 6880
182: ok 6881
182: ok 6882
182: ok 6883
182: ok 6884
182: ok 6885
182: ok 6886
182: ok 6887
182: ok 6888
182: ok 6889
182: ok 6890
182: ok 6891
182: ok 6892
182: ok 6893
182: ok 6894
182: ok 6895
182: ok 6896
182: ok 6897
182: ok 6898
182: ok 6899
182: ok 6900
182: ok 6901
182: ok 6902
182: ok 6903
182: ok 6904
182: ok 6905
182: ok 6906
182: ok 6907
182: ok 6908
182: ok 6909
182: ok 6910
182: ok 6911
182: ok 6912
182: ok 6913
182: ok 6914
182: ok 6915
182: ok 6916
182: ok 6917
182: ok 6918
182: ok 6919
182: ok 6920
182: ok 6921
182: ok 6922
182: ok 6923
182: ok 6924
182: ok 6925
182: ok 6926
182: ok 6927
182: ok 6928
182: ok 6929
182: ok 6930
182: ok 6931
182: ok 6932
182: ok 6933
182: ok 6934
182: ok 6935
182: ok 6936
182: ok 6937
182: ok 6938
182: ok 6939
182: ok 6940
182: ok 6941
182: ok 6942
182: ok 6943
182: ok 6944
182: ok 6945
182: ok 6946
182: ok 6947
182: ok 6948
182: ok 6949
182: ok 6950
182: ok 6951
182: ok 6952
182: ok 6953
182: ok 6954
182: ok 6955
182: ok 6956
182: ok 6957
182: ok 6958
182: ok 6959
182: ok 6960
182: ok 6961
182: ok 6962
182: ok 6963
182: ok 6964
182: ok 6965
182: ok 6966
182: ok 6967
182: ok 6968
182: ok 6969
182: ok 6970
182: ok 6971
182: ok 6972
182: ok 6973
182: ok 6974
182: ok 6975
182: ok 6976
182: ok 6977
182: ok 6978
182: ok 6979
182: ok 6980
182: ok 6981
182: ok 6982
182: ok 6983
182: ok 6984
182: ok 6985
182: ok 6986
182: ok 6987
182: ok 6988
182: ok 6989
182: ok 6990
182: ok 6991
182: ok 6992
182: ok 6993
182: ok 6994
182: ok 6995
182: ok 6996
182: ok 6997
182: ok 6998
182: ok 6999
182: ok 7000
182: # math: failed testEigenvalues
182: # math: entering testEigenvectors
182: ok 7001
182: ok 7002
182: ok 7003
182: ok 7004
182: ok 7005
182: ok 7006
182: ok 7007
182: ok 7008
182: ok 7009
182: ok 7010
182: ok 7011
182: ok 7012
182: ok 7013
182: ok 7014
182: ok 7015
182: ok 7016
182: ok 7017
182: ok 7018
182: ok 7019
182: ok 7020
182: ok 7021
182: ok 7022
182: ok 7023
182: ok 7024
182: ok 7025
182: ok 7026
182: ok 7027
182: ok 7028
182: ok 7029
182: ok 7030
182: ok 7031
182: ok 7032
182: ok 7033
182: ok 7034
182: ok 7035
182: ok 7036
182: ok 7037
182: ok 7038
182: ok 7039
182: ok 7040
182: ok 7041
182: ok 7042
182: ok 7043
182: ok 7044
182: ok 7045
182: ok 7046
182: ok 7047
182: ok 7048
182: ok 7049
182: ok 7050
182: ok 7051
182: ok 7052
182: ok 7053
182: ok 7054
182: ok 7055
182: ok 7056
182: ok 7057
182: ok 7058
182: ok 7059
182: ok 7060
182: ok 7061
182: ok 7062
182: ok 7063
182: ok 7064
182: ok 7065
182: ok 7066
182: ok 7067
182: ok 7068
182: ok 7069
182: ok 7070
182: ok 7071
182: ok 7072
182: ok 7073
182: ok 7074
182: ok 7075
182: ok 7076
182: ok 7077
182: ok 7078
182: ok 7079
182: ok 7080
182: ok 7081
182: ok 7082
182: ok 7083
182: ok 7084
182: ok 7085
182: ok 7086
182: ok 7087
182: ok 7088
182: ok 7089
182: ok 7090
182: ok 7091
182: ok 7092
182: ok 7093
182: ok 7094
182: ok 7095
182: ok 7096
182: ok 7097
182: ok 7098
182: ok 7099
182: ok 7100
182: ok 7101
182: ok 7102
182: ok 7103
182: ok 7104
182: ok 7105
182: ok 7106
182: ok 7107
182: ok 7108
182: ok 7109
182: ok 7110
182: ok 7111
182: ok 7112
182: ok 7113
182: ok 7114
182: ok 7115
182: ok 7116
182: ok 7117
182: ok 7118
182: ok 7119
182: ok 7120
182: ok 7121
182: ok 7122
182: ok 7123
182: ok 7124
182: ok 7125
182: ok 7126
182: ok 7127
182: ok 7128
182: ok 7129
182: ok 7130
182: ok 7131
182: ok 7132
182: ok 7133
182: ok 7134
182: ok 7135
182: ok 7136
182: ok 7137
182: ok 7138
182: ok 7139
182: ok 7140
182: ok 7141
182: ok 7142
182: ok 7143
182: ok 7144
182: ok 7145
182: ok 7146
182: ok 7147
182: ok 7148
182: ok 7149
182: ok 7150
182: ok 7151
182: ok 7152
182: ok 7153
182: ok 7154
182: ok 7155
182: ok 7156
182: ok 7157
182: ok 7158
182: ok 7159
182: ok 7160
182: ok 7161
182: ok 7162
182: ok 7163
182: ok 7164
182: ok 7165
182: ok 7166
182: ok 7167
182: ok 7168
182: ok 7169
182: ok 7170
182: ok 7171
182: ok 7172
182: ok 7173
182: ok 7174
182: ok 7175
182: ok 7176
182: ok 7177
182: ok 7178
182: ok 7179
182: ok 7180
182: ok 7181
182: ok 7182
182: ok 7183
182: ok 7184
182: ok 7185
182: ok 7186
182: ok 7187
182: ok 7188
182: ok 7189
182: ok 7190
182: ok 7191
182: ok 7192
182: ok 7193
182: ok 7194
182: ok 7195
182: ok 7196
182: ok 7197
182: ok 7198
182: ok 7199
182: ok 7200
182: ok 7201
182: ok 7202
182: ok 7203
182: ok 7204
182: ok 7205
182: ok 7206
182: ok 7207
182: ok 7208
182: ok 7209
182: ok 7210
182: ok 7211
182: ok 7212
182: ok 7213
182: ok 7214
182: ok 7215
182: ok 7216
182: ok 7217
182: ok 7218
182: ok 7219
182: ok 7220
182: ok 7221
182: ok 7222
182: ok 7223
182: ok 7224
182: ok 7225
182: ok 7226
182: ok 7227
182: ok 7228
182: ok 7229
182: ok 7230
182: ok 7231
182: ok 7232
182: ok 7233
182: ok 7234
182: ok 7235
182: ok 7236
182: ok 7237
182: ok 7238
182: ok 7239
182: ok 7240
182: ok 7241
182: ok 7242
182: ok 7243
182: ok 7244
182: ok 7245
182: ok 7246
182: ok 7247
182: ok 7248
182: ok 7249
182: ok 7250
182: ok 7251
182: ok 7252
182: ok 7253
182: ok 7254
182: ok 7255
182: ok 7256
182: ok 7257
182: ok 7258
182: ok 7259
182: ok 7260
182: ok 7261
182: ok 7262
182: ok 7263
182: ok 7264
182: ok 7265
182: ok 7266
182: ok 7267
182: ok 7268
182: ok 7269
182: ok 7270
182: ok 7271
182: ok 7272
182: ok 7273
182: ok 7274
182: ok 7275
182: ok 7276
182: ok 7277
182: ok 7278
182: ok 7279
182: ok 7280
182: ok 7281
182: ok 7282
182: ok 7283
182: ok 7284
182: ok 7285
182: ok 7286
182: ok 7287
182: ok 7288
182: ok 7289
182: ok 7290
182: ok 7291
182: ok 7292
182: ok 7293
182: ok 7294
182: ok 7295
182: ok 7296
182: ok 7297
182: ok 7298
182: ok 7299
182: ok 7300
182: ok 7301
182: ok 7302
182: ok 7303
182: ok 7304
182: ok 7305
182: ok 7306
182: ok 7307
182: ok 7308
182: ok 7309
182: ok 7310
182: ok 7311
182: ok 7312
182: ok 7313
182: ok 7314
182: ok 7315
182: ok 7316
182: ok 7317
182: ok 7318
182: ok 7319
182: ok 7320
182: ok 7321
182: ok 7322
182: ok 7323
182: ok 7324
182: ok 7325
182: ok 7326
182: ok 7327
182: ok 7328
182: ok 7329
182: ok 7330
182: ok 7331
182: ok 7332
182: ok 7333
182: ok 7334
182: ok 7335
182: ok 7336
182: ok 7337
182: ok 7338
182: ok 7339
182: ok 7340
182: ok 7341
182: ok 7342
182: ok 7343
182: ok 7344
182: ok 7345
182: ok 7346
182: ok 7347
182: ok 7348
182: ok 7349
182: ok 7350
182: ok 7351
182: ok 7352
182: ok 7353
182: ok 7354
182: ok 7355
182: ok 7356
182: ok 7357
182: ok 7358
182: ok 7359
182: ok 7360
182: ok 7361
182: ok 7362
182: ok 7363
182: ok 7364
182: ok 7365
182: ok 7366
182: ok 7367
182: ok 7368
182: ok 7369
182: ok 7370
182: ok 7371
182: ok 7372
182: ok 7373
182: ok 7374
182: ok 7375
182: ok 7376
182: ok 7377
182: ok 7378
182: ok 7379
182: ok 7380
182: ok 7381
182: ok 7382
182: ok 7383
182: ok 7384
182: ok 7385
182: ok 7386
182: ok 7387
182: ok 7388
182: ok 7389
182: ok 7390
182: ok 7391
182: ok 7392
182: ok 7393
182: ok 7394
182: ok 7395
182: ok 7396
182: ok 7397
182: ok 7398
182: ok 7399
182: ok 7400
182: ok 7401
182: ok 7402
182: ok 7403
182: ok 7404
182: ok 7405
182: ok 7406
182: ok 7407
182: ok 7408
182: ok 7409
182: ok 7410
182: ok 7411
182: ok 7412
182: ok 7413
182: ok 7414
182: ok 7415
182: ok 7416
182: ok 7417
182: ok 7418
182: ok 7419
182: ok 7420
182: ok 7421
182: ok 7422
182: ok 7423
182: ok 7424
182: ok 7425
182: ok 7426
182: ok 7427
182: ok 7428
182: ok 7429
182: ok 7430
182: ok 7431
182: ok 7432
182: ok 7433
182: ok 7434
182: ok 7435
182: ok 7436
182: ok 7437
182: ok 7438
182: ok 7439
182: ok 7440
182: ok 7441
182: ok 7442
182: ok 7443
182: ok 7444
182: ok 7445
182: ok 7446
182: ok 7447
182: ok 7448
182: ok 7449
182: ok 7450
182: ok 7451
182: ok 7452
182: ok 7453
182: ok 7454
182: ok 7455
182: ok 7456
182: ok 7457
182: ok 7458
182: ok 7459
182: ok 7460
182: ok 7461
182: ok 7462
182: ok 7463
182: ok 7464
182: ok 7465
182: ok 7466
182: ok 7467
182: ok 7468
182: ok 7469
182: ok 7470
182: ok 7471
182: ok 7472
182: ok 7473
182: ok 7474
182: ok 7475
182: ok 7476
182: ok 7477
182: ok 7478
182: ok 7479
182: ok 7480
182: ok 7481
182: ok 7482
182: ok 7483
182: ok 7484
182: ok 7485
182: ok 7486
182: ok 7487
182: ok 7488
182: ok 7489
182: ok 7490
182: ok 7491
182: ok 7492
182: ok 7493
182: ok 7494
182: ok 7495
182: ok 7496
182: ok 7497
182: ok 7498
182: ok 7499
182: ok 7500
182: ok 7501
182: ok 7502
182: ok 7503
182: ok 7504
182: ok 7505
182: ok 7506
182: ok 7507
182: ok 7508
182: ok 7509
182: ok 7510
182: ok 7511
182: ok 7512
182: ok 7513
182: ok 7514
182: ok 7515
182: ok 7516
182: ok 7517
182: ok 7518
182: ok 7519
182: ok 7520
182: ok 7521
182: ok 7522
182: ok 7523
182: ok 7524
182: ok 7525
182: ok 7526
182: ok 7527
182: ok 7528
182: ok 7529
182: ok 7530
182: ok 7531
182: ok 7532
182: ok 7533
182: ok 7534
182: ok 7535
182: ok 7536
182: ok 7537
182: ok 7538
182: ok 7539
182: ok 7540
182: ok 7541
182: ok 7542
182: ok 7543
182: ok 7544
182: ok 7545
182: ok 7546
182: ok 7547
182: ok 7548
182: ok 7549
182: ok 7550
182: ok 7551
182: ok 7552
182: ok 7553
182: ok 7554
182: ok 7555
182: ok 7556
182: ok 7557
182: ok 7558
182: ok 7559
182: ok 7560
182: ok 7561
182: ok 7562
182: ok 7563
182: ok 7564
182: ok 7565
182: ok 7566
182: ok 7567
182: ok 7568
182: ok 7569
182: ok 7570
182: ok 7571
182: ok 7572
182: ok 7573
182: ok 7574
182: ok 7575
182: ok 7576
182: ok 7577
182: ok 7578
182: ok 7579
182: ok 7580
182: ok 7581
182: ok 7582
182: ok 7583
182: ok 7584
182: ok 7585
182: ok 7586
182: ok 7587
182: ok 7588
182: ok 7589
182: ok 7590
182: ok 7591
182: ok 7592
182: ok 7593
182: ok 7594
182: ok 7595
182: ok 7596
182: ok 7597
182: ok 7598
182: ok 7599
182: ok 7600
182: ok 7601
182: ok 7602
182: ok 7603
182: ok 7604
182: ok 7605
182: ok 7606
182: ok 7607
182: ok 7608
182: ok 7609
182: ok 7610
182: ok 7611
182: ok 7612
182: ok 7613
182: ok 7614
182: ok 7615
182: ok 7616
182: ok 7617
182: ok 7618
182: ok 7619
182: ok 7620
182: ok 7621
182: ok 7622
182: ok 7623
182: ok 7624
182: ok 7625
182: ok 7626
182: ok 7627
182: ok 7628
182: ok 7629
182: ok 7630
182: ok 7631
182: ok 7632
182: ok 7633
182: ok 7634
182: ok 7635
182: ok 7636
182: ok 7637
182: ok 7638
182: ok 7639
182: ok 7640
182: ok 7641
182: ok 7642
182: ok 7643
182: ok 7644
182: ok 7645
182: ok 7646
182: ok 7647
182: ok 7648
182: ok 7649
182: ok 7650
182: ok 7651
182: ok 7652
182: ok 7653
182: ok 7654
182: ok 7655
182: ok 7656
182: ok 7657
182: ok 7658
182: ok 7659
182: ok 7660
182: ok 7661
182: ok 7662
182: ok 7663
182: ok 7664
182: ok 7665
182: ok 7666
182: ok 7667
182: ok 7668
182: ok 7669
182: ok 7670
182: ok 7671
182: ok 7672
182: ok 7673
182: ok 7674
182: ok 7675
182: ok 7676
182: ok 7677
182: ok 7678
182: ok 7679
182: ok 7680
182: ok 7681
182: ok 7682
182: ok 7683
182: ok 7684
182: ok 7685
182: ok 7686
182: ok 7687
182: ok 7688
182: ok 7689
182: ok 7690
182: ok 7691
182: ok 7692
182: ok 7693
182: ok 7694
182: ok 7695
182: ok 7696
182: ok 7697
182: ok 7698
182: ok 7699
182: ok 7700
182: ok 7701
182: ok 7702
182: ok 7703
182: ok 7704
182: ok 7705
182: ok 7706
182: ok 7707
182: ok 7708
182: ok 7709
182: ok 7710
182: ok 7711
182: ok 7712
182: ok 7713
182: ok 7714
182: ok 7715
182: ok 7716
182: ok 7717
182: ok 7718
182: ok 7719
182: ok 7720
182: ok 7721
182: ok 7722
182: ok 7723
182: ok 7724
182: ok 7725
182: ok 7726
182: ok 7727
182: ok 7728
182: ok 7729
182: ok 7730
182: ok 7731
182: ok 7732
182: ok 7733
182: ok 7734
182: ok 7735
182: ok 7736
182: ok 7737
182: ok 7738
182: ok 7739
182: ok 7740
182: ok 7741
182: ok 7742
182: ok 7743
182: ok 7744
182: ok 7745
182: ok 7746
182: ok 7747
182: ok 7748
182: ok 7749
182: ok 7750
182: ok 7751
182: ok 7752
182: ok 7753
182: ok 7754
182: ok 7755
182: ok 7756
182: ok 7757
182: ok 7758
182: ok 7759
182: ok 7760
182: ok 7761
182: ok 7762
182: ok 7763
182: ok 7764
182: ok 7765
182: ok 7766
182: ok 7767
182: ok 7768
182: ok 7769
182: ok 7770
182: ok 7771
182: ok 7772
182: ok 7773
182: ok 7774
182: ok 7775
182: ok 7776
182: ok 7777
182: ok 7778
182: ok 7779
182: ok 7780
182: ok 7781
182: ok 7782
182: ok 7783
182: ok 7784
182: ok 7785
182: ok 7786
182: ok 7787
182: ok 7788
182: ok 7789
182: ok 7790
182: ok 7791
182: ok 7792
182: ok 7793
182: ok 7794
182: ok 7795
182: ok 7796
182: ok 7797
182: ok 7798
182: ok 7799
182: ok 7800
182: ok 7801
182: ok 7802
182: ok 7803
182: ok 7804
182: ok 7805
182: ok 7806
182: ok 7807
182: ok 7808
182: ok 7809
182: ok 7810
182: ok 7811
182: ok 7812
182: ok 7813
182: ok 7814
182: ok 7815
182: ok 7816
182: ok 7817
182: ok 7818
182: ok 7819
182: ok 7820
182: ok 7821
182: ok 7822
182: ok 7823
182: ok 7824
182: ok 7825
182: ok 7826
182: ok 7827
182: ok 7828
182: ok 7829
182: ok 7830
182: ok 7831
182: ok 7832
182: ok 7833
182: ok 7834
182: ok 7835
182: ok 7836
182: ok 7837
182: ok 7838
182: ok 7839
182: ok 7840
182: ok 7841
182: ok 7842
182: ok 7843
182: ok 7844
182: ok 7845
182: ok 7846
182: ok 7847
182: ok 7848
182: ok 7849
182: ok 7850
182: ok 7851
182: ok 7852
182: ok 7853
182: ok 7854
182: ok 7855
182: ok 7856
182: ok 7857
182: ok 7858
182: ok 7859
182: ok 7860
182: ok 7861
182: ok 7862
182: ok 7863
182: ok 7864
182: ok 7865
182: ok 7866
182: ok 7867
182: ok 7868
182: ok 7869
182: ok 7870
182: ok 7871
182: ok 7872
182: ok 7873
182: ok 7874
182: ok 7875
182: ok 7876
182: ok 7877
182: ok 7878
182: ok 7879
182: ok 7880
182: ok 7881
182: ok 7882
182: ok 7883
182: ok 7884
182: ok 7885
182: ok 7886
182: ok 7887
182: ok 7888
182: ok 7889
182: ok 7890
182: ok 7891
182: ok 7892
182: ok 7893
182: ok 7894
182: ok 7895
182: ok 7896
182: ok 7897
182: ok 7898
182: ok 7899
182: ok 7900
182: ok 7901
182: ok 7902
182: ok 7903
182: ok 7904
182: ok 7905
182: ok 7906
182: ok 7907
182: ok 7908
182: ok 7909
182: ok 7910
182: ok 7911
182: ok 7912
182: ok 7913
182: ok 7914
182: ok 7915
182: ok 7916
182: ok 7917
182: ok 7918
182: ok 7919
182: ok 7920
182: ok 7921
182: ok 7922
182: ok 7923
182: ok 7924
182: ok 7925
182: ok 7926
182: ok 7927
182: ok 7928
182: ok 7929
182: ok 7930
182: ok 7931
182: ok 7932
182: ok 7933
182: ok 7934
182: ok 7935
182: ok 7936
182: ok 7937
182: ok 7938
182: ok 7939
182: ok 7940
182: ok 7941
182: ok 7942
182: ok 7943
182: ok 7944
182: ok 7945
182: ok 7946
182: ok 7947
182: ok 7948
182: ok 7949
182: ok 7950
182: ok 7951
182: ok 7952
182: ok 7953
182: ok 7954
182: ok 7955
182: ok 7956
182: ok 7957
182: ok 7958
182: ok 7959
182: ok 7960
182: ok 7961
182: ok 7962
182: ok 7963
182: ok 7964
182: ok 7965
182: ok 7966
182: ok 7967
182: ok 7968
182: ok 7969
182: ok 7970
182: ok 7971
182: ok 7972
182: ok 7973
182: ok 7974
182: ok 7975
182: ok 7976
182: ok 7977
182: ok 7978
182: ok 7979
182: ok 7980
182: ok 7981
182: ok 7982
182: ok 7983
182: ok 7984
182: ok 7985
182: ok 7986
182: ok 7987
182: ok 7988
182: ok 7989
182: ok 7990
182: ok 7991
182: ok 7992
182: ok 7993
182: ok 7994
182: ok 7995
182: ok 7996
182: ok 7997
182: ok 7998
182: ok 7999
182: ok 8000
182: ok 8001
182: ok 8002
182: ok 8003
182: ok 8004
182: ok 8005
182: ok 8006
182: ok 8007
182: ok 8008
182: ok 8009
182: ok 8010
182: ok 8011
182: ok 8012
182: ok 8013
182: ok 8014
182: ok 8015
182: ok 8016
182: ok 8017
182: ok 8018
182: ok 8019
182: ok 8020
182: ok 8021
182: ok 8022
182: ok 8023
182: ok 8024
182: ok 8025
182: ok 8026
182: ok 8027
182: ok 8028
182: ok 8029
182: ok 8030
182: ok 8031
182: ok 8032
182: ok 8033
182: ok 8034
182: ok 8035
182: ok 8036
182: ok 8037
182: ok 8038
182: ok 8039
182: ok 8040
182: ok 8041
182: ok 8042
182: ok 8043
182: ok 8044
182: ok 8045
182: ok 8046
182: ok 8047
182: ok 8048
182: ok 8049
182: ok 8050
182: ok 8051
182: ok 8052
182: ok 8053
182: ok 8054
182: ok 8055
182: ok 8056
182: ok 8057
182: ok 8058
182: ok 8059
182: ok 8060
182: ok 8061
182: ok 8062
182: ok 8063
182: ok 8064
182: ok 8065
182: ok 8066
182: ok 8067
182: ok 8068
182: ok 8069
182: ok 8070
182: ok 8071
182: ok 8072
182: ok 8073
182: ok 8074
182: ok 8075
182: ok 8076
182: ok 8077
182: ok 8078
182: ok 8079
182: ok 8080
182: ok 8081
182: ok 8082
182: ok 8083
182: ok 8084
182: ok 8085
182: ok 8086
182: ok 8087
182: ok 8088
182: ok 8089
182: ok 8090
182: ok 8091
182: ok 8092
182: ok 8093
182: ok 8094
182: ok 8095
182: ok 8096
182: ok 8097
182: ok 8098
182: ok 8099
182: ok 8100
182: ok 8101
182: ok 8102
182: ok 8103
182: ok 8104
182: ok 8105
182: ok 8106
182: ok 8107
182: ok 8108
182: ok 8109
182: ok 8110
182: ok 8111
182: ok 8112
182: ok 8113
182: ok 8114
182: ok 8115
182: ok 8116
182: ok 8117
182: ok 8118
182: ok 8119
182: ok 8120
182: ok 8121
182: ok 8122
182: ok 8123
182: ok 8124
182: ok 8125
182: ok 8126
182: ok 8127
182: ok 8128
182: ok 8129
182: ok 8130
182: ok 8131
182: ok 8132
182: ok 8133
182: ok 8134
182: ok 8135
182: ok 8136
182: ok 8137
182: ok 8138
182: ok 8139
182: ok 8140
182: ok 8141
182: ok 8142
182: ok 8143
182: ok 8144
182: ok 8145
182: ok 8146
182: ok 8147
182: ok 8148
182: ok 8149
182: ok 8150
182: ok 8151
182: ok 8152
182: ok 8153
182: ok 8154
182: ok 8155
182: ok 8156
182: ok 8157
182: ok 8158
182: ok 8159
182: ok 8160
182: ok 8161
182: ok 8162
182: ok 8163
182: ok 8164
182: ok 8165
182: ok 8166
182: ok 8167
182: ok 8168
182: ok 8169
182: ok 8170
182: ok 8171
182: ok 8172
182: ok 8173
182: ok 8174
182: ok 8175
182: ok 8176
182: ok 8177
182: ok 8178
182: ok 8179
182: ok 8180
182: ok 8181
182: ok 8182
182: ok 8183
182: ok 8184
182: ok 8185
182: ok 8186
182: ok 8187
182: ok 8188
182: ok 8189
182: ok 8190
182: ok 8191
182: ok 8192
182: ok 8193
182: ok 8194
182: ok 8195
182: ok 8196
182: ok 8197
182: ok 8198
182: ok 8199
182: ok 8200
182: ok 8201
182: ok 8202
182: ok 8203
182: ok 8204
182: ok 8205
182: ok 8206
182: ok 8207
182: ok 8208
182: ok 8209
182: ok 8210
182: ok 8211
182: ok 8212
182: ok 8213
182: ok 8214
182: ok 8215
182: ok 8216
182: ok 8217
182: ok 8218
182: ok 8219
182: ok 8220
182: ok 8221
182: ok 8222
182: ok 8223
182: ok 8224
182: ok 8225
182: ok 8226
182: ok 8227
182: ok 8228
182: ok 8229
182: ok 8230
182: ok 8231
182: ok 8232
182: ok 8233
182: ok 8234
182: ok 8235
182: ok 8236
182: ok 8237
182: ok 8238
182: ok 8239
182: ok 8240
182: ok 8241
182: ok 8242
182: ok 8243
182: ok 8244
182: ok 8245
182: ok 8246
182: ok 8247
182: ok 8248
182: ok 8249
182: ok 8250
182: ok 8251
182: ok 8252
182: ok 8253
182: ok 8254
182: ok 8255
182: ok 8256
182: ok 8257
182: ok 8258
182: ok 8259
182: ok 8260
182: ok 8261
182: ok 8262
182: ok 8263
182: ok 8264
182: ok 8265
182: ok 8266
182: ok 8267
182: ok 8268
182: ok 8269
182: ok 8270
182: ok 8271
182: ok 8272
182: ok 8273
182: ok 8274
182: ok 8275
182: ok 8276
182: ok 8277
182: ok 8278
182: ok 8279
182: ok 8280
182: ok 8281
182: ok 8282
182: ok 8283
182: ok 8284
182: ok 8285
182: ok 8286
182: ok 8287
182: ok 8288
182: ok 8289
182: ok 8290
182: ok 8291
182: ok 8292
182: ok 8293
182: ok 8294
182: ok 8295
182: ok 8296
182: ok 8297
182: ok 8298
182: ok 8299
182: ok 8300
182: ok 8301
182: ok 8302
182: ok 8303
182: ok 8304
182: ok 8305
182: ok 8306
182: ok 8307
182: ok 8308
182: ok 8309
182: ok 8310
182: ok 8311
182: ok 8312
182: ok 8313
182: ok 8314
182: ok 8315
182: ok 8316
182: ok 8317
182: ok 8318
182: ok 8319
182: ok 8320
182: ok 8321
182: ok 8322
182: ok 8323
182: ok 8324
182: ok 8325
182: ok 8326
182: ok 8327
182: ok 8328
182: ok 8329
182: ok 8330
182: ok 8331
182: ok 8332
182: ok 8333
182: ok 8334
182: ok 8335
182: ok 8336
182: ok 8337
182: ok 8338
182: ok 8339
182: ok 8340
182: ok 8341
182: ok 8342
182: ok 8343
182: ok 8344
182: ok 8345
182: ok 8346
182: ok 8347
182: ok 8348
182: ok 8349
182: ok 8350
182: ok 8351
182: ok 8352
182: ok 8353
182: ok 8354
182: ok 8355
182: ok 8356
182: ok 8357
182: ok 8358
182: ok 8359
182: ok 8360
182: ok 8361
182: ok 8362
182: ok 8363
182: ok 8364
182: ok 8365
182: ok 8366
182: ok 8367
182: ok 8368
182: ok 8369
182: ok 8370
182: ok 8371
182: ok 8372
182: ok 8373
182: ok 8374
182: ok 8375
182: ok 8376
182: ok 8377
182: ok 8378
182: ok 8379
182: ok 8380
182: ok 8381
182: ok 8382
182: ok 8383
182: ok 8384
182: ok 8385
182: ok 8386
182: ok 8387
182: ok 8388
182: ok 8389
182: ok 8390
182: ok 8391
182: ok 8392
182: ok 8393
182: ok 8394
182: ok 8395
182: ok 8396
182: ok 8397
182: ok 8398
182: ok 8399
182: ok 8400
182: ok 8401
182: ok 8402
182: ok 8403
182: ok 8404
182: ok 8405
182: ok 8406
182: ok 8407
182: ok 8408
182: ok 8409
182: ok 8410
182: ok 8411
182: ok 8412
182: ok 8413
182: ok 8414
182: ok 8415
182: ok 8416
182: ok 8417
182: ok 8418
182: ok 8419
182: ok 8420
182: ok 8421
182: ok 8422
182: ok 8423
182: ok 8424
182: ok 8425
182: ok 8426
182: ok 8427
182: ok 8428
182: ok 8429
182: ok 8430
182: ok 8431
182: ok 8432
182: ok 8433
182: ok 8434
182: ok 8435
182: ok 8436
182: ok 8437
182: ok 8438
182: ok 8439
182: ok 8440
182: ok 8441
182: ok 8442
182: ok 8443
182: ok 8444
182: ok 8445
182: ok 8446
182: ok 8447
182: ok 8448
182: ok 8449
182: ok 8450
182: ok 8451
182: ok 8452
182: ok 8453
182: ok 8454
182: ok 8455
182: ok 8456
182: ok 8457
182: ok 8458
182: ok 8459
182: ok 8460
182: ok 8461
182: ok 8462
182: ok 8463
182: ok 8464
182: ok 8465
182: ok 8466
182: ok 8467
182: ok 8468
182: ok 8469
182: ok 8470
182: ok 8471
182: ok 8472
182: ok 8473
182: ok 8474
182: ok 8475
182: ok 8476
182: ok 8477
182: ok 8478
182: ok 8479
182: ok 8480
182: ok 8481
182: ok 8482
182: ok 8483
182: ok 8484
182: ok 8485
182: ok 8486
182: ok 8487
182: ok 8488
182: ok 8489
182: ok 8490
182: ok 8491
182: ok 8492
182: ok 8493
182: ok 8494
182: ok 8495
182: ok 8496
182: ok 8497
182: ok 8498
182: ok 8499
182: ok 8500
182: ok 8501
182: ok 8502
182: ok 8503
182: ok 8504
182: ok 8505
182: ok 8506
182: ok 8507
182: ok 8508
182: ok 8509
182: ok 8510
182: ok 8511
182: ok 8512
182: ok 8513
182: ok 8514
182: ok 8515
182: ok 8516
182: ok 8517
182: ok 8518
182: ok 8519
182: ok 8520
182: ok 8521
182: ok 8522
182: ok 8523
182: ok 8524
182: ok 8525
182: ok 8526
182: ok 8527
182: ok 8528
182: ok 8529
182: ok 8530
182: ok 8531
182: ok 8532
182: ok 8533
182: ok 8534
182: ok 8535
182: ok 8536
182: ok 8537
182: ok 8538
182: ok 8539
182: ok 8540
182: ok 8541
182: ok 8542
182: ok 8543
182: ok 8544
182: ok 8545
182: ok 8546
182: ok 8547
182: ok 8548
182: ok 8549
182: ok 8550
182: ok 8551
182: ok 8552
182: ok 8553
182: ok 8554
182: ok 8555
182: ok 8556
182: ok 8557
182: ok 8558
182: ok 8559
182: ok 8560
182: ok 8561
182: ok 8562
182: ok 8563
182: ok 8564
182: ok 8565
182: ok 8566
182: ok 8567
182: ok 8568
182: ok 8569
182: ok 8570
182: ok 8571
182: ok 8572
182: ok 8573
182: ok 8574
182: ok 8575
182: ok 8576
182: ok 8577
182: ok 8578
182: ok 8579
182: ok 8580
182: ok 8581
182: ok 8582
182: ok 8583
182: ok 8584
182: ok 8585
182: ok 8586
182: ok 8587
182: ok 8588
182: ok 8589
182: ok 8590
182: ok 8591
182: ok 8592
182: ok 8593
182: ok 8594
182: ok 8595
182: ok 8596
182: ok 8597
182: ok 8598
182: ok 8599
182: ok 8600
182: ok 8601
182: ok 8602
182: ok 8603
182: ok 8604
182: ok 8605
182: ok 8606
182: ok 8607
182: ok 8608
182: ok 8609
182: ok 8610
182: ok 8611
182: ok 8612
182: ok 8613
182: ok 8614
182: ok 8615
182: ok 8616
182: ok 8617
182: ok 8618
182: ok 8619
182: ok 8620
182: ok 8621
182: ok 8622
182: ok 8623
182: ok 8624
182: ok 8625
182: ok 8626
182: ok 8627
182: ok 8628
182: ok 8629
182: ok 8630
182: ok 8631
182: ok 8632
182: ok 8633
182: ok 8634
182: ok 8635
182: ok 8636
182: ok 8637
182: ok 8638
182: ok 8639
182: ok 8640
182: ok 8641
182: ok 8642
182: ok 8643
182: ok 8644
182: ok 8645
182: ok 8646
182: ok 8647
182: ok 8648
182: ok 8649
182: ok 8650
182: ok 8651
182: ok 8652
182: ok 8653
182: ok 8654
182: ok 8655
182: ok 8656
182: ok 8657
182: ok 8658
182: ok 8659
182: ok 8660
182: ok 8661
182: ok 8662
182: ok 8663
182: ok 8664
182: ok 8665
182: ok 8666
182: ok 8667
182: ok 8668
182: ok 8669
182: ok 8670
182: ok 8671
182: ok 8672
182: ok 8673
182: ok 8674
182: ok 8675
182: ok 8676
182: ok 8677
182: ok 8678
182: ok 8679
182: ok 8680
182: ok 8681
182: ok 8682
182: ok 8683
182: ok 8684
182: ok 8685
182: ok 8686
182: ok 8687
182: ok 8688
182: ok 8689
182: ok 8690
182: ok 8691
182: ok 8692
182: ok 8693
182: ok 8694
182: ok 8695
182: ok 8696
182: ok 8697
182: ok 8698
182: ok 8699
182: ok 8700
182: ok 8701
182: ok 8702
182: ok 8703
182: ok 8704
182: ok 8705
182: ok 8706
182: ok 8707
182: ok 8708
182: ok 8709
182: ok 8710
182: ok 8711
182: ok 8712
182: ok 8713
182: ok 8714
182: ok 8715
182: ok 8716
182: ok 8717
182: ok 8718
182: ok 8719
182: ok 8720
182: ok 8721
182: ok 8722
182: ok 8723
182: ok 8724
182: ok 8725
182: ok 8726
182: ok 8727
182: ok 8728
182: ok 8729
182: ok 8730
182: ok 8731
182: ok 8732
182: ok 8733
182: ok 8734
182: ok 8735
182: ok 8736
182: ok 8737
182: ok 8738
182: ok 8739
182: ok 8740
182: ok 8741
182: ok 8742
182: ok 8743
182: ok 8744
182: ok 8745
182: ok 8746
182: ok 8747
182: ok 8748
182: ok 8749
182: ok 8750
182: ok 8751
182: ok 8752
182: ok 8753
182: ok 8754
182: ok 8755
182: ok 8756
182: ok 8757
182: ok 8758
182: ok 8759
182: ok 8760
182: ok 8761
182: ok 8762
182: ok 8763
182: ok 8764
182: ok 8765
182: ok 8766
182: ok 8767
182: ok 8768
182: ok 8769
182: ok 8770
182: ok 8771
182: ok 8772
182: ok 8773
182: ok 8774
182: ok 8775
182: ok 8776
182: ok 8777
182: ok 8778
182: ok 8779
182: ok 8780
182: ok 8781
182: ok 8782
182: ok 8783
182: ok 8784
182: ok 8785
182: ok 8786
182: ok 8787
182: ok 8788
182: ok 8789
182: ok 8790
182: ok 8791
182: ok 8792
182: ok 8793
182: ok 8794
182: ok 8795
182: ok 8796
182: ok 8797
182: ok 8798
182: ok 8799
182: ok 8800
182: ok 8801
182: ok 8802
182: ok 8803
182: ok 8804
182: ok 8805
182: ok 8806
182: ok 8807
182: ok 8808
182: ok 8809
182: ok 8810
182: ok 8811
182: ok 8812
182: ok 8813
182: ok 8814
182: ok 8815
182: ok 8816
182: ok 8817
182: ok 8818
182: ok 8819
182: ok 8820
182: ok 8821
182: ok 8822
182: ok 8823
182: ok 8824
182: ok 8825
182: ok 8826
182: ok 8827
182: ok 8828
182: ok 8829
182: ok 8830
182: ok 8831
182: ok 8832
182: ok 8833
182: ok 8834
182: ok 8835
182: ok 8836
182: ok 8837
182: ok 8838
182: ok 8839
182: ok 8840
182: ok 8841
182: ok 8842
182: ok 8843
182: ok 8844
182: ok 8845
182: ok 8846
182: ok 8847
182: ok 8848
182: ok 8849
182: ok 8850
182: ok 8851
182: ok 8852
182: ok 8853
182: ok 8854
182: ok 8855
182: ok 8856
182: ok 8857
182: ok 8858
182: ok 8859
182: ok 8860
182: ok 8861
182: ok 8862
182: ok 8863
182: ok 8864
182: ok 8865
182: ok 8866
182: ok 8867
182: ok 8868
182: ok 8869
182: ok 8870
182: ok 8871
182: ok 8872
182: ok 8873
182: ok 8874
182: ok 8875
182: ok 8876
182: ok 8877
182: ok 8878
182: ok 8879
182: ok 8880
182: ok 8881
182: ok 8882
182: ok 8883
182: ok 8884
182: ok 8885
182: ok 8886
182: ok 8887
182: ok 8888
182: ok 8889
182: ok 8890
182: ok 8891
182: ok 8892
182: ok 8893
182: ok 8894
182: ok 8895
182: ok 8896
182: ok 8897
182: ok 8898
182: ok 8899
182: ok 8900
182: ok 8901
182: ok 8902
182: ok 8903
182: ok 8904
182: ok 8905
182: ok 8906
182: ok 8907
182: ok 8908
182: ok 8909
182: ok 8910
182: ok 8911
182: ok 8912
182: ok 8913
182: ok 8914
182: ok 8915
182: ok 8916
182: ok 8917
182: ok 8918
182: ok 8919
182: ok 8920
182: ok 8921
182: ok 8922
182: ok 8923
182: ok 8924
182: ok 8925
182: ok 8926
182: ok 8927
182: ok 8928
182: ok 8929
182: ok 8930
182: ok 8931
182: ok 8932
182: ok 8933
182: ok 8934
182: ok 8935
182: ok 8936
182: ok 8937
182: ok 8938
182: ok 8939
182: ok 8940
182: ok 8941
182: ok 8942
182: ok 8943
182: ok 8944
182: ok 8945
182: ok 8946
182: ok 8947
182: ok 8948
182: ok 8949
182: ok 8950
182: ok 8951
182: ok 8952
182: ok 8953
182: ok 8954
182: ok 8955
182: ok 8956
182: ok 8957
182: ok 8958
182: ok 8959
182: ok 8960
182: ok 8961
182: ok 8962
182: ok 8963
182: ok 8964
182: ok 8965
182: ok 8966
182: ok 8967
182: ok 8968
182: ok 8969
182: ok 8970
182: ok 8971
182: ok 8972
182: ok 8973
182: ok 8974
182: ok 8975
182: ok 8976
182: ok 8977
182: ok 8978
182: ok 8979
182: ok 8980
182: ok 8981
182: ok 8982
182: ok 8983
182: ok 8984
182: ok 8985
182: ok 8986
182: ok 8987
182: ok 8988
182: ok 8989
182: ok 8990
182: ok 8991
182: ok 8992
182: ok 8993
182: ok 8994
182: ok 8995
182: ok 8996
182: ok 8997
182: ok 8998
182: ok 8999
182: ok 9000
182: ok 9001
182: ok 9002
182: ok 9003
182: ok 9004
182: ok 9005
182: ok 9006
182: ok 9007
182: ok 9008
182: ok 9009
182: ok 9010
182: ok 9011
182: ok 9012
182: ok 9013
182: ok 9014
182: ok 9015
182: ok 9016
182: ok 9017
182: ok 9018
182: ok 9019
182: ok 9020
182: ok 9021
182: ok 9022
182: ok 9023
182: ok 9024
182: ok 9025
182: ok 9026
182: ok 9027
182: ok 9028
182: ok 9029
182: ok 9030
182: ok 9031
182: ok 9032
182: ok 9033
182: ok 9034
182: ok 9035
182: ok 9036
182: ok 9037
182: ok 9038
182: ok 9039
182: ok 9040
182: ok 9041
182: ok 9042
182: ok 9043
182: ok 9044
182: ok 9045
182: ok 9046
182: ok 9047
182: ok 9048
182: ok 9049
182: ok 9050
182: ok 9051
182: ok 9052
182: ok 9053
182: ok 9054
182: ok 9055
182: ok 9056
182: ok 9057
182: ok 9058
182: ok 9059
182: ok 9060
182: ok 9061
182: ok 9062
182: ok 9063
182: ok 9064
182: ok 9065
182: ok 9066
182: ok 9067
182: ok 9068
182: ok 9069
182: ok 9070
182: ok 9071
182: ok 9072
182: ok 9073
182: ok 9074
182: ok 9075
182: ok 9076
182: ok 9077
182: ok 9078
182: ok 9079
182: ok 9080
182: ok 9081
182: ok 9082
182: ok 9083
182: ok 9084
182: ok 9085
182: ok 9086
182: ok 9087
182: ok 9088
182: ok 9089
182: ok 9090
182: ok 9091
182: ok 9092
182: ok 9093
182: ok 9094
182: ok 9095
182: ok 9096
182: ok 9097
182: ok 9098
182: ok 9099
182: ok 9100
182: ok 9101
182: ok 9102
182: ok 9103
182: ok 9104
182: ok 9105
182: ok 9106
182: ok 9107
182: ok 9108
182: ok 9109
182: ok 9110
182: ok 9111
182: ok 9112
182: ok 9113
182: ok 9114
182: ok 9115
182: ok 9116
182: ok 9117
182: ok 9118
182: ok 9119
182: ok 9120
182: ok 9121
182: ok 9122
182: ok 9123
182: ok 9124
182: ok 9125
182: ok 9126
182: ok 9127
182: ok 9128
182: ok 9129
182: ok 9130
182: ok 9131
182: ok 9132
182: ok 9133
182: ok 9134
182: ok 9135
182: ok 9136
182: ok 9137
182: ok 9138
182: ok 9139
182: ok 9140
182: ok 9141
182: ok 9142
182: ok 9143
182: ok 9144
182: ok 9145
182: ok 9146
182: ok 9147
182: ok 9148
182: ok 9149
182: ok 9150
182: ok 9151
182: ok 9152
182: ok 9153
182: ok 9154
182: ok 9155
182: ok 9156
182: ok 9157
182: ok 9158
182: ok 9159
182: ok 9160
182: ok 9161
182: ok 9162
182: ok 9163
182: ok 9164
182: ok 9165
182: ok 9166
182: ok 9167
182: ok 9168
182: ok 9169
182: ok 9170
182: ok 9171
182: ok 9172
182: ok 9173
182: ok 9174
182: ok 9175
182: ok 9176
182: ok 9177
182: ok 9178
182: ok 9179
182: ok 9180
182: ok 9181
182: ok 9182
182: ok 9183
182: ok 9184
182: ok 9185
182: ok 9186
182: ok 9187
182: ok 9188
182: ok 9189
182: ok 9190
182: ok 9191
182: ok 9192
182: ok 9193
182: ok 9194
182: ok 9195
182: ok 9196
182: ok 9197
182: ok 9198
182: ok 9199
182: ok 9200
182: ok 9201
182: ok 9202
182: ok 9203
182: ok 9204
182: ok 9205
182: ok 9206
182: ok 9207
182: ok 9208
182: ok 9209
182: ok 9210
182: ok 9211
182: ok 9212
182: ok 9213
182: ok 9214
182: ok 9215
182: ok 9216
182: ok 9217
182: ok 9218
182: ok 9219
182: ok 9220
182: ok 9221
182: ok 9222
182: ok 9223
182: ok 9224
182: ok 9225
182: ok 9226
182: ok 9227
182: ok 9228
182: ok 9229
182: ok 9230
182: ok 9231
182: ok 9232
182: ok 9233
182: ok 9234
182: ok 9235
182: ok 9236
182: ok 9237
182: ok 9238
182: ok 9239
182: ok 9240
182: ok 9241
182: ok 9242
182: ok 9243
182: ok 9244
182: ok 9245
182: ok 9246
182: ok 9247
182: ok 9248
182: ok 9249
182: ok 9250
182: ok 9251
182: ok 9252
182: ok 9253
182: ok 9254
182: ok 9255
182: ok 9256
182: ok 9257
182: ok 9258
182: ok 9259
182: ok 9260
182: ok 9261
182: ok 9262
182: ok 9263
182: ok 9264
182: ok 9265
182: ok 9266
182: ok 9267
182: ok 9268
182: ok 9269
182: ok 9270
182: ok 9271
182: ok 9272
182: ok 9273
182: ok 9274
182: ok 9275
182: ok 9276
182: ok 9277
182: ok 9278
182: ok 9279
182: ok 9280
182: ok 9281
182: ok 9282
182: ok 9283
182: ok 9284
182: ok 9285
182: ok 9286
182: ok 9287
182: ok 9288
182: ok 9289
182: ok 9290
182: ok 9291
182: ok 9292
182: ok 9293
182: ok 9294
182: ok 9295
182: ok 9296
182: ok 9297
182: ok 9298
182: ok 9299
182: ok 9300
182: ok 9301
182: ok 9302
182: ok 9303
182: ok 9304
182: ok 9305
182: ok 9306
182: ok 9307
182: ok 9308
182: ok 9309
182: ok 9310
182: ok 9311
182: ok 9312
182: ok 9313
182: ok 9314
182: ok 9315
182: ok 9316
182: ok 9317
182: ok 9318
182: ok 9319
182: ok 9320
182: ok 9321
182: ok 9322
182: ok 9323
182: ok 9324
182: ok 9325
182: ok 9326
182: ok 9327
182: ok 9328
182: ok 9329
182: ok 9330
182: ok 9331
182: ok 9332
182: ok 9333
182: ok 9334
182: ok 9335
182: ok 9336
182: ok 9337
182: ok 9338
182: ok 9339
182: ok 9340
182: ok 9341
182: ok 9342
182: ok 9343
182: ok 9344
182: ok 9345
182: ok 9346
182: ok 9347
182: ok 9348
182: ok 9349
182: ok 9350
182: ok 9351
182: ok 9352
182: ok 9353
182: ok 9354
182: ok 9355
182: ok 9356
182: ok 9357
182: ok 9358
182: ok 9359
182: ok 9360
182: ok 9361
182: ok 9362
182: ok 9363
182: ok 9364
182: ok 9365
182: ok 9366
182: ok 9367
182: ok 9368
182: ok 9369
182: ok 9370
182: ok 9371
182: ok 9372
182: ok 9373
182: ok 9374
182: ok 9375
182: ok 9376
182: ok 9377
182: ok 9378
182: ok 9379
182: ok 9380
182: ok 9381
182: ok 9382
182: ok 9383
182: ok 9384
182: ok 9385
182: ok 9386
182: ok 9387
182: ok 9388
182: ok 9389
182: ok 9390
182: ok 9391
182: ok 9392
182: ok 9393
182: ok 9394
182: ok 9395
182: ok 9396
182: ok 9397
182: ok 9398
182: ok 9399
182: ok 9400
182: ok 9401
182: ok 9402
182: ok 9403
182: ok 9404
182: ok 9405
182: ok 9406
182: ok 9407
182: ok 9408
182: ok 9409
182: ok 9410
182: ok 9411
182: ok 9412
182: ok 9413
182: ok 9414
182: ok 9415
182: ok 9416
182: ok 9417
182: ok 9418
182: ok 9419
182: ok 9420
182: ok 9421
182: ok 9422
182: ok 9423
182: ok 9424
182: ok 9425
182: ok 9426
182: ok 9427
182: ok 9428
182: ok 9429
182: ok 9430
182: ok 9431
182: ok 9432
182: ok 9433
182: ok 9434
182: ok 9435
182: ok 9436
182: ok 9437
182: ok 9438
182: ok 9439
182: ok 9440
182: ok 9441
182: ok 9442
182: ok 9443
182: ok 9444
182: ok 9445
182: ok 9446
182: ok 9447
182: ok 9448
182: ok 9449
182: ok 9450
182: ok 9451
182: ok 9452
182: ok 9453
182: ok 9454
182: ok 9455
182: ok 9456
182: ok 9457
182: ok 9458
182: ok 9459
182: ok 9460
182: ok 9461
182: ok 9462
182: ok 9463
182: ok 9464
182: ok 9465
182: ok 9466
182: ok 9467
182: ok 9468
182: ok 9469
182: ok 9470
182: ok 9471
182: ok 9472
182: ok 9473
182: ok 9474
182: ok 9475
182: ok 9476
182: ok 9477
182: ok 9478
182: ok 9479
182: ok 9480
182: ok 9481
182: ok 9482
182: ok 9483
182: ok 9484
182: ok 9485
182: ok 9486
182: ok 9487
182: ok 9488
182: ok 9489
182: ok 9490
182: ok 9491
182: ok 9492
182: ok 9493
182: ok 9494
182: ok 9495
182: ok 9496
182: ok 9497
182: ok 9498
182: ok 9499
182: ok 9500
182: ok 9501
182: ok 9502
182: ok 9503
182: ok 9504
182: ok 9505
182: ok 9506
182: ok 9507
182: ok 9508
182: ok 9509
182: ok 9510
182: ok 9511
182: ok 9512
182: ok 9513
182: ok 9514
182: ok 9515
182: ok 9516
182: ok 9517
182: ok 9518
182: ok 9519
182: ok 9520
182: ok 9521
182: ok 9522
182: ok 9523
182: ok 9524
182: ok 9525
182: ok 9526
182: ok 9527
182: ok 9528
182: ok 9529
182: ok 9530
182: ok 9531
182: ok 9532
182: ok 9533
182: ok 9534
182: ok 9535
182: ok 9536
182: ok 9537
182: ok 9538
182: ok 9539
182: ok 9540
182: ok 9541
182: ok 9542
182: ok 9543
182: ok 9544
182: ok 9545
182: ok 9546
182: ok 9547
182: ok 9548
182: ok 9549
182: ok 9550
182: ok 9551
182: ok 9552
182: ok 9553
182: ok 9554
182: ok 9555
182: ok 9556
182: ok 9557
182: ok 9558
182: ok 9559
182: ok 9560
182: ok 9561
182: ok 9562
182: ok 9563
182: ok 9564
182: ok 9565
182: ok 9566
182: ok 9567
182: ok 9568
182: ok 9569
182: ok 9570
182: ok 9571
182: ok 9572
182: ok 9573
182: ok 9574
182: ok 9575
182: ok 9576
182: ok 9577
182: ok 9578
182: ok 9579
182: ok 9580
182: ok 9581
182: ok 9582
182: ok 9583
182: ok 9584
182: ok 9585
182: ok 9586
182: ok 9587
182: ok 9588
182: ok 9589
182: ok 9590
182: ok 9591
182: ok 9592
182: ok 9593
182: ok 9594
182: ok 9595
182: ok 9596
182: ok 9597
182: ok 9598
182: ok 9599
182: ok 9600
182: ok 9601
182: ok 9602
182: ok 9603
182: ok 9604
182: ok 9605
182: ok 9606
182: ok 9607
182: ok 9608
182: ok 9609
182: ok 9610
182: ok 9611
182: ok 9612
182: ok 9613
182: ok 9614
182: ok 9615
182: ok 9616
182: ok 9617
182: ok 9618
182: ok 9619
182: ok 9620
182: ok 9621
182: ok 9622
182: ok 9623
182: ok 9624
182: ok 9625
182: ok 9626
182: ok 9627
182: ok 9628
182: ok 9629
182: ok 9630
182: ok 9631
182: ok 9632
182: ok 9633
182: ok 9634
182: ok 9635
182: ok 9636
182: ok 9637
182: ok 9638
182: ok 9639
182: ok 9640
182: ok 9641
182: ok 9642
182: ok 9643
182: ok 9644
182: ok 9645
182: ok 9646
182: ok 9647
182: ok 9648
182: ok 9649
182: ok 9650
182: ok 9651
182: ok 9652
182: ok 9653
182: ok 9654
182: ok 9655
182: ok 9656
182: ok 9657
182: ok 9658
182: ok 9659
182: ok 9660
182: ok 9661
182: ok 9662
182: ok 9663
182: ok 9664
182: ok 9665
182: ok 9666
182: ok 9667
182: ok 9668
182: ok 9669
182: ok 9670
182: ok 9671
182: ok 9672
182: ok 9673
182: ok 9674
182: ok 9675
182: ok 9676
182: ok 9677
182: ok 9678
182: ok 9679
182: ok 9680
182: ok 9681
182: ok 9682
182: ok 9683
182: ok 9684
182: ok 9685
182: ok 9686
182: ok 9687
182: ok 9688
182: ok 9689
182: ok 9690
182: ok 9691
182: ok 9692
182: ok 9693
182: ok 9694
182: ok 9695
182: ok 9696
182: ok 9697
182: ok 9698
182: ok 9699
182: ok 9700
182: ok 9701
182: ok 9702
182: ok 9703
182: ok 9704
182: ok 9705
182: ok 9706
182: ok 9707
182: ok 9708
182: ok 9709
182: ok 9710
182: ok 9711
182: ok 9712
182: ok 9713
182: ok 9714
182: ok 9715
182: ok 9716
182: ok 9717
182: ok 9718
182: ok 9719
182: ok 9720
182: ok 9721
182: ok 9722
182: ok 9723
182: ok 9724
182: ok 9725
182: ok 9726
182: ok 9727
182: ok 9728
182: ok 9729
182: ok 9730
182: ok 9731
182: ok 9732
182: ok 9733
182: ok 9734
182: ok 9735
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182: ok 9737
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182: ok 9739
182: ok 9740
182: ok 9741
182: ok 9742
182: ok 9743
182: ok 9744
182: ok 9745
182: ok 9746
182: ok 9747
182: ok 9748
182: ok 9749
182: ok 9750
182: ok 9751
182: ok 9752
182: ok 9753
182: ok 9754
182: ok 9755
182: ok 9756
182: ok 9757
182: ok 9758
182: ok 9759
182: ok 9760
182: ok 9761
182: ok 9762
182: ok 9763
182: ok 9764
182: ok 9765
182: ok 9766
182: ok 9767
182: ok 9768
182: ok 9769
182: ok 9770
182: ok 9771
182: ok 9772
182: ok 9773
182: ok 9774
182: ok 9775
182: ok 9776
182: ok 9777
182: ok 9778
182: ok 9779
182: ok 9780
182: ok 9781
182: ok 9782
182: ok 9783
182: ok 9784
182: ok 9785
182: ok 9786
182: ok 9787
182: ok 9788
182: ok 9789
182: ok 9790
182: ok 9791
182: ok 9792
182: ok 9793
182: ok 9794
182: ok 9795
182: ok 9796
182: ok 9797
182: ok 9798
182: ok 9799
182: ok 9800
182: ok 9801
182: ok 9802
182: ok 9803
182: ok 9804
182: ok 9805
182: ok 9806
182: ok 9807
182: ok 9808
182: ok 9809
182: ok 9810
182: ok 9811
182: ok 9812
182: ok 9813
182: ok 9814
182: ok 9815
182: ok 9816
182: ok 9817
182: ok 9818
182: ok 9819
182: ok 9820
182: ok 9821
182: ok 9822
182: ok 9823
182: ok 9824
182: ok 9825
182: ok 9826
182: ok 9827
182: ok 9828
182: ok 9829
182: ok 9830
182: ok 9831
182: ok 9832
182: ok 9833
182: ok 9834
182: ok 9835
182: ok 9836
182: ok 9837
182: ok 9838
182: ok 9839
182: ok 9840
182: ok 9841
182: ok 9842
182: ok 9843
182: ok 9844
182: ok 9845
182: ok 9846
182: ok 9847
182: ok 9848
182: ok 9849
182: ok 9850
182: ok 9851
182: ok 9852
182: ok 9853
182: ok 9854
182: ok 9855
182: ok 9856
182: ok 9857
182: ok 9858
182: ok 9859
182: ok 9860
182: ok 9861
182: ok 9862
182: ok 9863
182: ok 9864
182: ok 9865
182: ok 9866
182: ok 9867
182: ok 9868
182: ok 9869
182: ok 9870
182: ok 9871
182: ok 9872
182: ok 9873
182: ok 9874
182: ok 9875
182: ok 9876
182: ok 9877
182: ok 9878
182: ok 9879
182: ok 9880
182: ok 9881
182: ok 9882
182: ok 9883
182: ok 9884
182: ok 9885
182: ok 9886
182: ok 9887
182: ok 9888
182: ok 9889
182: ok 9890
182: ok 9891
182: ok 9892
182: ok 9893
182: ok 9894
182: ok 9895
182: ok 9896
182: ok 9897
182: ok 9898
182: ok 9899
182: ok 9900
182: ok 9901
182: ok 9902
182: ok 9903
182: ok 9904
182: ok 9905
182: ok 9906
182: ok 9907
182: ok 9908
182: ok 9909
182: ok 9910
182: ok 9911
182: ok 9912
182: ok 9913
182: ok 9914
182: ok 9915
182: ok 9916
182: ok 9917
182: ok 9918
182: ok 9919
182: ok 9920
182: ok 9921
182: ok 9922
182: ok 9923
182: ok 9924
182: ok 9925
182: ok 9926
182: ok 9927
182: ok 9928
182: ok 9929
182: ok 9930
182: ok 9931
182: ok 9932
182: ok 9933
182: ok 9934
182: ok 9935
182: ok 9936
182: ok 9937
182: ok 9938
182: ok 9939
182: ok 9940
182: ok 9941
182: ok 9942
182: ok 9943
182: ok 9944
182: ok 9945
182: ok 9946
182: ok 9947
182: ok 9948
182: ok 9949
182: ok 9950
182: ok 9951
182: ok 9952
182: ok 9953
182: ok 9954
182: ok 9955
182: ok 9956
182: ok 9957
182: ok 9958
182: ok 9959
182: ok 9960
182: ok 9961
182: ok 9962
182: ok 9963
182: ok 9964
182: ok 9965
182: ok 9966
182: ok 9967
182: ok 9968
182: ok 9969
182: ok 9970
182: ok 9971
182: ok 9972
182: ok 9973
182: ok 9974
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182: ok 9976
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182: ok 9978
182: ok 9979
182: ok 9980
182: ok 9981
182: ok 9982
182: ok 9983
182: ok 9984
182: ok 9985
182: ok 9986
182: ok 9987
182: ok 9988
182: ok 9989
182: ok 9990
182: ok 9991
182: ok 9992
182: ok 9993
182: ok 9994
182: ok 9995
182: ok 9996
182: ok 9997
182: ok 9998
182: ok 9999
182: ok 10000
182: ok 10001
182: ok 10002
182: ok 10003
182: ok 10004
182: ok 10005
182: ok 10006
182: ok 10007
182: ok 10008
182: ok 10009
182: ok 10010
182: ok 10011
182: ok 10012
182: ok 10013
182: ok 10014
182: ok 10015
182: ok 10016
182: ok 10017
182: ok 10018
182: ok 10019
182: ok 10020
182: ok 10021
182: ok 10022
182: ok 10023
182: ok 10024
182: ok 10025
182: ok 10026
182: ok 10027
182: ok 10028
182: ok 10029
182: ok 10030
182: ok 10031
182: ok 10032
182: ok 10033
182: ok 10034
182: ok 10035
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182: ok 10039
182: ok 10040
182: ok 10041
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182: ok 10043
182: ok 10044
182: ok 10045
182: ok 10046
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182: ok 10054
182: ok 10055
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182: ok 10063
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182: ok 10100
182: ok 10101
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182: ok 10110
182: ok 10111
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182: ok 10113
182: ok 10114
182: ok 10115
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182: ok 10117
182: ok 10118
182: ok 10119
182: ok 10120
182: ok 10121
182: ok 10122
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182: ok 10124
182: ok 10125
182: ok 10126
182: ok 10127
182: ok 10128
182: ok 10129
182: ok 10130
182: ok 10131
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182: ok 10133
182: ok 10134
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182: ok 10181
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182: ok 10193
182: ok 10194
182: ok 10195
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182: ok 10197
182: ok 10198
182: ok 10199
182: ok 10200
182: ok 10201
182: ok 10202
182: ok 10203
182: ok 10204
182: ok 10205
182: ok 10206
182: ok 10207
182: ok 10208
182: ok 10209
182: ok 10210
182: ok 10211
182: ok 10212
182: ok 10213
182: ok 10214
182: ok 10215
182: ok 10216
182: ok 10217
182: ok 10218
182: ok 10219
182: ok 10220
182: ok 10221
182: ok 10222
182: ok 10223
182: ok 10224
182: ok 10225
182: ok 10226
182: ok 10227
182: ok 10228
182: ok 10229
182: ok 10230
182: ok 10231
182: ok 10232
182: ok 10233
182: ok 10234
182: ok 10235
182: ok 10236
182: ok 10237
182: ok 10238
182: ok 10239
182: ok 10240
182: ok 10241
182: ok 10242
182: ok 10243
182: ok 10244
182: ok 10245
182: ok 10246
182: ok 10247
182: ok 10248
182: ok 10249
182: ok 10250
182: ok 10251
182: ok 10252
182: ok 10253
182: ok 10254
182: ok 10255
182: ok 10256
182: ok 10257
182: ok 10258
182: ok 10259
182: ok 10260
182: ok 10261
182: ok 10262
182: ok 10263
182: ok 10264
182: ok 10265
182: ok 10266
182: ok 10267
182: ok 10268
182: ok 10269
182: ok 10270
182: ok 10271
182: ok 10272
182: ok 10273
182: ok 10274
182: ok 10275
182: ok 10276
182: ok 10277
182: ok 10278
182: ok 10279
182: ok 10280
182: ok 10281
182: ok 10282
182: ok 10283
182: ok 10284
182: ok 10285
182: ok 10286
182: ok 10287
182: ok 10288
182: ok 10289
182: ok 10290
182: ok 10291
182: ok 10292
182: ok 10293
182: ok 10294
182: ok 10295
182: ok 10296
182: ok 10297
182: ok 10298
182: ok 10299
182: ok 10300
182: ok 10301
182: ok 10302
182: ok 10303
182: ok 10304
182: ok 10305
182: ok 10306
182: ok 10307
182: ok 10308
182: ok 10309
182: ok 10310
182: ok 10311
182: ok 10312
182: ok 10313
182: ok 10314
182: ok 10315
182: ok 10316
182: ok 10317
182: ok 10318
182: ok 10319
182: ok 10320
182: ok 10321
182: ok 10322
182: ok 10323
182: ok 10324
182: ok 10325
182: ok 10326
182: ok 10327
182: ok 10328
182: ok 10329
182: ok 10330
182: ok 10331
182: ok 10332
182: ok 10333
182: ok 10334
182: ok 10335
182: ok 10336
182: ok 10337
182: ok 10338
182: ok 10339
182: ok 10340
182: ok 10341
182: ok 10342
182: ok 10343
182: ok 10344
182: ok 10345
182: ok 10346
182: ok 10347
182: ok 10348
182: ok 10349
182: ok 10350
182: ok 10351
182: ok 10352
182: ok 10353
182: ok 10354
182: ok 10355
182: ok 10356
182: ok 10357
182: ok 10358
182: ok 10359
182: ok 10360
182: ok 10361
182: ok 10362
182: ok 10363
182: ok 10364
182: ok 10365
182: ok 10366
182: ok 10367
182: ok 10368
182: ok 10369
182: ok 10370
182: ok 10371
182: ok 10372
182: ok 10373
182: ok 10374
182: ok 10375
182: ok 10376
182: ok 10377
182: ok 10378
182: ok 10379
182: ok 10380
182: ok 10381
182: ok 10382
182: ok 10383
182: ok 10384
182: ok 10385
182: ok 10386
182: ok 10387
182: ok 10388
182: ok 10389
182: ok 10390
182: ok 10391
182: ok 10392
182: ok 10393
182: ok 10394
182: ok 10395
182: ok 10396
182: ok 10397
182: ok 10398
182: ok 10399
182: ok 10400
182: ok 10401
182: ok 10402
182: ok 10403
182: ok 10404
182: ok 10405
182: ok 10406
182: ok 10407
182: ok 10408
182: ok 10409
182: ok 10410
182: ok 10411
182: ok 10412
182: ok 10413
182: ok 10414
182: ok 10415
182: ok 10416
182: ok 10417
182: ok 10418
182: ok 10419
182: ok 10420
182: ok 10421
182: ok 10422
182: ok 10423
182: ok 10424
182: ok 10425
182: ok 10426
182: ok 10427
182: ok 10428
182: ok 10429
182: ok 10430
182: ok 10431
182: ok 10432
182: ok 10433
182: ok 10434
182: ok 10435
182: ok 10436
182: ok 10437
182: ok 10438
182: ok 10439
182: ok 10440
182: ok 10441
182: ok 10442
182: ok 10443
182: ok 10444
182: ok 10445
182: ok 10446
182: ok 10447
182: ok 10448
182: ok 10449
182: ok 10450
182: ok 10451
182: ok 10452
182: ok 10453
182: ok 10454
182: ok 10455
182: ok 10456
182: ok 10457
182: ok 10458
182: ok 10459
182: ok 10460
182: ok 10461
182: ok 10462
182: ok 10463
182: ok 10464
182: ok 10465
182: ok 10466
182: ok 10467
182: ok 10468
182: ok 10469
182: ok 10470
182: ok 10471
182: ok 10472
182: ok 10473
182: ok 10474
182: ok 10475
182: ok 10476
182: ok 10477
182: ok 10478
182: ok 10479
182: ok 10480
182: ok 10481
182: ok 10482
182: ok 10483
182: ok 10484
182: ok 10485
182: ok 10486
182: ok 10487
182: ok 10488
182: ok 10489
182: ok 10490
182: ok 10491
182: ok 10492
182: ok 10493
182: ok 10494
182: ok 10495
182: ok 10496
182: ok 10497
182: ok 10498
182: ok 10499
182: ok 10500
182: ok 10501
182: ok 10502
182: ok 10503
182: ok 10504
182: ok 10505
182: ok 10506
182: ok 10507
182: ok 10508
182: ok 10509
182: ok 10510
182: ok 10511
182: ok 10512
182: ok 10513
182: ok 10514
182: ok 10515
182: ok 10516
182: ok 10517
182: ok 10518
182: ok 10519
182: ok 10520
182: ok 10521
182: ok 10522
182: ok 10523
182: ok 10524
182: ok 10525
182: ok 10526
182: ok 10527
182: ok 10528
182: ok 10529
182: ok 10530
182: ok 10531
182: ok 10532
182: ok 10533
182: ok 10534
182: ok 10535
182: ok 10536
182: ok 10537
182: ok 10538
182: ok 10539
182: ok 10540
182: ok 10541
182: ok 10542
182: ok 10543
182: ok 10544
182: ok 10545
182: ok 10546
182: ok 10547
182: ok 10548
182: ok 10549
182: ok 10550
182: ok 10551
182: ok 10552
182: ok 10553
182: ok 10554
182: ok 10555
182: ok 10556
182: ok 10557
182: ok 10558
182: ok 10559
182: ok 10560
182: ok 10561
182: ok 10562
182: ok 10563
182: ok 10564
182: ok 10565
182: ok 10566
182: ok 10567
182: ok 10568
182: ok 10569
182: ok 10570
182: ok 10571
182: ok 10572
182: ok 10573
182: ok 10574
182: ok 10575
182: ok 10576
182: ok 10577
182: ok 10578
182: ok 10579
182: ok 10580
182: ok 10581
182: ok 10582
182: ok 10583
182: ok 10584
182: ok 10585
182: ok 10586
182: ok 10587
182: ok 10588
182: ok 10589
182: ok 10590
182: ok 10591
182: ok 10592
182: ok 10593
182: ok 10594
182: ok 10595
182: ok 10596
182: ok 10597
182: ok 10598
182: ok 10599
182: ok 10600
182: ok 10601
182: ok 10602
182: ok 10603
182: ok 10604
182: ok 10605
182: ok 10606
182: ok 10607
182: ok 10608
182: ok 10609
182: ok 10610
182: ok 10611
182: ok 10612
182: ok 10613
182: ok 10614
182: ok 10615
182: ok 10616
182: ok 10617
182: ok 10618
182: ok 10619
182: ok 10620
182: ok 10621
182: ok 10622
182: ok 10623
182: ok 10624
182: ok 10625
182: ok 10626
182: ok 10627
182: ok 10628
182: ok 10629
182: ok 10630
182: ok 10631
182: ok 10632
182: ok 10633
182: ok 10634
182: ok 10635
182: ok 10636
182: ok 10637
182: ok 10638
182: ok 10639
182: ok 10640
182: ok 10641
182: ok 10642
182: ok 10643
182: ok 10644
182: ok 10645
182: ok 10646
182: ok 10647
182: ok 10648
182: ok 10649
182: ok 10650
182: ok 10651
182: ok 10652
182: ok 10653
182: ok 10654
182: ok 10655
182: ok 10656
182: ok 10657
182: ok 10658
182: ok 10659
182: ok 10660
182: ok 10661
182: ok 10662
182: ok 10663
182: ok 10664
182: ok 10665
182: ok 10666
182: ok 10667
182: ok 10668
182: ok 10669
182: ok 10670
182: ok 10671
182: ok 10672
182: ok 10673
182: ok 10674
182: ok 10675
182: ok 10676
182: ok 10677
182: ok 10678
182: ok 10679
182: ok 10680
182: ok 10681
182: ok 10682
182: ok 10683
182: ok 10684
182: ok 10685
182: ok 10686
182: ok 10687
182: ok 10688
182: ok 10689
182: ok 10690
182: ok 10691
182: ok 10692
182: ok 10693
182: ok 10694
182: ok 10695
182: ok 10696
182: ok 10697
182: ok 10698
182: ok 10699
182: ok 10700
182: ok 10701
182: ok 10702
182: ok 10703
182: ok 10704
182: ok 10705
182: ok 10706
182: ok 10707
182: ok 10708
182: ok 10709
182: ok 10710
182: ok 10711
182: ok 10712
182: ok 10713
182: ok 10714
182: ok 10715
182: ok 10716
182: ok 10717
182: ok 10718
182: ok 10719
182: ok 10720
182: ok 10721
182: ok 10722
182: ok 10723
182: ok 10724
182: ok 10725
182: ok 10726
182: ok 10727
182: ok 10728
182: ok 10729
182: ok 10730
182: ok 10731
182: ok 10732
182: ok 10733
182: ok 10734
182: ok 10735
182: ok 10736
182: ok 10737
182: ok 10738
182: ok 10739
182: ok 10740
182: ok 10741
182: ok 10742
182: ok 10743
182: ok 10744
182: ok 10745
182: ok 10746
182: ok 10747
182: ok 10748
182: ok 10749
182: ok 10750
182: ok 10751
182: ok 10752
182: ok 10753
182: ok 10754
182: ok 10755
182: ok 10756
182: ok 10757
182: ok 10758
182: ok 10759
182: ok 10760
182: ok 10761
182: ok 10762
182: ok 10763
182: ok 10764
182: ok 10765
182: ok 10766
182: ok 10767
182: ok 10768
182: ok 10769
182: ok 10770
182: ok 10771
182: ok 10772
182: ok 10773
182: ok 10774
182: ok 10775
182: ok 10776
182: ok 10777
182: ok 10778
182: ok 10779
182: ok 10780
182: ok 10781
182: ok 10782
182: ok 10783
182: ok 10784
182: ok 10785
182: ok 10786
182: ok 10787
182: ok 10788
182: ok 10789
182: ok 10790
182: ok 10791
182: ok 10792
182: ok 10793
182: ok 10794
182: ok 10795
182: ok 10796
182: ok 10797
182: ok 10798
182: ok 10799
182: ok 10800
182: ok 10801
182: ok 10802
182: ok 10803
182: ok 10804
182: ok 10805
182: ok 10806
182: ok 10807
182: ok 10808
182: ok 10809
182: ok 10810
182: ok 10811
182: ok 10812
182: ok 10813
182: ok 10814
182: ok 10815
182: ok 10816
182: ok 10817
182: ok 10818
182: ok 10819
182: ok 10820
182: ok 10821
182: ok 10822
182: ok 10823
182: ok 10824
182: ok 10825
182: ok 10826
182: ok 10827
182: ok 10828
182: ok 10829
182: ok 10830
182: ok 10831
182: ok 10832
182: ok 10833
182: ok 10834
182: ok 10835
182: ok 10836
182: ok 10837
182: ok 10838
182: ok 10839
182: ok 10840
182: ok 10841
182: ok 10842
182: ok 10843
182: ok 10844
182: ok 10845
182: ok 10846
182: ok 10847
182: ok 10848
182: ok 10849
182: ok 10850
182: ok 10851
182: ok 10852
182: ok 10853
182: ok 10854
182: ok 10855
182: ok 10856
182: ok 10857
182: ok 10858
182: ok 10859
182: ok 10860
182: ok 10861
182: ok 10862
182: ok 10863
182: ok 10864
182: ok 10865
182: ok 10866
182: ok 10867
182: ok 10868
182: ok 10869
182: ok 10870
182: ok 10871
182: ok 10872
182: ok 10873
182: ok 10874
182: ok 10875
182: ok 10876
182: ok 10877
182: ok 10878
182: ok 10879
182: ok 10880
182: ok 10881
182: ok 10882
182: ok 10883
182: ok 10884
182: ok 10885
182: ok 10886
182: ok 10887
182: ok 10888
182: ok 10889
182: ok 10890
182: ok 10891
182: ok 10892
182: ok 10893
182: ok 10894
182: ok 10895
182: ok 10896
182: ok 10897
182: ok 10898
182: ok 10899
182: ok 10900
182: ok 10901
182: ok 10902
182: ok 10903
182: ok 10904
182: ok 10905
182: ok 10906
182: ok 10907
182: ok 10908
182: ok 10909
182: ok 10910
182: ok 10911
182: ok 10912
182: ok 10913
182: ok 10914
182: ok 10915
182: ok 10916
182: ok 10917
182: ok 10918
182: ok 10919
182: ok 10920
182: ok 10921
182: ok 10922
182: ok 10923
182: ok 10924
182: ok 10925
182: ok 10926
182: ok 10927
182: ok 10928
182: ok 10929
182: ok 10930
182: ok 10931
182: ok 10932
182: ok 10933
182: ok 10934
182: ok 10935
182: ok 10936
182: ok 10937
182: ok 10938
182: ok 10939
182: ok 10940
182: ok 10941
182: ok 10942
182: ok 10943
182: ok 10944
182: ok 10945
182: ok 10946
182: ok 10947
182: ok 10948
182: ok 10949
182: ok 10950
182: ok 10951
182: ok 10952
182: ok 10953
182: ok 10954
182: ok 10955
182: ok 10956
182: ok 10957
182: ok 10958
182: ok 10959
182: ok 10960
182: ok 10961
182: ok 10962
182: ok 10963
182: ok 10964
182: ok 10965
182: ok 10966
182: ok 10967
182: ok 10968
182: ok 10969
182: ok 10970
182: ok 10971
182: ok 10972
182: ok 10973
182: ok 10974
182: ok 10975
182: ok 10976
182: ok 10977
182: ok 10978
182: ok 10979
182: ok 10980
182: ok 10981
182: ok 10982
182: ok 10983
182: ok 10984
182: ok 10985
182: ok 10986
182: ok 10987
182: ok 10988
182: ok 10989
182: ok 10990
182: ok 10991
182: ok 10992
182: ok 10993
182: ok 10994
182: ok 10995
182: ok 10996
182: ok 10997
182: ok 10998
182: ok 10999
182: ok 11000
182: ok 11001
182: ok 11002
182: ok 11003
182: ok 11004
182: ok 11005
182: ok 11006
182: ok 11007
182: ok 11008
182: ok 11009
182: ok 11010
182: ok 11011
182: ok 11012
182: ok 11013
182: ok 11014
182: ok 11015
182: ok 11016
182: ok 11017
182: ok 11018
182: ok 11019
182: ok 11020
182: ok 11021
182: ok 11022
182: ok 11023
182: ok 11024
182: ok 11025
182: ok 11026
182: ok 11027
182: ok 11028
182: ok 11029
182: ok 11030
182: ok 11031
182: ok 11032
182: ok 11033
182: ok 11034
182: ok 11035
182: ok 11036
182: ok 11037
182: ok 11038
182: ok 11039
182: ok 11040
182: ok 11041
182: ok 11042
182: ok 11043
182: ok 11044
182: ok 11045
182: ok 11046
182: ok 11047
182: ok 11048
182: ok 11049
182: ok 11050
182: ok 11051
182: ok 11052
182: ok 11053
182: ok 11054
182: ok 11055
182: ok 11056
182: ok 11057
182: ok 11058
182: ok 11059
182: ok 11060
182: ok 11061
182: ok 11062
182: ok 11063
182: ok 11064
182: ok 11065
182: ok 11066
182: ok 11067
182: ok 11068
182: ok 11069
182: ok 11070
182: ok 11071
182: ok 11072
182: ok 11073
182: ok 11074
182: ok 11075
182: ok 11076
182: ok 11077
182: ok 11078
182: ok 11079
182: ok 11080
182: ok 11081
182: ok 11082
182: ok 11083
182: ok 11084
182: ok 11085
182: ok 11086
182: ok 11087
182: ok 11088
182: ok 11089
182: ok 11090
182: ok 11091
182: ok 11092
182: ok 11093
182: ok 11094
182: ok 11095
182: ok 11096
182: ok 11097
182: ok 11098
182: ok 11099
182: ok 11100
182: ok 11101
182: ok 11102
182: ok 11103
182: ok 11104
182: ok 11105
182: ok 11106
182: ok 11107
182: ok 11108
182: ok 11109
182: ok 11110
182: ok 11111
182: ok 11112
182: ok 11113
182: ok 11114
182: ok 11115
182: ok 11116
182: ok 11117
182: ok 11118
182: ok 11119
182: ok 11120
182: ok 11121
182: ok 11122
182: ok 11123
182: ok 11124
182: ok 11125
182: ok 11126
182: ok 11127
182: ok 11128
182: ok 11129
182: ok 11130
182: ok 11131
182: ok 11132
182: ok 11133
182: ok 11134
182: ok 11135
182: ok 11136
182: ok 11137
182: ok 11138
182: ok 11139
182: ok 11140
182: ok 11141
182: ok 11142
182: ok 11143
182: ok 11144
182: ok 11145
182: ok 11146
182: ok 11147
182: ok 11148
182: ok 11149
182: ok 11150
182: ok 11151
182: ok 11152
182: ok 11153
182: ok 11154
182: ok 11155
182: ok 11156
182: ok 11157
182: ok 11158
182: ok 11159
182: ok 11160
182: ok 11161
182: ok 11162
182: ok 11163
182: ok 11164
182: ok 11165
182: ok 11166
182: ok 11167
182: ok 11168
182: ok 11169
182: ok 11170
182: ok 11171
182: ok 11172
182: ok 11173
182: ok 11174
182: ok 11175
182: ok 11176
182: ok 11177
182: ok 11178
182: ok 11179
182: ok 11180
182: ok 11181
182: ok 11182
182: ok 11183
182: ok 11184
182: ok 11185
182: ok 11186
182: ok 11187
182: ok 11188
182: ok 11189
182: ok 11190
182: ok 11191
182: ok 11192
182: ok 11193
182: ok 11194
182: ok 11195
182: ok 11196
182: ok 11197
182: ok 11198
182: ok 11199
182: ok 11200
182: ok 11201
182: ok 11202
182: ok 11203
182: ok 11204
182: ok 11205
182: ok 11206
182: ok 11207
182: ok 11208
182: ok 11209
182: ok 11210
182: ok 11211
182: ok 11212
182: ok 11213
182: ok 11214
182: ok 11215
182: ok 11216
182: ok 11217
182: ok 11218
182: ok 11219
182: ok 11220
182: ok 11221
182: ok 11222
182: ok 11223
182: ok 11224
182: ok 11225
182: ok 11226
182: ok 11227
182: ok 11228
182: ok 11229
182: ok 11230
182: ok 11231
182: ok 11232
182: ok 11233
182: ok 11234
182: ok 11235
182: ok 11236
182: ok 11237
182: ok 11238
182: ok 11239
182: ok 11240
182: ok 11241
182: ok 11242
182: ok 11243
182: ok 11244
182: ok 11245
182: ok 11246
182: ok 11247
182: ok 11248
182: ok 11249
182: ok 11250
182: ok 11251
182: ok 11252
182: ok 11253
182: ok 11254
182: ok 11255
182: ok 11256
182: ok 11257
182: ok 11258
182: ok 11259
182: ok 11260
182: ok 11261
182: ok 11262
182: ok 11263
182: ok 11264
182: ok 11265
182: ok 11266
182: ok 11267
182: ok 11268
182: ok 11269
182: ok 11270
182: ok 11271
182: ok 11272
182: ok 11273
182: ok 11274
182: ok 11275
182: ok 11276
182: ok 11277
182: ok 11278
182: ok 11279
182: ok 11280
182: ok 11281
182: ok 11282
182: ok 11283
182: ok 11284
182: ok 11285
182: ok 11286
182: ok 11287
182: ok 11288
182: ok 11289
182: ok 11290
182: ok 11291
182: ok 11292
182: ok 11293
182: ok 11294
182: ok 11295
182: ok 11296
182: ok 11297
182: ok 11298
182: ok 11299
182: ok 11300
182: ok 11301
182: ok 11302
182: ok 11303
182: ok 11304
182: ok 11305
182: ok 11306
182: ok 11307
182: ok 11308
182: ok 11309
182: ok 11310
182: ok 11311
182: ok 11312
182: ok 11313
182: ok 11314
182: ok 11315
182: ok 11316
182: ok 11317
182: ok 11318
182: ok 11319
182: ok 11320
182: ok 11321
182: ok 11322
182: ok 11323
182: ok 11324
182: ok 11325
182: ok 11326
182: ok 11327
182: ok 11328
182: ok 11329
182: ok 11330
182: ok 11331
182: ok 11332
182: ok 11333
182: ok 11334
182: ok 11335
182: ok 11336
182: ok 11337
182: ok 11338
182: ok 11339
182: ok 11340
182: ok 11341
182: ok 11342
182: ok 11343
182: ok 11344
182: ok 11345
182: ok 11346
182: ok 11347
182: ok 11348
182: ok 11349
182: ok 11350
182: ok 11351
182: ok 11352
182: ok 11353
182: ok 11354
182: ok 11355
182: ok 11356
182: ok 11357
182: ok 11358
182: ok 11359
182: ok 11360
182: ok 11361
182: ok 11362
182: ok 11363
182: ok 11364
182: ok 11365
182: ok 11366
182: ok 11367
182: ok 11368
182: ok 11369
182: ok 11370
182: ok 11371
182: ok 11372
182: ok 11373
182: ok 11374
182: ok 11375
182: ok 11376
182: ok 11377
182: ok 11378
182: ok 11379
182: ok 11380
182: ok 11381
182: ok 11382
182: ok 11383
182: ok 11384
182: ok 11385
182: ok 11386
182: ok 11387
182: ok 11388
182: ok 11389
182: ok 11390
182: ok 11391
182: ok 11392
182: ok 11393
182: ok 11394
182: ok 11395
182: ok 11396
182: ok 11397
182: ok 11398
182: ok 11399
182: ok 11400
182: ok 11401
182: ok 11402
182: ok 11403
182: ok 11404
182: ok 11405
182: ok 11406
182: ok 11407
182: ok 11408
182: ok 11409
182: ok 11410
182: ok 11411
182: ok 11412
182: ok 11413
182: ok 11414
182: ok 11415
182: ok 11416
182: ok 11417
182: ok 11418
182: ok 11419
182: ok 11420
182: ok 11421
182: ok 11422
182: ok 11423
182: ok 11424
182: ok 11425
182: ok 11426
182: ok 11427
182: ok 11428
182: ok 11429
182: ok 11430
182: ok 11431
182: ok 11432
182: ok 11433
182: ok 11434
182: ok 11435
182: ok 11436
182: ok 11437
182: ok 11438
182: ok 11439
182: ok 11440
182: ok 11441
182: ok 11442
182: ok 11443
182: ok 11444
182: ok 11445
182: ok 11446
182: ok 11447
182: ok 11448
182: ok 11449
182: ok 11450
182: ok 11451
182: ok 11452
182: ok 11453
182: ok 11454
182: ok 11455
182: ok 11456
182: ok 11457
182: ok 11458
182: ok 11459
182: ok 11460
182: ok 11461
182: ok 11462
182: ok 11463
182: ok 11464
182: ok 11465
182: ok 11466
182: ok 11467
182: ok 11468
182: ok 11469
182: ok 11470
182: ok 11471
182: ok 11472
182: ok 11473
182: ok 11474
182: ok 11475
182: ok 11476
182: ok 11477
182: ok 11478
182: ok 11479
182: ok 11480
182: ok 11481
182: ok 11482
182: ok 11483
182: ok 11484
182: ok 11485
182: ok 11486
182: ok 11487
182: ok 11488
182: ok 11489
182: ok 11490
182: ok 11491
182: ok 11492
182: ok 11493
182: ok 11494
182: ok 11495
182: ok 11496
182: ok 11497
182: ok 11498
182: ok 11499
182: ok 11500
182: ok 11501
182: ok 11502
182: ok 11503
182: ok 11504
182: ok 11505
182: ok 11506
182: ok 11507
182: ok 11508
182: ok 11509
182: ok 11510
182: ok 11511
182: ok 11512
182: ok 11513
182: ok 11514
182: ok 11515
182: ok 11516
182: ok 11517
182: ok 11518
182: ok 11519
182: ok 11520
182: ok 11521
182: ok 11522
182: ok 11523
182: ok 11524
182: ok 11525
182: ok 11526
182: ok 11527
182: ok 11528
182: ok 11529
182: ok 11530
182: ok 11531
182: ok 11532
182: ok 11533
182: ok 11534
182: ok 11535
182: ok 11536
182: ok 11537
182: ok 11538
182: ok 11539
182: ok 11540
182: ok 11541
182: ok 11542
182: ok 11543
182: ok 11544
182: ok 11545
182: ok 11546
182: ok 11547
182: ok 11548
182: ok 11549
182: ok 11550
182: ok 11551
182: ok 11552
182: ok 11553
182: ok 11554
182: ok 11555
182: ok 11556
182: ok 11557
182: ok 11558
182: ok 11559
182: ok 11560
182: ok 11561
182: ok 11562
182: ok 11563
182: ok 11564
182: ok 11565
182: ok 11566
182: ok 11567
182: ok 11568
182: ok 11569
182: ok 11570
182: ok 11571
182: ok 11572
182: ok 11573
182: ok 11574
182: ok 11575
182: ok 11576
182: ok 11577
182: ok 11578
182: ok 11579
182: ok 11580
182: ok 11581
182: ok 11582
182: ok 11583
182: ok 11584
182: ok 11585
182: ok 11586
182: ok 11587
182: ok 11588
182: ok 11589
182: ok 11590
182: ok 11591
182: ok 11592
182: ok 11593
182: ok 11594
182: ok 11595
182: ok 11596
182: ok 11597
182: ok 11598
182: ok 11599
182: ok 11600
182: ok 11601
182: ok 11602
182: ok 11603
182: ok 11604
182: ok 11605
182: ok 11606
182: ok 11607
182: ok 11608
182: ok 11609
182: ok 11610
182: ok 11611
182: ok 11612
182: ok 11613
182: ok 11614
182: ok 11615
182: ok 11616
182: ok 11617
182: ok 11618
182: ok 11619
182: ok 11620
182: ok 11621
182: ok 11622
182: ok 11623
182: ok 11624
182: ok 11625
182: ok 11626
182: ok 11627
182: ok 11628
182: ok 11629
182: ok 11630
182: ok 11631
182: ok 11632
182: ok 11633
182: ok 11634
182: ok 11635
182: ok 11636
182: ok 11637
182: ok 11638
182: ok 11639
182: ok 11640
182: ok 11641
182: ok 11642
182: ok 11643
182: ok 11644
182: ok 11645
182: ok 11646
182: ok 11647
182: ok 11648
182: ok 11649
182: ok 11650
182: ok 11651
182: ok 11652
182: ok 11653
182: ok 11654
182: ok 11655
182: ok 11656
182: ok 11657
182: ok 11658
182: ok 11659
182: ok 11660
182: ok 11661
182: ok 11662
182: ok 11663
182: ok 11664
182: ok 11665
182: ok 11666
182: ok 11667
182: ok 11668
182: ok 11669
182: ok 11670
182: ok 11671
182: ok 11672
182: ok 11673
182: ok 11674
182: ok 11675
182: ok 11676
182: ok 11677
182: ok 11678
182: ok 11679
182: ok 11680
182: ok 11681
182: ok 11682
182: ok 11683
182: ok 11684
182: ok 11685
182: ok 11686
182: ok 11687
182: ok 11688
182: ok 11689
182: ok 11690
182: ok 11691
182: ok 11692
182: ok 11693
182: ok 11694
182: ok 11695
182: ok 11696
182: ok 11697
182: ok 11698
182: ok 11699
182: ok 11700
182: ok 11701
182: ok 11702
182: ok 11703
182: ok 11704
182: ok 11705
182: ok 11706
182: ok 11707
182: ok 11708
182: ok 11709
182: ok 11710
182: ok 11711
182: ok 11712
182: ok 11713
182: ok 11714
182: ok 11715
182: ok 11716
182: ok 11717
182: ok 11718
182: ok 11719
182: ok 11720
182: ok 11721
182: ok 11722
182: ok 11723
182: ok 11724
182: ok 11725
182: ok 11726
182: ok 11727
182: ok 11728
182: ok 11729
182: ok 11730
182: ok 11731
182: ok 11732
182: ok 11733
182: ok 11734
182: ok 11735
182: ok 11736
182: ok 11737
182: ok 11738
182: ok 11739
182: ok 11740
182: ok 11741
182: ok 11742
182: ok 11743
182: ok 11744
182: ok 11745
182: ok 11746
182: ok 11747
182: ok 11748
182: ok 11749
182: ok 11750
182: ok 11751
182: ok 11752
182: ok 11753
182: ok 11754
182: ok 11755
182: ok 11756
182: ok 11757
182: ok 11758
182: ok 11759
182: ok 11760
182: ok 11761
182: ok 11762
182: ok 11763
182: ok 11764
182: ok 11765
182: ok 11766
182: ok 11767
182: ok 11768
182: ok 11769
182: ok 11770
182: ok 11771
182: ok 11772
182: ok 11773
182: ok 11774
182: ok 11775
182: ok 11776
182: ok 11777
182: ok 11778
182: ok 11779
182: ok 11780
182: ok 11781
182: ok 11782
182: ok 11783
182: ok 11784
182: ok 11785
182: ok 11786
182: ok 11787
182: ok 11788
182: ok 11789
182: ok 11790
182: ok 11791
182: ok 11792
182: ok 11793
182: ok 11794
182: ok 11795
182: ok 11796
182: ok 11797
182: ok 11798
182: ok 11799
182: ok 11800
182: ok 11801
182: ok 11802
182: ok 11803
182: ok 11804
182: ok 11805
182: ok 11806
182: ok 11807
182: ok 11808
182: ok 11809
182: ok 11810
182: ok 11811
182: ok 11812
182: ok 11813
182: ok 11814
182: ok 11815
182: ok 11816
182: ok 11817
182: ok 11818
182: ok 11819
182: ok 11820
182: ok 11821
182: ok 11822
182: ok 11823
182: ok 11824
182: ok 11825
182: ok 11826
182: ok 11827
182: ok 11828
182: ok 11829
182: ok 11830
182: ok 11831
182: ok 11832
182: ok 11833
182: ok 11834
182: ok 11835
182: ok 11836
182: ok 11837
182: ok 11838
182: ok 11839
182: ok 11840
182: ok 11841
182: ok 11842
182: ok 11843
182: ok 11844
182: ok 11845
182: ok 11846
182: ok 11847
182: ok 11848
182: ok 11849
182: ok 11850
182: ok 11851
182: ok 11852
182: ok 11853
182: ok 11854
182: ok 11855
182: ok 11856
182: ok 11857
182: ok 11858
182: ok 11859
182: ok 11860
182: ok 11861
182: ok 11862
182: ok 11863
182: ok 11864
182: ok 11865
182: ok 11866
182: ok 11867
182: ok 11868
182: ok 11869
182: ok 11870
182: ok 11871
182: ok 11872
182: ok 11873
182: ok 11874
182: ok 11875
182: ok 11876
182: ok 11877
182: ok 11878
182: ok 11879
182: ok 11880
182: ok 11881
182: ok 11882
182: ok 11883
182: ok 11884
182: ok 11885
182: ok 11886
182: ok 11887
182: ok 11888
182: ok 11889
182: ok 11890
182: ok 11891
182: ok 11892
182: ok 11893
182: ok 11894
182: ok 11895
182: ok 11896
182: ok 11897
182: ok 11898
182: ok 11899
182: ok 11900
182: ok 11901
182: ok 11902
182: ok 11903
182: ok 11904
182: ok 11905
182: ok 11906
182: ok 11907
182: ok 11908
182: ok 11909
182: ok 11910
182: ok 11911
182: ok 11912
182: ok 11913
182: ok 11914
182: ok 11915
182: ok 11916
182: ok 11917
182: ok 11918
182: ok 11919
182: ok 11920
182: ok 11921
182: ok 11922
182: ok 11923
182: ok 11924
182: ok 11925
182: ok 11926
182: ok 11927
182: ok 11928
182: ok 11929
182: ok 11930
182: ok 11931
182: ok 11932
182: ok 11933
182: ok 11934
182: ok 11935
182: ok 11936
182: ok 11937
182: ok 11938
182: ok 11939
182: ok 11940
182: ok 11941
182: ok 11942
182: ok 11943
182: ok 11944
182: ok 11945
182: ok 11946
182: ok 11947
182: ok 11948
182: ok 11949
182: ok 11950
182: ok 11951
182: ok 11952
182: ok 11953
182: ok 11954
182: ok 11955
182: ok 11956
182: ok 11957
182: ok 11958
182: ok 11959
182: ok 11960
182: ok 11961
182: ok 11962
182: ok 11963
182: ok 11964
182: ok 11965
182: ok 11966
182: ok 11967
182: ok 11968
182: ok 11969
182: ok 11970
182: ok 11971
182: ok 11972
182: ok 11973
182: ok 11974
182: ok 11975
182: ok 11976
182: ok 11977
182: ok 11978
182: ok 11979
182: ok 11980
182: ok 11981
182: ok 11982
182: ok 11983
182: ok 11984
182: ok 11985
182: ok 11986
182: ok 11987
182: ok 11988
182: ok 11989
182: ok 11990
182: ok 11991
182: ok 11992
182: ok 11993
182: ok 11994
182: ok 11995
182: ok 11996
182: ok 11997
182: ok 11998
182: ok 11999
182: ok 12000
182: ok 12001
182: ok 12002
182: ok 12003
182: ok 12004
182: ok 12005
182: ok 12006
182: ok 12007
182: ok 12008
182: ok 12009
182: ok 12010
182: ok 12011
182: ok 12012
182: ok 12013
182: ok 12014
182: ok 12015
182: ok 12016
182: ok 12017
182: ok 12018
182: ok 12019
182: ok 12020
182: ok 12021
182: ok 12022
182: ok 12023
182: ok 12024
182: ok 12025
182: ok 12026
182: ok 12027
182: ok 12028
182: ok 12029
182: ok 12030
182: ok 12031
182: ok 12032
182: ok 12033
182: ok 12034
182: ok 12035
182: ok 12036
182: ok 12037
182: ok 12038
182: ok 12039
182: ok 12040
182: ok 12041
182: ok 12042
182: ok 12043
182: ok 12044
182: ok 12045
182: ok 12046
182: ok 12047
182: ok 12048
182: ok 12049
182: ok 12050
182: ok 12051
182: ok 12052
182: ok 12053
182: ok 12054
182: ok 12055
182: ok 12056
182: ok 12057
182: ok 12058
182: ok 12059
182: ok 12060
182: ok 12061
182: ok 12062
182: ok 12063
182: ok 12064
182: ok 12065
182: ok 12066
182: ok 12067
182: ok 12068
182: ok 12069
182: ok 12070
182: ok 12071
182: ok 12072
182: ok 12073
182: ok 12074
182: ok 12075
182: ok 12076
182: ok 12077
182: ok 12078
182: ok 12079
182: ok 12080
182: ok 12081
182: ok 12082
182: ok 12083
182: ok 12084
182: ok 12085
182: ok 12086
182: ok 12087
182: ok 12088
182: ok 12089
182: ok 12090
182: ok 12091
182: ok 12092
182: ok 12093
182: ok 12094
182: ok 12095
182: ok 12096
182: ok 12097
182: ok 12098
182: ok 12099
182: ok 12100
182: ok 12101
182: ok 12102
182: ok 12103
182: ok 12104
182: ok 12105
182: ok 12106
182: ok 12107
182: ok 12108
182: ok 12109
182: ok 12110
182: ok 12111
182: ok 12112
182: ok 12113
182: ok 12114
182: ok 12115
182: ok 12116
182: ok 12117
182: ok 12118
182: ok 12119
182: ok 12120
182: ok 12121
182: ok 12122
182: ok 12123
182: ok 12124
182: ok 12125
182: ok 12126
182: ok 12127
182: ok 12128
182: ok 12129
182: ok 12130
182: ok 12131
182: ok 12132
182: ok 12133
182: ok 12134
182: ok 12135
182: ok 12136
182: ok 12137
182: ok 12138
182: ok 12139
182: ok 12140
182: ok 12141
182: ok 12142
182: ok 12143
182: ok 12144
182: ok 12145
182: ok 12146
182: ok 12147
182: ok 12148
182: ok 12149
182: ok 12150
182: ok 12151
182: ok 12152
182: ok 12153
182: ok 12154
182: ok 12155
182: ok 12156
182: ok 12157
182: ok 12158
182: ok 12159
182: ok 12160
182: ok 12161
182: ok 12162
182: ok 12163
182: ok 12164
182: ok 12165
182: ok 12166
182: ok 12167
182: ok 12168
182: ok 12169
182: ok 12170
182: ok 12171
182: ok 12172
182: ok 12173
182: ok 12174
182: ok 12175
182: ok 12176
182: ok 12177
182: ok 12178
182: ok 12179
182: ok 12180
182: ok 12181
182: ok 12182
182: ok 12183
182: ok 12184
182: ok 12185
182: ok 12186
182: ok 12187
182: ok 12188
182: ok 12189
182: ok 12190
182: ok 12191
182: ok 12192
182: ok 12193
182: ok 12194
182: ok 12195
182: ok 12196
182: ok 12197
182: ok 12198
182: ok 12199
182: ok 12200
182: ok 12201
182: ok 12202
182: ok 12203
182: ok 12204
182: ok 12205
182: ok 12206
182: ok 12207
182: ok 12208
182: ok 12209
182: ok 12210
182: ok 12211
182: ok 12212
182: ok 12213
182: ok 12214
182: ok 12215
182: ok 12216
182: ok 12217
182: ok 12218
182: ok 12219
182: ok 12220
182: ok 12221
182: ok 12222
182: ok 12223
182: ok 12224
182: ok 12225
182: ok 12226
182: ok 12227
182: ok 12228
182: ok 12229
182: ok 12230
182: ok 12231
182: ok 12232
182: ok 12233
182: ok 12234
182: ok 12235
182: ok 12236
182: ok 12237
182: ok 12238
182: ok 12239
182: ok 12240
182: ok 12241
182: ok 12242
182: ok 12243
182: ok 12244
182: ok 12245
182: ok 12246
182: ok 12247
182: ok 12248
182: ok 12249
182: ok 12250
182: ok 12251
182: ok 12252
182: ok 12253
182: ok 12254
182: ok 12255
182: ok 12256
182: ok 12257
182: ok 12258
182: ok 12259
182: ok 12260
182: ok 12261
182: ok 12262
182: ok 12263
182: ok 12264
182: ok 12265
182: ok 12266
182: ok 12267
182: ok 12268
182: ok 12269
182: ok 12270
182: ok 12271
182: ok 12272
182: ok 12273
182: ok 12274
182: ok 12275
182: ok 12276
182: ok 12277
182: ok 12278
182: ok 12279
182: ok 12280
182: ok 12281
182: ok 12282
182: ok 12283
182: ok 12284
182: ok 12285
182: ok 12286
182: ok 12287
182: ok 12288
182: ok 12289
182: ok 12290
182: ok 12291
182: ok 12292
182: ok 12293
182: ok 12294
182: ok 12295
182: ok 12296
182: ok 12297
182: ok 12298
182: ok 12299
182: ok 12300
182: ok 12301
182: ok 12302
182: ok 12303
182: ok 12304
182: ok 12305
182: ok 12306
182: ok 12307
182: ok 12308
182: ok 12309
182: ok 12310
182: ok 12311
182: ok 12312
182: ok 12313
182: ok 12314
182: ok 12315
182: ok 12316
182: ok 12317
182: ok 12318
182: ok 12319
182: ok 12320
182: ok 12321
182: ok 12322
182: ok 12323
182: ok 12324
182: ok 12325
182: ok 12326
182: ok 12327
182: ok 12328
182: ok 12329
182: ok 12330
182: ok 12331
182: ok 12332
182: ok 12333
182: ok 12334
182: ok 12335
182: ok 12336
182: ok 12337
182: ok 12338
182: ok 12339
182: ok 12340
182: ok 12341
182: ok 12342
182: ok 12343
182: ok 12344
182: ok 12345
182: ok 12346
182: ok 12347
182: ok 12348
182: ok 12349
182: ok 12350
182: ok 12351
182: ok 12352
182: ok 12353
182: ok 12354
182: ok 12355
182: ok 12356
182: ok 12357
182: ok 12358
182: ok 12359
182: ok 12360
182: ok 12361
182: ok 12362
182: ok 12363
182: ok 12364
182: ok 12365
182: ok 12366
182: ok 12367
182: ok 12368
182: ok 12369
182: ok 12370
182: ok 12371
182: ok 12372
182: ok 12373
182: ok 12374
182: ok 12375
182: ok 12376
182: ok 12377
182: ok 12378
182: ok 12379
182: ok 12380
182: ok 12381
182: ok 12382
182: ok 12383
182: ok 12384
182: ok 12385
182: ok 12386
182: ok 12387
182: ok 12388
182: ok 12389
182: ok 12390
182: ok 12391
182: ok 12392
182: ok 12393
182: ok 12394
182: ok 12395
182: ok 12396
182: ok 12397
182: ok 12398
182: ok 12399
182: ok 12400
182: ok 12401
182: ok 12402
182: ok 12403
182: ok 12404
182: ok 12405
182: ok 12406
182: ok 12407
182: ok 12408
182: ok 12409
182: ok 12410
182: ok 12411
182: ok 12412
182: ok 12413
182: ok 12414
182: ok 12415
182: ok 12416
182: ok 12417
182: ok 12418
182: ok 12419
182: ok 12420
182: ok 12421
182: ok 12422
182: ok 12423
182: ok 12424
182: ok 12425
182: ok 12426
182: ok 12427
182: ok 12428
182: ok 12429
182: ok 12430
182: ok 12431
182: ok 12432
182: ok 12433
182: ok 12434
182: ok 12435
182: ok 12436
182: ok 12437
182: ok 12438
182: ok 12439
182: ok 12440
182: ok 12441
182: ok 12442
182: ok 12443
182: ok 12444
182: ok 12445
182: ok 12446
182: ok 12447
182: ok 12448
182: ok 12449
182: ok 12450
182: ok 12451
182: ok 12452
182: ok 12453
182: ok 12454
182: ok 12455
182: ok 12456
182: ok 12457
182: ok 12458
182: ok 12459
182: ok 12460
182: ok 12461
182: ok 12462
182: ok 12463
182: ok 12464
182: ok 12465
182: ok 12466
182: ok 12467
182: ok 12468
182: ok 12469
182: ok 12470
182: ok 12471
182: ok 12472
182: ok 12473
182: ok 12474
182: ok 12475
182: ok 12476
182: ok 12477
182: ok 12478
182: ok 12479
182: ok 12480
182: ok 12481
182: ok 12482
182: ok 12483
182: ok 12484
182: ok 12485
182: ok 12486
182: ok 12487
182: ok 12488
182: ok 12489
182: ok 12490
182: ok 12491
182: ok 12492
182: ok 12493
182: ok 12494
182: ok 12495
182: ok 12496
182: ok 12497
182: ok 12498
182: ok 12499
182: ok 12500
182: ok 12501
182: ok 12502
182: ok 12503
182: ok 12504
182: ok 12505
182: ok 12506
182: ok 12507
182: ok 12508
182: ok 12509
182: ok 12510
182: ok 12511
182: ok 12512
182: ok 12513
182: ok 12514
182: ok 12515
182: ok 12516
182: ok 12517
182: ok 12518
182: ok 12519
182: ok 12520
182: ok 12521
182: ok 12522
182: ok 12523
182: ok 12524
182: ok 12525
182: ok 12526
182: ok 12527
182: ok 12528
182: ok 12529
182: ok 12530
182: ok 12531
182: ok 12532
182: ok 12533
182: ok 12534
182: ok 12535
182: ok 12536
182: ok 12537
182: ok 12538
182: ok 12539
182: ok 12540
182: ok 12541
182: ok 12542
182: ok 12543
182: ok 12544
182: ok 12545
182: ok 12546
182: ok 12547
182: ok 12548
182: ok 12549
182: ok 12550
182: ok 12551
182: ok 12552
182: ok 12553
182: ok 12554
182: ok 12555
182: ok 12556
182: ok 12557
182: ok 12558
182: ok 12559
182: ok 12560
182: ok 12561
182: ok 12562
182: ok 12563
182: ok 12564
182: ok 12565
182: ok 12566
182: ok 12567
182: ok 12568
182: ok 12569
182: ok 12570
182: ok 12571
182: ok 12572
182: ok 12573
182: ok 12574
182: ok 12575
182: ok 12576
182: ok 12577
182: ok 12578
182: ok 12579
182: ok 12580
182: ok 12581
182: ok 12582
182: ok 12583
182: ok 12584
182: ok 12585
182: ok 12586
182: ok 12587
182: ok 12588
182: ok 12589
182: ok 12590
182: ok 12591
182: ok 12592
182: ok 12593
182: ok 12594
182: ok 12595
182: ok 12596
182: ok 12597
182: ok 12598
182: ok 12599
182: ok 12600
182: ok 12601
182: ok 12602
182: ok 12603
182: ok 12604
182: ok 12605
182: ok 12606
182: ok 12607
182: ok 12608
182: ok 12609
182: ok 12610
182: ok 12611
182: ok 12612
182: ok 12613
182: ok 12614
182: ok 12615
182: ok 12616
182: ok 12617
182: ok 12618
182: ok 12619
182: ok 12620
182: ok 12621
182: ok 12622
182: ok 12623
182: ok 12624
182: ok 12625
182: ok 12626
182: ok 12627
182: ok 12628
182: ok 12629
182: ok 12630
182: ok 12631
182: ok 12632
182: ok 12633
182: ok 12634
182: ok 12635
182: ok 12636
182: ok 12637
182: ok 12638
182: ok 12639
182: ok 12640
182: ok 12641
182: ok 12642
182: ok 12643
182: ok 12644
182: ok 12645
182: ok 12646
182: ok 12647
182: ok 12648
182: ok 12649
182: ok 12650
182: ok 12651
182: ok 12652
182: ok 12653
182: ok 12654
182: ok 12655
182: ok 12656
182: ok 12657
182: ok 12658
182: ok 12659
182: ok 12660
182: ok 12661
182: ok 12662
182: ok 12663
182: ok 12664
182: ok 12665
182: ok 12666
182: ok 12667
182: ok 12668
182: ok 12669
182: ok 12670
182: ok 12671
182: ok 12672
182: ok 12673
182: ok 12674
182: ok 12675
182: ok 12676
182: ok 12677
182: ok 12678
182: ok 12679
182: ok 12680
182: ok 12681
182: ok 12682
182: ok 12683
182: ok 12684
182: ok 12685
182: ok 12686
182: ok 12687
182: ok 12688
182: ok 12689
182: ok 12690
182: ok 12691
182: ok 12692
182: ok 12693
182: ok 12694
182: ok 12695
182: ok 12696
182: ok 12697
182: ok 12698
182: ok 12699
182: ok 12700
182: ok 12701
182: ok 12702
182: ok 12703
182: ok 12704
182: ok 12705
182: ok 12706
182: ok 12707
182: ok 12708
182: ok 12709
182: ok 12710
182: ok 12711
182: ok 12712
182: ok 12713
182: ok 12714
182: ok 12715
182: ok 12716
182: ok 12717
182: ok 12718
182: ok 12719
182: ok 12720
182: ok 12721
182: ok 12722
182: ok 12723
182: ok 12724
182: ok 12725
182: ok 12726
182: ok 12727
182: ok 12728
182: ok 12729
182: ok 12730
182: ok 12731
182: ok 12732
182: ok 12733
182: ok 12734
182: ok 12735
182: ok 12736
182: ok 12737
182: ok 12738
182: ok 12739
182: ok 12740
182: ok 12741
182: ok 12742
182: ok 12743
182: ok 12744
182: ok 12745
182: ok 12746
182: ok 12747
182: ok 12748
182: ok 12749
182: ok 12750
182: ok 12751
182: ok 12752
182: ok 12753
182: ok 12754
182: ok 12755
182: ok 12756
182: ok 12757
182: ok 12758
182: ok 12759
182: ok 12760
182: ok 12761
182: ok 12762
182: ok 12763
182: ok 12764
182: ok 12765
182: ok 12766
182: ok 12767
182: ok 12768
182: ok 12769
182: ok 12770
182: ok 12771
182: ok 12772
182: ok 12773
182: ok 12774
182: ok 12775
182: ok 12776
182: ok 12777
182: ok 12778
182: ok 12779
182: ok 12780
182: ok 12781
182: ok 12782
182: ok 12783
182: ok 12784
182: ok 12785
182: ok 12786
182: ok 12787
182: ok 12788
182: ok 12789
182: ok 12790
182: ok 12791
182: ok 12792
182: ok 12793
182: ok 12794
182: ok 12795
182: ok 12796
182: ok 12797
182: ok 12798
182: ok 12799
182: ok 12800
182: ok 12801
182: ok 12802
182: ok 12803
182: ok 12804
182: ok 12805
182: ok 12806
182: ok 12807
182: ok 12808
182: ok 12809
182: ok 12810
182: ok 12811
182: ok 12812
182: ok 12813
182: ok 12814
182: ok 12815
182: ok 12816
182: ok 12817
182: ok 12818
182: ok 12819
182: ok 12820
182: ok 12821
182: ok 12822
182: ok 12823
182: ok 12824
182: ok 12825
182: ok 12826
182: ok 12827
182: ok 12828
182: ok 12829
182: ok 12830
182: ok 12831
182: ok 12832
182: ok 12833
182: ok 12834
182: ok 12835
182: ok 12836
182: ok 12837
182: ok 12838
182: ok 12839
182: ok 12840
182: ok 12841
182: ok 12842
182: ok 12843
182: ok 12844
182: ok 12845
182: ok 12846
182: ok 12847
182: ok 12848
182: ok 12849
182: ok 12850
182: ok 12851
182: ok 12852
182: ok 12853
182: ok 12854
182: ok 12855
182: ok 12856
182: ok 12857
182: ok 12858
182: ok 12859
182: ok 12860
182: ok 12861
182: ok 12862
182: ok 12863
182: ok 12864
182: ok 12865
182: ok 12866
182: ok 12867
182: ok 12868
182: ok 12869
182: ok 12870
182: ok 12871
182: ok 12872
182: ok 12873
182: ok 12874
182: ok 12875
182: ok 12876
182: ok 12877
182: ok 12878
182: ok 12879
182: ok 12880
182: ok 12881
182: ok 12882
182: ok 12883
182: ok 12884
182: ok 12885
182: ok 12886
182: ok 12887
182: ok 12888
182: ok 12889
182: ok 12890
182: ok 12891
182: ok 12892
182: ok 12893
182: ok 12894
182: ok 12895
182: ok 12896
182: ok 12897
182: ok 12898
182: ok 12899
182: ok 12900
182: ok 12901
182: ok 12902
182: ok 12903
182: ok 12904
182: ok 12905
182: ok 12906
182: ok 12907
182: ok 12908
182: ok 12909
182: ok 12910
182: ok 12911
182: ok 12912
182: ok 12913
182: ok 12914
182: ok 12915
182: ok 12916
182: ok 12917
182: ok 12918
182: ok 12919
182: ok 12920
182: ok 12921
182: ok 12922
182: ok 12923
182: ok 12924
182: ok 12925
182: ok 12926
182: ok 12927
182: ok 12928
182: ok 12929
182: ok 12930
182: ok 12931
182: ok 12932
182: ok 12933
182: ok 12934
182: ok 12935
182: ok 12936
182: ok 12937
182: ok 12938
182: ok 12939
182: ok 12940
182: ok 12941
182: ok 12942
182: ok 12943
182: ok 12944
182: ok 12945
182: ok 12946
182: ok 12947
182: ok 12948
182: ok 12949
182: ok 12950
182: ok 12951
182: ok 12952
182: ok 12953
182: ok 12954
182: ok 12955
182: ok 12956
182: ok 12957
182: ok 12958
182: ok 12959
182: ok 12960
182: ok 12961
182: ok 12962
182: ok 12963
182: ok 12964
182: ok 12965
182: ok 12966
182: ok 12967
182: ok 12968
182: ok 12969
182: ok 12970
182: ok 12971
182: ok 12972
182: ok 12973
182: ok 12974
182: ok 12975
182: ok 12976
182: ok 12977
182: ok 12978
182: ok 12979
182: ok 12980
182: ok 12981
182: ok 12982
182: ok 12983
182: ok 12984
182: ok 12985
182: ok 12986
182: ok 12987
182: ok 12988
182: ok 12989
182: ok 12990
182: ok 12991
182: ok 12992
182: ok 12993
182: ok 12994
182: ok 12995
182: ok 12996
182: ok 12997
182: ok 12998
182: ok 12999
182: ok 13000
182: ok 13001
182: ok 13002
182: ok 13003
182: ok 13004
182: ok 13005
182: ok 13006
182: ok 13007
182: ok 13008
182: ok 13009
182: ok 13010
182: ok 13011
182: ok 13012
182: ok 13013
182: ok 13014
182: ok 13015
182: ok 13016
182: ok 13017
182: ok 13018
182: ok 13019
182: ok 13020
182: ok 13021
182: ok 13022
182: ok 13023
182: ok 13024
182: ok 13025
182: ok 13026
182: ok 13027
182: ok 13028
182: ok 13029
182: ok 13030
182: ok 13031
182: ok 13032
182: ok 13033
182: ok 13034
182: ok 13035
182: ok 13036
182: ok 13037
182: ok 13038
182: ok 13039
182: ok 13040
182: ok 13041
182: ok 13042
182: ok 13043
182: ok 13044
182: ok 13045
182: ok 13046
182: ok 13047
182: ok 13048
182: ok 13049
182: ok 13050
182: ok 13051
182: ok 13052
182: ok 13053
182: ok 13054
182: ok 13055
182: ok 13056
182: ok 13057
182: ok 13058
182: ok 13059
182: ok 13060
182: ok 13061
182: ok 13062
182: ok 13063
182: ok 13064
182: ok 13065
182: ok 13066
182: ok 13067
182: ok 13068
182: ok 13069
182: ok 13070
182: ok 13071
182: ok 13072
182: ok 13073
182: ok 13074
182: ok 13075
182: ok 13076
182: ok 13077
182: ok 13078
182: ok 13079
182: ok 13080
182: ok 13081
182: ok 13082
182: ok 13083
182: ok 13084
182: ok 13085
182: ok 13086
182: ok 13087
182: ok 13088
182: ok 13089
182: ok 13090
182: ok 13091
182: ok 13092
182: ok 13093
182: ok 13094
182: ok 13095
182: ok 13096
182: ok 13097
182: ok 13098
182: ok 13099
182: ok 13100
182: ok 13101
182: ok 13102
182: ok 13103
182: ok 13104
182: ok 13105
182: ok 13106
182: ok 13107
182: ok 13108
182: ok 13109
182: ok 13110
182: ok 13111
182: ok 13112
182: ok 13113
182: ok 13114
182: ok 13115
182: ok 13116
182: ok 13117
182: ok 13118
182: ok 13119
182: ok 13120
182: ok 13121
182: ok 13122
182: ok 13123
182: ok 13124
182: ok 13125
182: ok 13126
182: ok 13127
182: ok 13128
182: ok 13129
182: ok 13130
182: ok 13131
182: ok 13132
182: ok 13133
182: ok 13134
182: ok 13135
182: ok 13136
182: ok 13137
182: ok 13138
182: ok 13139
182: ok 13140
182: ok 13141
182: ok 13142
182: ok 13143
182: ok 13144
182: ok 13145
182: ok 13146
182: ok 13147
182: ok 13148
182: ok 13149
182: ok 13150
182: ok 13151
182: ok 13152
182: ok 13153
182: ok 13154
182: ok 13155
182: ok 13156
182: ok 13157
182: ok 13158
182: ok 13159
182: ok 13160
182: ok 13161
182: ok 13162
182: ok 13163
182: ok 13164
182: ok 13165
182: ok 13166
182: ok 13167
182: ok 13168
182: ok 13169
182: ok 13170
182: ok 13171
182: ok 13172
182: ok 13173
182: ok 13174
182: ok 13175
182: ok 13176
182: ok 13177
182: ok 13178
182: ok 13179
182: ok 13180
182: ok 13181
182: ok 13182
182: ok 13183
182: ok 13184
182: ok 13185
182: ok 13186
182: ok 13187
182: ok 13188
182: ok 13189
182: ok 13190
182: ok 13191
182: ok 13192
182: ok 13193
182: ok 13194
182: ok 13195
182: ok 13196
182: ok 13197
182: ok 13198
182: ok 13199
182: ok 13200
182: ok 13201
182: ok 13202
182: ok 13203
182: ok 13204
182: ok 13205
182: ok 13206
182: ok 13207
182: ok 13208
182: ok 13209
182: ok 13210
182: ok 13211
182: ok 13212
182: ok 13213
182: ok 13214
182: ok 13215
182: ok 13216
182: ok 13217
182: ok 13218
182: ok 13219
182: ok 13220
182: ok 13221
182: ok 13222
182: ok 13223
182: ok 13224
182: ok 13225
182: ok 13226
182: ok 13227
182: ok 13228
182: ok 13229
182: ok 13230
182: ok 13231
182: ok 13232
182: ok 13233
182: ok 13234
182: ok 13235
182: ok 13236
182: ok 13237
182: ok 13238
182: ok 13239
182: ok 13240
182: ok 13241
182: ok 13242
182: ok 13243
182: ok 13244
182: ok 13245
182: ok 13246
182: ok 13247
182: ok 13248
182: ok 13249
182: ok 13250
182: ok 13251
182: ok 13252
182: ok 13253
182: ok 13254
182: ok 13255
182: ok 13256
182: ok 13257
182: ok 13258
182: ok 13259
182: ok 13260
182: ok 13261
182: ok 13262
182: ok 13263
182: ok 13264
182: ok 13265
182: ok 13266
182: ok 13267
182: ok 13268
182: ok 13269
182: ok 13270
182: ok 13271
182: ok 13272
182: ok 13273
182: ok 13274
182: ok 13275
182: ok 13276
182: ok 13277
182: ok 13278
182: ok 13279
182: ok 13280
182: ok 13281
182: ok 13282
182: ok 13283
182: ok 13284
182: ok 13285
182: ok 13286
182: ok 13287
182: ok 13288
182: ok 13289
182: ok 13290
182: ok 13291
182: ok 13292
182: ok 13293
182: ok 13294
182: ok 13295
182: ok 13296
182: ok 13297
182: ok 13298
182: ok 13299
182: ok 13300
182: ok 13301
182: ok 13302
182: ok 13303
182: ok 13304
182: ok 13305
182: ok 13306
182: ok 13307
182: ok 13308
182: ok 13309
182: ok 13310
182: ok 13311
182: ok 13312
182: ok 13313
182: ok 13314
182: ok 13315
182: ok 13316
182: ok 13317
182: ok 13318
182: ok 13319
182: ok 13320
182: ok 13321
182: ok 13322
182: ok 13323
182: ok 13324
182: ok 13325
182: ok 13326
182: ok 13327
182: ok 13328
182: ok 13329
182: ok 13330
182: ok 13331
182: ok 13332
182: ok 13333
182: ok 13334
182: ok 13335
182: ok 13336
182: ok 13337
182: ok 13338
182: ok 13339
182: ok 13340
182: ok 13341
182: ok 13342
182: ok 13343
182: ok 13344
182: ok 13345
182: ok 13346
182: ok 13347
182: ok 13348
182: ok 13349
182: ok 13350
182: ok 13351
182: ok 13352
182: ok 13353
182: ok 13354
182: ok 13355
182: ok 13356
182: ok 13357
182: ok 13358
182: ok 13359
182: ok 13360
182: ok 13361
182: ok 13362
182: ok 13363
182: ok 13364
182: ok 13365
182: ok 13366
182: ok 13367
182: ok 13368
182: ok 13369
182: ok 13370
182: ok 13371
182: ok 13372
182: ok 13373
182: ok 13374
182: ok 13375
182: ok 13376
182: ok 13377
182: ok 13378
182: ok 13379
182: ok 13380
182: ok 13381
182: ok 13382
182: ok 13383
182: ok 13384
182: ok 13385
182: ok 13386
182: ok 13387
182: ok 13388
182: ok 13389
182: ok 13390
182: ok 13391
182: ok 13392
182: ok 13393
182: ok 13394
182: ok 13395
182: ok 13396
182: ok 13397
182: ok 13398
182: ok 13399
182: ok 13400
182: ok 13401
182: ok 13402
182: ok 13403
182: ok 13404
182: ok 13405
182: ok 13406
182: ok 13407
182: ok 13408
182: ok 13409
182: ok 13410
182: ok 13411
182: ok 13412
182: ok 13413
182: ok 13414
182: ok 13415
182: ok 13416
182: ok 13417
182: ok 13418
182: ok 13419
182: ok 13420
182: ok 13421
182: ok 13422
182: ok 13423
182: ok 13424
182: ok 13425
182: ok 13426
182: ok 13427
182: ok 13428
182: ok 13429
182: ok 13430
182: ok 13431
182: ok 13432
182: ok 13433
182: ok 13434
182: ok 13435
182: ok 13436
182: ok 13437
182: ok 13438
182: ok 13439
182: ok 13440
182: ok 13441
182: ok 13442
182: ok 13443
182: ok 13444
182: ok 13445
182: ok 13446
182: ok 13447
182: ok 13448
182: ok 13449
182: ok 13450
182: ok 13451
182: ok 13452
182: ok 13453
182: ok 13454
182: ok 13455
182: ok 13456
182: ok 13457
182: ok 13458
182: ok 13459
182: ok 13460
182: ok 13461
182: ok 13462
182: ok 13463
182: ok 13464
182: ok 13465
182: ok 13466
182: ok 13467
182: ok 13468
182: ok 13469
182: ok 13470
182: ok 13471
182: ok 13472
182: ok 13473
182: ok 13474
182: ok 13475
182: ok 13476
182: ok 13477
182: ok 13478
182: ok 13479
182: ok 13480
182: ok 13481
182: ok 13482
182: ok 13483
182: ok 13484
182: ok 13485
182: ok 13486
182: ok 13487
182: ok 13488
182: ok 13489
182: ok 13490
182: ok 13491
182: ok 13492
182: ok 13493
182: ok 13494
182: ok 13495
182: ok 13496
182: ok 13497
182: ok 13498
182: ok 13499
182: ok 13500
182: ok 13501
182: ok 13502
182: ok 13503
182: ok 13504
182: ok 13505
182: ok 13506
182: ok 13507
182: ok 13508
182: ok 13509
182: ok 13510
182: ok 13511
182: ok 13512
182: ok 13513
182: ok 13514
182: ok 13515
182: ok 13516
182: ok 13517
182: ok 13518
182: ok 13519
182: ok 13520
182: ok 13521
182: ok 13522
182: ok 13523
182: ok 13524
182: ok 13525
182: ok 13526
182: ok 13527
182: ok 13528
182: ok 13529
182: ok 13530
182: ok 13531
182: ok 13532
182: ok 13533
182: ok 13534
182: ok 13535
182: ok 13536
182: ok 13537
182: ok 13538
182: ok 13539
182: ok 13540
182: ok 13541
182: ok 13542
182: ok 13543
182: ok 13544
182: ok 13545
182: ok 13546
182: ok 13547
182: ok 13548
182: ok 13549
182: ok 13550
182: ok 13551
182: ok 13552
182: ok 13553
182: ok 13554
182: ok 13555
182: ok 13556
182: ok 13557
182: ok 13558
182: ok 13559
182: ok 13560
182: ok 13561
182: ok 13562
182: ok 13563
182: ok 13564
182: ok 13565
182: ok 13566
182: ok 13567
182: ok 13568
182: ok 13569
182: ok 13570
182: ok 13571
182: ok 13572
182: ok 13573
182: ok 13574
182: ok 13575
182: ok 13576
182: ok 13577
182: ok 13578
182: ok 13579
182: ok 13580
182: ok 13581
182: ok 13582
182: ok 13583
182: ok 13584
182: ok 13585
182: ok 13586
182: ok 13587
182: ok 13588
182: ok 13589
182: ok 13590
182: ok 13591
182: ok 13592
182: ok 13593
182: ok 13594
182: ok 13595
182: ok 13596
182: ok 13597
182: ok 13598
182: ok 13599
182: ok 13600
182: ok 13601
182: ok 13602
182: ok 13603
182: ok 13604
182: ok 13605
182: ok 13606
182: ok 13607
182: ok 13608
182: ok 13609
182: ok 13610
182: ok 13611
182: ok 13612
182: ok 13613
182: ok 13614
182: ok 13615
182: ok 13616
182: ok 13617
182: ok 13618
182: ok 13619
182: ok 13620
182: ok 13621
182: ok 13622
182: ok 13623
182: ok 13624
182: ok 13625
182: ok 13626
182: ok 13627
182: ok 13628
182: ok 13629
182: ok 13630
182: ok 13631
182: ok 13632
182: ok 13633
182: ok 13634
182: ok 13635
182: ok 13636
182: ok 13637
182: ok 13638
182: ok 13639
182: ok 13640
182: ok 13641
182: ok 13642
182: ok 13643
182: ok 13644
182: ok 13645
182: ok 13646
182: ok 13647
182: ok 13648
182: ok 13649
182: ok 13650
182: ok 13651
182: ok 13652
182: ok 13653
182: ok 13654
182: ok 13655
182: ok 13656
182: ok 13657
182: ok 13658
182: ok 13659
182: ok 13660
182: ok 13661
182: ok 13662
182: ok 13663
182: ok 13664
182: ok 13665
182: ok 13666
182: ok 13667
182: ok 13668
182: ok 13669
182: ok 13670
182: ok 13671
182: ok 13672
182: ok 13673
182: ok 13674
182: ok 13675
182: ok 13676
182: ok 13677
182: ok 13678
182: ok 13679
182: ok 13680
182: ok 13681
182: ok 13682
182: ok 13683
182: ok 13684
182: ok 13685
182: ok 13686
182: ok 13687
182: ok 13688
182: ok 13689
182: ok 13690
182: ok 13691
182: ok 13692
182: ok 13693
182: ok 13694
182: ok 13695
182: ok 13696
182: ok 13697
182: ok 13698
182: ok 13699
182: ok 13700
182: ok 13701
182: ok 13702
182: ok 13703
182: ok 13704
182: ok 13705
182: ok 13706
182: ok 13707
182: ok 13708
182: ok 13709
182: ok 13710
182: ok 13711
182: ok 13712
182: ok 13713
182: ok 13714
182: ok 13715
182: ok 13716
182: ok 13717
182: ok 13718
182: ok 13719
182: ok 13720
182: ok 13721
182: ok 13722
182: ok 13723
182: ok 13724
182: ok 13725
182: ok 13726
182: ok 13727
182: ok 13728
182: ok 13729
182: ok 13730
182: ok 13731
182: ok 13732
182: ok 13733
182: ok 13734
182: ok 13735
182: ok 13736
182: ok 13737
182: ok 13738
182: ok 13739
182: ok 13740
182: ok 13741
182: ok 13742
182: ok 13743
182: ok 13744
182: ok 13745
182: ok 13746
182: ok 13747
182: ok 13748
182: ok 13749
182: ok 13750
182: ok 13751
182: ok 13752
182: ok 13753
182: ok 13754
182: ok 13755
182: ok 13756
182: ok 13757
182: ok 13758
182: ok 13759
182: ok 13760
182: ok 13761
182: ok 13762
182: ok 13763
182: ok 13764
182: ok 13765
182: ok 13766
182: ok 13767
182: ok 13768
182: ok 13769
182: ok 13770
182: ok 13771
182: ok 13772
182: ok 13773
182: ok 13774
182: ok 13775
182: ok 13776
182: ok 13777
182: ok 13778
182: ok 13779
182: ok 13780
182: ok 13781
182: ok 13782
182: ok 13783
182: ok 13784
182: ok 13785
182: ok 13786
182: ok 13787
182: ok 13788
182: ok 13789
182: ok 13790
182: ok 13791
182: ok 13792
182: ok 13793
182: ok 13794
182: ok 13795
182: ok 13796
182: ok 13797
182: ok 13798
182: ok 13799
182: ok 13800
182: ok 13801
182: ok 13802
182: ok 13803
182: ok 13804
182: ok 13805
182: ok 13806
182: ok 13807
182: ok 13808
182: ok 13809
182: ok 13810
182: ok 13811
182: ok 13812
182: ok 13813
182: ok 13814
182: ok 13815
182: ok 13816
182: ok 13817
182: ok 13818
182: ok 13819
182: ok 13820
182: ok 13821
182: ok 13822
182: ok 13823
182: ok 13824
182: ok 13825
182: ok 13826
182: ok 13827
182: ok 13828
182: ok 13829
182: ok 13830
182: ok 13831
182: ok 13832
182: ok 13833
182: ok 13834
182: ok 13835
182: ok 13836
182: ok 13837
182: ok 13838
182: ok 13839
182: ok 13840
182: ok 13841
182: ok 13842
182: ok 13843
182: ok 13844
182: ok 13845
182: ok 13846
182: ok 13847
182: ok 13848
182: ok 13849
182: ok 13850
182: ok 13851
182: ok 13852
182: ok 13853
182: ok 13854
182: ok 13855
182: ok 13856
182: ok 13857
182: ok 13858
182: ok 13859
182: ok 13860
182: ok 13861
182: ok 13862
182: ok 13863
182: ok 13864
182: ok 13865
182: ok 13866
182: ok 13867
182: ok 13868
182: ok 13869
182: ok 13870
182: ok 13871
182: ok 13872
182: ok 13873
182: ok 13874
182: ok 13875
182: ok 13876
182: ok 13877
182: ok 13878
182: ok 13879
182: ok 13880
182: ok 13881
182: ok 13882
182: ok 13883
182: ok 13884
182: ok 13885
182: ok 13886
182: ok 13887
182: ok 13888
182: ok 13889
182: ok 13890
182: ok 13891
182: ok 13892
182: ok 13893
182: ok 13894
182: ok 13895
182: ok 13896
182: ok 13897
182: ok 13898
182: ok 13899
182: ok 13900
182: ok 13901
182: ok 13902
182: ok 13903
182: ok 13904
182: ok 13905
182: ok 13906
182: ok 13907
182: ok 13908
182: ok 13909
182: ok 13910
182: ok 13911
182: ok 13912
182: ok 13913
182: ok 13914
182: ok 13915
182: ok 13916
182: ok 13917
182: ok 13918
182: ok 13919
182: ok 13920
182: ok 13921
182: ok 13922
182: ok 13923
182: ok 13924
182: ok 13925
182: ok 13926
182: ok 13927
182: ok 13928
182: ok 13929
182: ok 13930
182: ok 13931
182: ok 13932
182: ok 13933
182: ok 13934
182: ok 13935
182: ok 13936
182: ok 13937
182: ok 13938
182: ok 13939
182: ok 13940
182: ok 13941
182: ok 13942
182: ok 13943
182: ok 13944
182: ok 13945
182: ok 13946
182: ok 13947
182: ok 13948
182: ok 13949
182: ok 13950
182: ok 13951
182: ok 13952
182: ok 13953
182: ok 13954
182: ok 13955
182: ok 13956
182: ok 13957
182: ok 13958
182: ok 13959
182: ok 13960
182: ok 13961
182: ok 13962
182: ok 13963
182: ok 13964
182: ok 13965
182: ok 13966
182: ok 13967
182: ok 13968
182: ok 13969
182: ok 13970
182: ok 13971
182: ok 13972
182: ok 13973
182: ok 13974
182: ok 13975
182: ok 13976
182: ok 13977
182: ok 13978
182: ok 13979
182: ok 13980
182: ok 13981
182: ok 13982
182: ok 13983
182: ok 13984
182: ok 13985
182: ok 13986
182: ok 13987
182: ok 13988
182: ok 13989
182: ok 13990
182: ok 13991
182: ok 13992
182: ok 13993
182: ok 13994
182: ok 13995
182: ok 13996
182: ok 13997
182: ok 13998
182: ok 13999
182: ok 14000
182: ok 14001
182: ok 14002
182: ok 14003
182: ok 14004
182: ok 14005
182: ok 14006
182: ok 14007
182: ok 14008
182: ok 14009
182: ok 14010
182: ok 14011
182: ok 14012
182: ok 14013
182: ok 14014
182: ok 14015
182: ok 14016
182: ok 14017
182: ok 14018
182: ok 14019
182: ok 14020
182: ok 14021
182: ok 14022
182: ok 14023
182: ok 14024
182: ok 14025
182: ok 14026
182: ok 14027
182: ok 14028
182: ok 14029
182: ok 14030
182: ok 14031
182: ok 14032
182: ok 14033
182: ok 14034
182: ok 14035
182: ok 14036
182: ok 14037
182: ok 14038
182: ok 14039
182: ok 14040
182: ok 14041
182: ok 14042
182: ok 14043
182: ok 14044
182: ok 14045
182: ok 14046
182: ok 14047
182: ok 14048
182: ok 14049
182: ok 14050
182: ok 14051
182: ok 14052
182: ok 14053
182: ok 14054
182: ok 14055
182: ok 14056
182: ok 14057
182: ok 14058
182: ok 14059
182: ok 14060
182: ok 14061
182: ok 14062
182: ok 14063
182: ok 14064
182: ok 14065
182: ok 14066
182: ok 14067
182: ok 14068
182: ok 14069
182: ok 14070
182: ok 14071
182: ok 14072
182: ok 14073
182: ok 14074
182: ok 14075
182: ok 14076
182: ok 14077
182: ok 14078
182: ok 14079
182: ok 14080
182: ok 14081
182: ok 14082
182: ok 14083
182: ok 14084
182: ok 14085
182: ok 14086
182: ok 14087
182: ok 14088
182: ok 14089
182: ok 14090
182: ok 14091
182: ok 14092
182: ok 14093
182: ok 14094
182: ok 14095
182: ok 14096
182: ok 14097
182: ok 14098
182: ok 14099
182: ok 14100
182: ok 14101
182: ok 14102
182: ok 14103
182: ok 14104
182: ok 14105
182: ok 14106
182: ok 14107
182: ok 14108
182: ok 14109
182: ok 14110
182: ok 14111
182: ok 14112
182: ok 14113
182: ok 14114
182: ok 14115
182: ok 14116
182: ok 14117
182: ok 14118
182: ok 14119
182: ok 14120
182: ok 14121
182: ok 14122
182: ok 14123
182: ok 14124
182: ok 14125
182: ok 14126
182: ok 14127
182: ok 14128
182: ok 14129
182: ok 14130
182: ok 14131
182: ok 14132
182: ok 14133
182: ok 14134
182: ok 14135
182: ok 14136
182: ok 14137
182: ok 14138
182: ok 14139
182: ok 14140
182: ok 14141
182: ok 14142
182: ok 14143
182: ok 14144
182: ok 14145
182: ok 14146
182: ok 14147
182: ok 14148
182: ok 14149
182: ok 14150
182: ok 14151
182: ok 14152
182: ok 14153
182: ok 14154
182: ok 14155
182: ok 14156
182: ok 14157
182: ok 14158
182: ok 14159
182: ok 14160
182: ok 14161
182: ok 14162
182: ok 14163
182: ok 14164
182: ok 14165
182: ok 14166
182: ok 14167
182: ok 14168
182: ok 14169
182: ok 14170
182: ok 14171
182: ok 14172
182: ok 14173
182: ok 14174
182: ok 14175
182: ok 14176
182: ok 14177
182: ok 14178
182: ok 14179
182: ok 14180
182: ok 14181
182: ok 14182
182: ok 14183
182: ok 14184
182: ok 14185
182: ok 14186
182: ok 14187
182: ok 14188
182: ok 14189
182: ok 14190
182: ok 14191
182: ok 14192
182: ok 14193
182: ok 14194
182: ok 14195
182: ok 14196
182: ok 14197
182: ok 14198
182: ok 14199
182: ok 14200
182: ok 14201
182: ok 14202
182: ok 14203
182: ok 14204
182: ok 14205
182: ok 14206
182: ok 14207
182: ok 14208
182: ok 14209
182: ok 14210
182: ok 14211
182: ok 14212
182: ok 14213
182: ok 14214
182: ok 14215
182: ok 14216
182: ok 14217
182: ok 14218
182: ok 14219
182: ok 14220
182: ok 14221
182: ok 14222
182: ok 14223
182: ok 14224
182: ok 14225
182: ok 14226
182: ok 14227
182: ok 14228
182: ok 14229
182: ok 14230
182: ok 14231
182: ok 14232
182: ok 14233
182: ok 14234
182: ok 14235
182: ok 14236
182: ok 14237
182: ok 14238
182: ok 14239
182: ok 14240
182: ok 14241
182: ok 14242
182: ok 14243
182: ok 14244
182: ok 14245
182: ok 14246
182: ok 14247
182: ok 14248
182: ok 14249
182: ok 14250
182: ok 14251
182: ok 14252
182: ok 14253
182: ok 14254
182: ok 14255
182: ok 14256
182: ok 14257
182: ok 14258
182: ok 14259
182: ok 14260
182: ok 14261
182: ok 14262
182: ok 14263
182: ok 14264
182: ok 14265
182: ok 14266
182: ok 14267
182: ok 14268
182: ok 14269
182: ok 14270
182: ok 14271
182: ok 14272
182: ok 14273
182: ok 14274
182: ok 14275
182: ok 14276
182: ok 14277
182: ok 14278
182: ok 14279
182: ok 14280
182: ok 14281
182: ok 14282
182: ok 14283
182: ok 14284
182: ok 14285
182: ok 14286
182: ok 14287
182: ok 14288
182: ok 14289
182: ok 14290
182: ok 14291
182: ok 14292
182: ok 14293
182: ok 14294
182: ok 14295
182: ok 14296
182: ok 14297
182: ok 14298
182: ok 14299
182: ok 14300
182: ok 14301
182: ok 14302
182: ok 14303
182: ok 14304
182: ok 14305
182: ok 14306
182: ok 14307
182: ok 14308
182: ok 14309
182: ok 14310
182: ok 14311
182: ok 14312
182: ok 14313
182: ok 14314
182: ok 14315
182: ok 14316
182: ok 14317
182: ok 14318
182: ok 14319
182: ok 14320
182: ok 14321
182: ok 14322
182: ok 14323
182: ok 14324
182: ok 14325
182: ok 14326
182: ok 14327
182: ok 14328
182: ok 14329
182: ok 14330
182: ok 14331
182: ok 14332
182: ok 14333
182: ok 14334
182: ok 14335
182: ok 14336
182: ok 14337
182: ok 14338
182: ok 14339
182: ok 14340
182: ok 14341
182: ok 14342
182: ok 14343
182: ok 14344
182: ok 14345
182: ok 14346
182: ok 14347
182: ok 14348
182: ok 14349
182: ok 14350
182: ok 14351
182: ok 14352
182: ok 14353
182: ok 14354
182: ok 14355
182: ok 14356
182: ok 14357
182: ok 14358
182: ok 14359
182: ok 14360
182: ok 14361
182: ok 14362
182: ok 14363
182: ok 14364
182: ok 14365
182: ok 14366
182: ok 14367
182: ok 14368
182: ok 14369
182: ok 14370
182: ok 14371
182: ok 14372
182: ok 14373
182: ok 14374
182: ok 14375
182: ok 14376
182: ok 14377
182: ok 14378
182: ok 14379
182: ok 14380
182: ok 14381
182: ok 14382
182: ok 14383
182: ok 14384
182: ok 14385
182: ok 14386
182: ok 14387
182: ok 14388
182: ok 14389
182: ok 14390
182: ok 14391
182: ok 14392
182: ok 14393
182: ok 14394
182: ok 14395
182: ok 14396
182: ok 14397
182: ok 14398
182: ok 14399
182: ok 14400
182: ok 14401
182: ok 14402
182: ok 14403
182: ok 14404
182: ok 14405
182: ok 14406
182: ok 14407
182: ok 14408
182: ok 14409
182: ok 14410
182: ok 14411
182: ok 14412
182: ok 14413
182: ok 14414
182: ok 14415
182: ok 14416
182: ok 14417
182: ok 14418
182: ok 14419
182: ok 14420
182: ok 14421
182: ok 14422
182: ok 14423
182: ok 14424
182: ok 14425
182: ok 14426
182: ok 14427
182: ok 14428
182: ok 14429
182: ok 14430
182: ok 14431
182: ok 14432
182: ok 14433
182: ok 14434
182: ok 14435
182: ok 14436
182: ok 14437
182: ok 14438
182: ok 14439
182: ok 14440
182: ok 14441
182: ok 14442
182: ok 14443
182: ok 14444
182: ok 14445
182: ok 14446
182: ok 14447
182: ok 14448
182: ok 14449
182: ok 14450
182: ok 14451
182: ok 14452
182: ok 14453
182: ok 14454
182: ok 14455
182: ok 14456
182: ok 14457
182: ok 14458
182: ok 14459
182: ok 14460
182: ok 14461
182: ok 14462
182: ok 14463
182: ok 14464
182: ok 14465
182: ok 14466
182: ok 14467
182: ok 14468
182: ok 14469
182: ok 14470
182: ok 14471
182: ok 14472
182: ok 14473
182: ok 14474
182: ok 14475
182: ok 14476
182: ok 14477
182: ok 14478
182: ok 14479
182: ok 14480
182: ok 14481
182: ok 14482
182: ok 14483
182: ok 14484
182: ok 14485
182: ok 14486
182: ok 14487
182: ok 14488
182: ok 14489
182: ok 14490
182: ok 14491
182: ok 14492
182: ok 14493
182: ok 14494
182: ok 14495
182: ok 14496
182: ok 14497
182: ok 14498
182: ok 14499
182: ok 14500
182: ok 14501
182: ok 14502
182: ok 14503
182: ok 14504
182: ok 14505
182: ok 14506
182: ok 14507
182: ok 14508
182: ok 14509
182: ok 14510
182: ok 14511
182: ok 14512
182: ok 14513
182: ok 14514
182: ok 14515
182: ok 14516
182: ok 14517
182: ok 14518
182: ok 14519
182: ok 14520
182: ok 14521
182: ok 14522
182: ok 14523
182: ok 14524
182: ok 14525
182: ok 14526
182: ok 14527
182: ok 14528
182: ok 14529
182: ok 14530
182: ok 14531
182: ok 14532
182: ok 14533
182: ok 14534
182: ok 14535
182: ok 14536
182: ok 14537
182: ok 14538
182: ok 14539
182: ok 14540
182: ok 14541
182: ok 14542
182: ok 14543
182: ok 14544
182: ok 14545
182: ok 14546
182: ok 14547
182: ok 14548
182: ok 14549
182: ok 14550
182: ok 14551
182: ok 14552
182: ok 14553
182: ok 14554
182: ok 14555
182: ok 14556
182: ok 14557
182: ok 14558
182: ok 14559
182: ok 14560
182: ok 14561
182: ok 14562
182: ok 14563
182: ok 14564
182: ok 14565
182: ok 14566
182: ok 14567
182: ok 14568
182: ok 14569
182: ok 14570
182: ok 14571
182: ok 14572
182: ok 14573
182: ok 14574
182: ok 14575
182: ok 14576
182: ok 14577
182: ok 14578
182: ok 14579
182: ok 14580
182: ok 14581
182: ok 14582
182: ok 14583
182: ok 14584
182: ok 14585
182: ok 14586
182: ok 14587
182: ok 14588
182: ok 14589
182: ok 14590
182: ok 14591
182: ok 14592
182: ok 14593
182: ok 14594
182: ok 14595
182: ok 14596
182: ok 14597
182: ok 14598
182: ok 14599
182: ok 14600
182: ok 14601
182: ok 14602
182: ok 14603
182: ok 14604
182: ok 14605
182: ok 14606
182: ok 14607
182: ok 14608
182: ok 14609
182: ok 14610
182: ok 14611
182: ok 14612
182: ok 14613
182: ok 14614
182: ok 14615
182: ok 14616
182: ok 14617
182: ok 14618
182: ok 14619
182: ok 14620
182: ok 14621
182: ok 14622
182: ok 14623
182: ok 14624
182: ok 14625
182: ok 14626
182: ok 14627
182: ok 14628
182: ok 14629
182: ok 14630
182: ok 14631
182: ok 14632
182: ok 14633
182: ok 14634
182: ok 14635
182: ok 14636
182: ok 14637
182: ok 14638
182: ok 14639
182: ok 14640
182: ok 14641
182: ok 14642
182: ok 14643
182: ok 14644
182: ok 14645
182: ok 14646
182: ok 14647
182: ok 14648
182: ok 14649
182: ok 14650
182: ok 14651
182: ok 14652
182: ok 14653
182: ok 14654
182: ok 14655
182: ok 14656
182: ok 14657
182: ok 14658
182: ok 14659
182: ok 14660
182: ok 14661
182: ok 14662
182: ok 14663
182: ok 14664
182: ok 14665
182: ok 14666
182: ok 14667
182: ok 14668
182: ok 14669
182: ok 14670
182: ok 14671
182: ok 14672
182: ok 14673
182: ok 14674
182: ok 14675
182: ok 14676
182: ok 14677
182: ok 14678
182: ok 14679
182: ok 14680
182: ok 14681
182: ok 14682
182: ok 14683
182: ok 14684
182: ok 14685
182: ok 14686
182: ok 14687
182: ok 14688
182: ok 14689
182: ok 14690
182: ok 14691
182: ok 14692
182: ok 14693
182: ok 14694
182: ok 14695
182: ok 14696
182: ok 14697
182: ok 14698
182: ok 14699
182: ok 14700
182: ok 14701
182: ok 14702
182: ok 14703
182: ok 14704
182: ok 14705
182: ok 14706
182: ok 14707
182: ok 14708
182: ok 14709
182: ok 14710
182: ok 14711
182: ok 14712
182: ok 14713
182: ok 14714
182: ok 14715
182: ok 14716
182: ok 14717
182: ok 14718
182: ok 14719
182: ok 14720
182: ok 14721
182: ok 14722
182: ok 14723
182: ok 14724
182: ok 14725
182: ok 14726
182: ok 14727
182: ok 14728
182: ok 14729
182: ok 14730
182: ok 14731
182: ok 14732
182: ok 14733
182: ok 14734
182: ok 14735
182: ok 14736
182: ok 14737
182: ok 14738
182: ok 14739
182: ok 14740
182: ok 14741
182: ok 14742
182: ok 14743
182: ok 14744
182: ok 14745
182: ok 14746
182: ok 14747
182: ok 14748
182: ok 14749
182: ok 14750
182: ok 14751
182: ok 14752
182: ok 14753
182: ok 14754
182: ok 14755
182: ok 14756
182: ok 14757
182: ok 14758
182: ok 14759
182: ok 14760
182: ok 14761
182: ok 14762
182: ok 14763
182: ok 14764
182: ok 14765
182: ok 14766
182: ok 14767
182: ok 14768
182: ok 14769
182: ok 14770
182: ok 14771
182: ok 14772
182: ok 14773
182: ok 14774
182: ok 14775
182: ok 14776
182: ok 14777
182: ok 14778
182: ok 14779
182: ok 14780
182: ok 14781
182: ok 14782
182: ok 14783
182: ok 14784
182: ok 14785
182: ok 14786
182: ok 14787
182: ok 14788
182: ok 14789
182: ok 14790
182: ok 14791
182: ok 14792
182: ok 14793
182: ok 14794
182: ok 14795
182: ok 14796
182: ok 14797
182: ok 14798
182: ok 14799
182: ok 14800
182: ok 14801
182: ok 14802
182: ok 14803
182: ok 14804
182: ok 14805
182: ok 14806
182: ok 14807
182: ok 14808
182: ok 14809
182: ok 14810
182: ok 14811
182: ok 14812
182: ok 14813
182: ok 14814
182: ok 14815
182: ok 14816
182: ok 14817
182: ok 14818
182: ok 14819
182: ok 14820
182: ok 14821
182: ok 14822
182: ok 14823
182: ok 14824
182: ok 14825
182: ok 14826
182: ok 14827
182: ok 14828
182: ok 14829
182: ok 14830
182: ok 14831
182: ok 14832
182: ok 14833
182: ok 14834
182: ok 14835
182: ok 14836
182: ok 14837
182: ok 14838
182: ok 14839
182: ok 14840
182: ok 14841
182: ok 14842
182: ok 14843
182: ok 14844
182: ok 14845
182: ok 14846
182: ok 14847
182: ok 14848
182: ok 14849
182: ok 14850
182: ok 14851
182: ok 14852
182: ok 14853
182: ok 14854
182: ok 14855
182: ok 14856
182: ok 14857
182: ok 14858
182: ok 14859
182: ok 14860
182: ok 14861
182: ok 14862
182: ok 14863
182: ok 14864
182: ok 14865
182: ok 14866
182: ok 14867
182: ok 14868
182: ok 14869
182: ok 14870
182: ok 14871
182: ok 14872
182: ok 14873
182: ok 14874
182: ok 14875
182: ok 14876
182: ok 14877
182: ok 14878
182: ok 14879
182: ok 14880
182: ok 14881
182: ok 14882
182: ok 14883
182: ok 14884
182: ok 14885
182: ok 14886
182: ok 14887
182: ok 14888
182: ok 14889
182: ok 14890
182: ok 14891
182: ok 14892
182: ok 14893
182: ok 14894
182: ok 14895
182: ok 14896
182: ok 14897
182: ok 14898
182: ok 14899
182: ok 14900
182: ok 14901
182: ok 14902
182: ok 14903
182: ok 14904
182: ok 14905
182: ok 14906
182: ok 14907
182: ok 14908
182: ok 14909
182: ok 14910
182: ok 14911
182: ok 14912
182: ok 14913
182: ok 14914
182: ok 14915
182: ok 14916
182: ok 14917
182: ok 14918
182: ok 14919
182: ok 14920
182: ok 14921
182: ok 14922
182: ok 14923
182: ok 14924
182: ok 14925
182: ok 14926
182: ok 14927
182: ok 14928
182: ok 14929
182: ok 14930
182: ok 14931
182: ok 14932
182: ok 14933
182: ok 14934
182: ok 14935
182: ok 14936
182: ok 14937
182: ok 14938
182: ok 14939
182: ok 14940
182: ok 14941
182: ok 14942
182: ok 14943
182: ok 14944
182: ok 14945
182: ok 14946
182: ok 14947
182: ok 14948
182: ok 14949
182: ok 14950
182: ok 14951
182: ok 14952
182: ok 14953
182: ok 14954
182: ok 14955
182: ok 14956
182: ok 14957
182: ok 14958
182: ok 14959
182: ok 14960
182: ok 14961
182: ok 14962
182: ok 14963
182: ok 14964
182: ok 14965
182: ok 14966
182: ok 14967
182: ok 14968
182: ok 14969
182: ok 14970
182: ok 14971
182: ok 14972
182: ok 14973
182: ok 14974
182: ok 14975
182: ok 14976
182: ok 14977
182: ok 14978
182: ok 14979
182: ok 14980
182: ok 14981
182: ok 14982
182: ok 14983
182: ok 14984
182: ok 14985
182: ok 14986
182: ok 14987
182: ok 14988
182: ok 14989
182: ok 14990
182: ok 14991
182: ok 14992
182: ok 14993
182: ok 14994
182: ok 14995
182: ok 14996
182: ok 14997
182: ok 14998
182: ok 14999
182: ok 15000
182: ok 15001
182: ok 15002
182: ok 15003
182: ok 15004
182: ok 15005
182: ok 15006
182: ok 15007
182: ok 15008
182: ok 15009
182: ok 15010
182: ok 15011
182: ok 15012
182: ok 15013
182: ok 15014
182: ok 15015
182: ok 15016
182: ok 15017
182: ok 15018
182: ok 15019
182: ok 15020
182: ok 15021
182: ok 15022
182: ok 15023
182: ok 15024
182: ok 15025
182: ok 15026
182: ok 15027
182: ok 15028
182: ok 15029
182: ok 15030
182: ok 15031
182: ok 15032
182: ok 15033
182: ok 15034
182: ok 15035
182: ok 15036
182: ok 15037
182: ok 15038
182: ok 15039
182: ok 15040
182: ok 15041
182: ok 15042
182: ok 15043
182: ok 15044
182: ok 15045
182: ok 15046
182: ok 15047
182: ok 15048
182: ok 15049
182: ok 15050
182: ok 15051
182: ok 15052
182: ok 15053
182: ok 15054
182: ok 15055
182: ok 15056
182: ok 15057
182: ok 15058
182: ok 15059
182: ok 15060
182: ok 15061
182: ok 15062
182: ok 15063
182: ok 15064
182: ok 15065
182: ok 15066
182: ok 15067
182: ok 15068
182: ok 15069
182: ok 15070
182: ok 15071
182: ok 15072
182: ok 15073
182: ok 15074
182: ok 15075
182: ok 15076
182: ok 15077
182: ok 15078
182: ok 15079
182: ok 15080
182: ok 15081
182: ok 15082
182: ok 15083
182: ok 15084
182: ok 15085
182: ok 15086
182: ok 15087
182: ok 15088
182: ok 15089
182: ok 15090
182: ok 15091
182: ok 15092
182: ok 15093
182: ok 15094
182: ok 15095
182: ok 15096
182: ok 15097
182: ok 15098
182: ok 15099
182: ok 15100
182: ok 15101
182: ok 15102
182: ok 15103
182: ok 15104
182: ok 15105
182: ok 15106
182: ok 15107
182: ok 15108
182: ok 15109
182: ok 15110
182: ok 15111
182: ok 15112
182: ok 15113
182: ok 15114
182: ok 15115
182: ok 15116
182: ok 15117
182: ok 15118
182: ok 15119
182: ok 15120
182: ok 15121
182: ok 15122
182: ok 15123
182: ok 15124
182: ok 15125
182: ok 15126
182: ok 15127
182: ok 15128
182: ok 15129
182: ok 15130
182: ok 15131
182: ok 15132
182: ok 15133
182: ok 15134
182: ok 15135
182: ok 15136
182: ok 15137
182: ok 15138
182: ok 15139
182: ok 15140
182: ok 15141
182: ok 15142
182: ok 15143
182: ok 15144
182: ok 15145
182: ok 15146
182: ok 15147
182: ok 15148
182: ok 15149
182: ok 15150
182: ok 15151
182: ok 15152
182: ok 15153
182: ok 15154
182: ok 15155
182: ok 15156
182: ok 15157
182: ok 15158
182: ok 15159
182: ok 15160
182: ok 15161
182: ok 15162
182: ok 15163
182: ok 15164
182: ok 15165
182: ok 15166
182: ok 15167
182: ok 15168
182: ok 15169
182: ok 15170
182: ok 15171
182: ok 15172
182: ok 15173
182: ok 15174
182: ok 15175
182: ok 15176
182: ok 15177
182: ok 15178
182: ok 15179
182: ok 15180
182: ok 15181
182: ok 15182
182: ok 15183
182: ok 15184
182: ok 15185
182: ok 15186
182: ok 15187
182: ok 15188
182: ok 15189
182: ok 15190
182: ok 15191
182: ok 15192
182: ok 15193
182: ok 15194
182: ok 15195
182: ok 15196
182: ok 15197
182: ok 15198
182: ok 15199
182: ok 15200
182: ok 15201
182: ok 15202
182: ok 15203
182: ok 15204
182: ok 15205
182: ok 15206
182: ok 15207
182: ok 15208
182: ok 15209
182: ok 15210
182: ok 15211
182: ok 15212
182: ok 15213
182: ok 15214
182: ok 15215
182: ok 15216
182: ok 15217
182: ok 15218
182: ok 15219
182: ok 15220
182: ok 15221
182: ok 15222
182: ok 15223
182: ok 15224
182: ok 15225
182: ok 15226
182: ok 15227
182: ok 15228
182: ok 15229
182: ok 15230
182: ok 15231
182: ok 15232
182: ok 15233
182: ok 15234
182: ok 15235
182: ok 15236
182: ok 15237
182: ok 15238
182: ok 15239
182: ok 15240
182: ok 15241
182: ok 15242
182: ok 15243
182: ok 15244
182: ok 15245
182: ok 15246
182: ok 15247
182: ok 15248
182: ok 15249
182: ok 15250
182: ok 15251
182: ok 15252
182: ok 15253
182: ok 15254
182: ok 15255
182: ok 15256
182: ok 15257
182: ok 15258
182: ok 15259
182: ok 15260
182: ok 15261
182: ok 15262
182: ok 15263
182: ok 15264
182: ok 15265
182: ok 15266
182: ok 15267
182: ok 15268
182: ok 15269
182: ok 15270
182: ok 15271
182: ok 15272
182: ok 15273
182: ok 15274
182: ok 15275
182: ok 15276
182: ok 15277
182: ok 15278
182: ok 15279
182: ok 15280
182: ok 15281
182: ok 15282
182: ok 15283
182: ok 15284
182: ok 15285
182: ok 15286
182: ok 15287
182: ok 15288
182: ok 15289
182: ok 15290
182: ok 15291
182: ok 15292
182: ok 15293
182: ok 15294
182: ok 15295
182: ok 15296
182: ok 15297
182: ok 15298
182: ok 15299
182: ok 15300
182: ok 15301
182: ok 15302
182: ok 15303
182: ok 15304
182: ok 15305
182: ok 15306
182: ok 15307
182: ok 15308
182: ok 15309
182: ok 15310
182: ok 15311
182: ok 15312
182: ok 15313
182: ok 15314
182: ok 15315
182: ok 15316
182: ok 15317
182: ok 15318
182: ok 15319
182: ok 15320
182: ok 15321
182: ok 15322
182: ok 15323
182: ok 15324
182: ok 15325
182: ok 15326
182: ok 15327
182: ok 15328
182: ok 15329
182: ok 15330
182: ok 15331
182: ok 15332
182: ok 15333
182: ok 15334
182: ok 15335
182: ok 15336
182: ok 15337
182: ok 15338
182: ok 15339
182: ok 15340
182: ok 15341
182: ok 15342
182: ok 15343
182: ok 15344
182: ok 15345
182: ok 15346
182: ok 15347
182: ok 15348
182: ok 15349
182: ok 15350
182: ok 15351
182: ok 15352
182: ok 15353
182: ok 15354
182: ok 15355
182: ok 15356
182: ok 15357
182: ok 15358
182: ok 15359
182: ok 15360
182: ok 15361
182: ok 15362
182: ok 15363
182: ok 15364
182: ok 15365
182: ok 15366
182: ok 15367
182: ok 15368
182: ok 15369
182: ok 15370
182: ok 15371
182: ok 15372
182: ok 15373
182: ok 15374
182: ok 15375
182: ok 15376
182: ok 15377
182: ok 15378
182: ok 15379
182: ok 15380
182: ok 15381
182: ok 15382
182: ok 15383
182: ok 15384
182: ok 15385
182: ok 15386
182: ok 15387
182: ok 15388
182: ok 15389
182: ok 15390
182: ok 15391
182: ok 15392
182: ok 15393
182: ok 15394
182: ok 15395
182: ok 15396
182: ok 15397
182: ok 15398
182: ok 15399
182: ok 15400
182: ok 15401
182: ok 15402
182: ok 15403
182: ok 15404
182: ok 15405
182: ok 15406
182: ok 15407
182: ok 15408
182: ok 15409
182: ok 15410
182: ok 15411
182: ok 15412
182: ok 15413
182: ok 15414
182: ok 15415
182: ok 15416
182: ok 15417
182: ok 15418
182: ok 15419
182: ok 15420
182: ok 15421
182: ok 15422
182: ok 15423
182: ok 15424
182: ok 15425
182: ok 15426
182: ok 15427
182: ok 15428
182: ok 15429
182: ok 15430
182: ok 15431
182: ok 15432
182: ok 15433
182: ok 15434
182: ok 15435
182: ok 15436
182: ok 15437
182: ok 15438
182: ok 15439
182: ok 15440
182: ok 15441
182: ok 15442
182: ok 15443
182: ok 15444
182: ok 15445
182: ok 15446
182: ok 15447
182: ok 15448
182: ok 15449
182: ok 15450
182: ok 15451
182: ok 15452
182: ok 15453
182: ok 15454
182: ok 15455
182: ok 15456
182: ok 15457
182: ok 15458
182: ok 15459
182: ok 15460
182: ok 15461
182: ok 15462
182: ok 15463
182: ok 15464
182: ok 15465
182: ok 15466
182: ok 15467
182: ok 15468
182: ok 15469
182: ok 15470
182: ok 15471
182: ok 15472
182: ok 15473
182: ok 15474
182: ok 15475
182: ok 15476
182: ok 15477
182: ok 15478
182: ok 15479
182: ok 15480
182: ok 15481
182: ok 15482
182: ok 15483
182: ok 15484
182: ok 15485
182: ok 15486
182: ok 15487
182: ok 15488
182: ok 15489
182: ok 15490
182: ok 15491
182: ok 15492
182: ok 15493
182: ok 15494
182: ok 15495
182: ok 15496
182: ok 15497
182: ok 15498
182: ok 15499
182: ok 15500
182: ok 15501
182: ok 15502
182: ok 15503
182: ok 15504
182: ok 15505
182: ok 15506
182: ok 15507
182: ok 15508
182: ok 15509
182: ok 15510
182: ok 15511
182: ok 15512
182: ok 15513
182: ok 15514
182: ok 15515
182: ok 15516
182: ok 15517
182: ok 15518
182: ok 15519
182: ok 15520
182: ok 15521
182: ok 15522
182: ok 15523
182: ok 15524
182: ok 15525
182: ok 15526
182: ok 15527
182: ok 15528
182: ok 15529
182: ok 15530
182: ok 15531
182: ok 15532
182: ok 15533
182: ok 15534
182: ok 15535
182: ok 15536
182: ok 15537
182: ok 15538
182: ok 15539
182: ok 15540
182: ok 15541
182: ok 15542
182: ok 15543
182: ok 15544
182: ok 15545
182: ok 15546
182: ok 15547
182: ok 15548
182: ok 15549
182: ok 15550
182: ok 15551
182: ok 15552
182: ok 15553
182: ok 15554
182: ok 15555
182: ok 15556
182: ok 15557
182: ok 15558
182: ok 15559
182: ok 15560
182: ok 15561
182: ok 15562
182: ok 15563
182: ok 15564
182: ok 15565
182: ok 15566
182: ok 15567
182: ok 15568
182: ok 15569
182: ok 15570
182: ok 15571
182: ok 15572
182: ok 15573
182: ok 15574
182: ok 15575
182: ok 15576
182: ok 15577
182: ok 15578
182: ok 15579
182: ok 15580
182: ok 15581
182: ok 15582
182: ok 15583
182: ok 15584
182: ok 15585
182: ok 15586
182: ok 15587
182: ok 15588
182: ok 15589
182: ok 15590
182: ok 15591
182: ok 15592
182: ok 15593
182: ok 15594
182: ok 15595
182: ok 15596
182: ok 15597
182: ok 15598
182: ok 15599
182: ok 15600
182: ok 15601
182: ok 15602
182: ok 15603
182: ok 15604
182: ok 15605
182: ok 15606
182: ok 15607
182: ok 15608
182: ok 15609
182: ok 15610
182: ok 15611
182: ok 15612
182: ok 15613
182: ok 15614
182: ok 15615
182: ok 15616
182: ok 15617
182: ok 15618
182: ok 15619
182: ok 15620
182: ok 15621
182: ok 15622
182: ok 15623
182: ok 15624
182: ok 15625
182: ok 15626
182: ok 15627
182: ok 15628
182: ok 15629
182: ok 15630
182: ok 15631
182: ok 15632
182: ok 15633
182: ok 15634
182: ok 15635
182: ok 15636
182: ok 15637
182: ok 15638
182: ok 15639
182: ok 15640
182: ok 15641
182: ok 15642
182: ok 15643
182: ok 15644
182: ok 15645
182: ok 15646
182: ok 15647
182: ok 15648
182: ok 15649
182: ok 15650
182: ok 15651
182: ok 15652
182: ok 15653
182: ok 15654
182: ok 15655
182: ok 15656
182: ok 15657
182: ok 15658
182: ok 15659
182: ok 15660
182: ok 15661
182: ok 15662
182: ok 15663
182: ok 15664
182: ok 15665
182: ok 15666
182: ok 15667
182: ok 15668
182: ok 15669
182: ok 15670
182: ok 15671
182: ok 15672
182: ok 15673
182: ok 15674
182: ok 15675
182: ok 15676
182: ok 15677
182: ok 15678
182: ok 15679
182: ok 15680
182: ok 15681
182: ok 15682
182: ok 15683
182: ok 15684
182: ok 15685
182: ok 15686
182: ok 15687
182: ok 15688
182: ok 15689
182: ok 15690
182: ok 15691
182: ok 15692
182: ok 15693
182: ok 15694
182: ok 15695
182: ok 15696
182: ok 15697
182: ok 15698
182: ok 15699
182: ok 15700
182: ok 15701
182: ok 15702
182: ok 15703
182: ok 15704
182: ok 15705
182: ok 15706
182: ok 15707
182: ok 15708
182: ok 15709
182: ok 15710
182: ok 15711
182: ok 15712
182: ok 15713
182: ok 15714
182: ok 15715
182: ok 15716
182: ok 15717
182: ok 15718
182: ok 15719
182: ok 15720
182: ok 15721
182: ok 15722
182: ok 15723
182: ok 15724
182: ok 15725
182: ok 15726
182: ok 15727
182: ok 15728
182: ok 15729
182: ok 15730
182: ok 15731
182: ok 15732
182: ok 15733
182: ok 15734
182: ok 15735
182: ok 15736
182: ok 15737
182: ok 15738
182: ok 15739
182: ok 15740
182: ok 15741
182: ok 15742
182: ok 15743
182: ok 15744
182: ok 15745
182: ok 15746
182: ok 15747
182: ok 15748
182: ok 15749
182: ok 15750
182: ok 15751
182: ok 15752
182: ok 15753
182: ok 15754
182: ok 15755
182: ok 15756
182: ok 15757
182: ok 15758
182: ok 15759
182: ok 15760
182: ok 15761
182: ok 15762
182: ok 15763
182: ok 15764
182: ok 15765
182: ok 15766
182: ok 15767
182: ok 15768
182: ok 15769
182: ok 15770
182: ok 15771
182: ok 15772
182: ok 15773
182: ok 15774
182: ok 15775
182: ok 15776
182: ok 15777
182: ok 15778
182: ok 15779
182: ok 15780
182: ok 15781
182: ok 15782
182: ok 15783
182: ok 15784
182: ok 15785
182: ok 15786
182: ok 15787
182: ok 15788
182: ok 15789
182: ok 15790
182: ok 15791
182: ok 15792
182: ok 15793
182: ok 15794
182: ok 15795
182: ok 15796
182: ok 15797
182: ok 15798
182: ok 15799
182: ok 15800
182: ok 15801
182: ok 15802
182: ok 15803
182: ok 15804
182: ok 15805
182: ok 15806
182: ok 15807
182: ok 15808
182: ok 15809
182: ok 15810
182: ok 15811
182: ok 15812
182: ok 15813
182: ok 15814
182: ok 15815
182: ok 15816
182: ok 15817
182: ok 15818
182: ok 15819
182: ok 15820
182: ok 15821
182: ok 15822
182: ok 15823
182: ok 15824
182: ok 15825
182: ok 15826
182: ok 15827
182: ok 15828
182: ok 15829
182: ok 15830
182: ok 15831
182: ok 15832
182: ok 15833
182: ok 15834
182: ok 15835
182: ok 15836
182: ok 15837
182: ok 15838
182: ok 15839
182: ok 15840
182: ok 15841
182: ok 15842
182: ok 15843
182: ok 15844
182: ok 15845
182: ok 15846
182: ok 15847
182: ok 15848
182: ok 15849
182: ok 15850
182: ok 15851
182: ok 15852
182: ok 15853
182: ok 15854
182: ok 15855
182: ok 15856
182: ok 15857
182: ok 15858
182: ok 15859
182: ok 15860
182: ok 15861
182: ok 15862
182: ok 15863
182: ok 15864
182: ok 15865
182: ok 15866
182: ok 15867
182: ok 15868
182: ok 15869
182: ok 15870
182: ok 15871
182: ok 15872
182: ok 15873
182: ok 15874
182: ok 15875
182: ok 15876
182: ok 15877
182: ok 15878
182: ok 15879
182: ok 15880
182: ok 15881
182: ok 15882
182: ok 15883
182: ok 15884
182: ok 15885
182: ok 15886
182: ok 15887
182: ok 15888
182: ok 15889
182: ok 15890
182: ok 15891
182: ok 15892
182: ok 15893
182: ok 15894
182: ok 15895
182: ok 15896
182: ok 15897
182: ok 15898
182: ok 15899
182: ok 15900
182: ok 15901
182: ok 15902
182: ok 15903
182: ok 15904
182: ok 15905
182: ok 15906
182: ok 15907
182: ok 15908
182: ok 15909
182: ok 15910
182: ok 15911
182: ok 15912
182: ok 15913
182: ok 15914
182: ok 15915
182: ok 15916
182: ok 15917
182: ok 15918
182: ok 15919
182: ok 15920
182: ok 15921
182: ok 15922
182: ok 15923
182: ok 15924
182: ok 15925
182: ok 15926
182: ok 15927
182: ok 15928
182: ok 15929
182: ok 15930
182: ok 15931
182: ok 15932
182: ok 15933
182: ok 15934
182: ok 15935
182: ok 15936
182: ok 15937
182: ok 15938
182: ok 15939
182: ok 15940
182: ok 15941
182: ok 15942
182: ok 15943
182: ok 15944
182: ok 15945
182: ok 15946
182: ok 15947
182: ok 15948
182: ok 15949
182: ok 15950
182: ok 15951
182: ok 15952
182: ok 15953
182: ok 15954
182: ok 15955
182: ok 15956
182: ok 15957
182: ok 15958
182: ok 15959
182: ok 15960
182: ok 15961
182: ok 15962
182: ok 15963
182: ok 15964
182: ok 15965
182: ok 15966
182: ok 15967
182: ok 15968
182: ok 15969
182: ok 15970
182: ok 15971
182: ok 15972
182: ok 15973
182: ok 15974
182: ok 15975
182: ok 15976
182: ok 15977
182: ok 15978
182: ok 15979
182: ok 15980
182: ok 15981
182: ok 15982
182: ok 15983
182: ok 15984
182: ok 15985
182: ok 15986
182: ok 15987
182: ok 15988
182: ok 15989
182: ok 15990
182: ok 15991
182: ok 15992
182: ok 15993
182: ok 15994
182: ok 15995
182: ok 15996
182: ok 15997
182: ok 15998
182: ok 15999
182: ok 16000
182: # math: passed testEigenvectors
182: 1..16000
182: # math: 1 out of 16000 tests failed.
15: /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
183: # Unit tests for OBMol 
183: ok 1
183: ok 2
183: ok 3
183: ok 4
183: ok 5
183: ok 6
183: ok 7
183: ok 8
183: ok 9
183: ok 10
183: ok 11
183: ok 12
183: ok 13
183: ==============================
183: *** Open Babel Warning  in GetSpacedFormula
183:   Skipping unknown element with atomic number 200
183: ok 14
183: ok 15 0
183: 1..15
184: # Unit tests for OBMol 
184: ok 1
184: ok 2!
184: ok 3!
184: ok 4!
184: ok 5!
184: ok 6!
184: ok 7!
184: ok 8!
184: 1..6
177/208 Test #168: test_ffmmff94_5 ..................   Passed    1.48 sec
178/208 Test #170: test_ffuff_1 .....................   Passed    1.15 sec
179/208 Test #182: test_math_4 ......................***Failed  Error regular expression found in output. Regex=[not ok]  0.44 sec
# math: repeating each test 1000 times
# Testing MMFF94 Force Field...
# math: entering testEigenvalues
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not ok 3374 - In testEigenvalues(), in line 348, in file /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/math.cpp: expression ( eigenvals[0] < eigenvals[1] && eigenvals[1] < eigenvals[2] ) is false.
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ok 6784
ok 6785
ok 6786
ok 6787
ok 6788
ok 6789
ok 6790
ok 6791
ok 6792
ok 6793
ok 6794
ok 6795
ok 6796
ok 6797
ok 6798
ok 6799
ok 6800
ok 6801
ok 6802
ok 6803
ok 6804
ok 6805
ok 6806
ok 6807
ok 6808
ok 6809
ok 6810
ok 6811
ok 6812
ok 6813
ok 6814
ok 6815
ok 6816
ok 6817
ok 6818
ok 6819
ok 6820
ok 6821
ok 6822
ok 6823
ok 6824
ok 6825
ok 6826
ok 6827
ok 6828
ok 6829
ok 6830
ok 6831
ok 6832
ok 6833
ok 6834
ok 6835
ok 6836
ok 6837
ok 6838
ok 6839
ok 6840
ok 6841
ok 6842
ok 6843
ok 6844
ok 6845
ok 6846
ok 6847
ok 6848
ok 6849
ok 6850
ok 6851
ok 6852
ok 6853
ok 6854
ok 6855
ok 6856
ok 6857
ok 6858
ok 6859
ok 6860
ok 6861
ok 6862
ok 6863
ok 6864
ok 6865
ok 6866
ok 6867
ok 6868
ok 6869
ok 6870
ok 6871
ok 6872
ok 6873
ok 6874
ok 6875
ok 6876
ok 6877
ok 6878
ok 6879
ok 6880
ok 6881
ok 6882
ok 6883
ok 6884
ok 6885
ok 6886
ok 6887
ok 6888
ok 6889
ok 6890
ok 6891
ok 6892
ok 6893
ok 6894
ok 6895
ok 6896
ok 6897
ok 6898
ok 6899
ok 6900
ok 6901
ok 6902
ok 6903
ok 6904
ok 6905
ok 6906
ok 6907
ok 6908
ok 6909
ok 6910
ok 6911
ok 6912
ok 6913
ok 6914
ok 6915
ok 6916
ok 6917
ok 6918
ok 6919
ok 6920
ok 6921
ok 6922
ok 6923
ok 6924
ok 6925
ok 6926
ok 6927
ok 6928
ok 6929
ok 6930
ok 6931
ok 6932
ok 6933
ok 6934
ok 6935
ok 6936
ok 6937
ok 6938
ok 6939
ok 6940
ok 6941
ok 6942
ok 6943
ok 6944
ok 6945
ok 6946
ok 6947
ok 6948
ok 6949
ok 6950
ok 6951
ok 6952
ok 6953
ok 6954
ok 6955
ok 6956
ok 6957
ok 6958
ok 6959
ok 6960
ok 6961
ok 6962
ok 6963
ok 6964
ok 6965
ok 6966
ok 6967
ok 6968
ok 6969
ok 6970
ok 6971
ok 6972
ok 6973
ok 6974
ok 6975
ok 6976
ok 6977
ok 6978
ok 6979
ok 6980
ok 6981
ok 6982
ok 6983
ok 6984
ok 6985
ok 6986
ok 6987
ok 6988
ok 6989
ok 6990
ok 6991
ok 6992
ok 6993
ok 6994
ok 6995
ok 6996
ok 6997
ok 6998
ok 6999
ok 7000
# math: failed testEigenvalues
# math: entering testEigenvectors
ok 7001
ok 7002
ok 7003
ok 7004
ok 7005
ok 7006
ok 7007
ok 7008
ok 7009
ok 7010
ok 7011
ok 7012
ok 7013
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ok 7015
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ok 7025
ok 7026
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ok 7028
ok 7029
ok 7030
ok 7031
ok 7032
ok 7033
ok 7034
ok 7035
ok 7036
ok 7037
ok 7038
ok 7039
ok 7040
ok 7041
ok 7042
ok 7043
ok 7044
ok 7045
ok 7046
ok 7047
ok 7048
ok 7049
ok 7050
ok 7051
ok 7052
ok 7053
ok 7054
ok 7055
ok 7056
ok 7057
ok 7058
ok 7059
ok 7060
ok 7061
ok 7062
ok 7063
ok 7064
ok 7065
ok 7066
ok 7067
ok 7068
ok 7069
ok 7070
ok 7071
ok 7072
ok 7073
ok 7074
ok 7075
ok 7076
ok 7077
ok 7078
ok 7079
ok 7080
ok 7081
ok 7082
ok 7083
ok 7084
ok 7085
ok 7086
ok 7087
ok 7088
ok 7089
ok 7090
ok 7091
ok 7092
ok 7093
ok 7094
ok 7095
ok 7096
ok 7097
ok 7098
ok 7099
ok 7100
ok 7101
ok 7102
ok 7103
ok 7104
ok 7105
ok 7106
ok 7107
ok 7108
ok 7109
ok 7110
ok 7111
ok 7112
ok 7113
ok 7114
ok 7115
ok 7116
ok 7117
ok 7118
ok 7119
ok 7120
ok 7121
ok 7122
ok 7123
ok 7124
ok 7125
ok 7126
ok 7127
ok 7128
ok 7129
ok 7130
ok 7131
ok 7132
ok 7133
ok 7134
ok 7135
ok 7136
ok 7137
ok 7138
ok 7139
ok 7140
ok 7141
ok 7142
ok 7143
ok 7144
ok 7145
ok 7146
ok 7147
ok 7148
ok 7149
ok 7150
ok 7151
ok 7152
ok 7153
ok 7154
ok 7155
ok 7156
ok 7157
ok 7158
ok 7159
ok 7160
ok 7161
ok 7162
ok 7163
ok 7164
ok 7165
ok 7166
ok 7167
ok 7168
ok 7169
ok 7170
ok 7171
ok 7172
ok 7173
ok 7174
ok 7175
ok 7176
ok 7177
ok 7178
ok 7179
ok 7180
ok 7181
ok 7182
ok 7183
ok 7184
ok 7185
ok 7186
ok 7187
ok 7188
ok 7189
ok 7190
ok 7191
ok 7192
ok 7193
ok 7194
ok 7195
ok 7196
ok 7197
ok 7198
ok 7199
ok 7200
ok 7201
ok 7202
ok 7203
ok 7204
ok 7205
ok 7206
ok 7207
ok 7208
ok 7209
ok 7210
ok 7211
ok 7212
ok 7213
ok 7214
ok 7215
ok 7216
ok 7217
ok 7218
ok 7219
ok 7220
ok 7221
ok 7222
ok 7223
ok 7224
ok 7225
ok 7226
ok 7227
ok 7228
ok 7229
ok 7230
ok 7231
ok 7232
ok 7233
ok 7234
ok 7235
ok 7236
ok 7237
ok 7238
ok 7239
ok 7240
ok 7241
ok 7242
ok 7243
ok 7244
ok 7245
ok 7246
ok 7247
ok 7248
ok 7249
ok 7250
ok 7251
ok 7252
ok 7253
ok 7254
ok 7255
ok 7256
ok 7257
ok 7258
ok 7259
ok 7260
ok 7261
ok 7262
ok 7263
ok 7264
ok 7265
ok 7266
ok 7267
ok 7268
ok 7269
ok 7270
ok 7271
ok 7272
ok 7273
ok 7274
ok 7275
ok 7276
ok 7277
ok 7278
ok 7279
ok 7280
ok 7281
ok 7282
ok 7283
ok 7284
ok 7285
ok 7286
ok 7287
ok 7288
ok 7289
ok 7290
ok 7291
ok 7292
ok 7293
ok 7294
ok 7295
ok 7296
ok 7297
ok 7298
ok 7299
ok 7300
ok 7301
ok 7302
ok 7303
ok 7304
ok 7305
ok 7306
ok 7307
ok 7308
ok 7309
ok 7310
ok 7311
ok 7312
ok 7313
ok 7314
ok 7315
ok 7316
ok 7317
ok 7318
ok 7319
ok 7320
ok 7321
ok 7322
ok 7323
ok 7324
ok 7325
ok 7326
ok 7327
ok 7328
ok 7329
ok 7330
ok 7331
ok 7332
ok 7333
ok 7334
ok 7335
ok 7336
ok 7337
ok 7338
ok 7339
ok 7340
ok 7341
ok 7342
ok 7343
ok 7344
ok 7345
ok 7346
ok 7347
ok 7348
ok 7349
ok 7350
ok 7351
ok 7352
ok 7353
ok 7354
ok 7355
ok 7356
ok 7357
ok 7358
ok 7359
ok 7360
ok 7361
ok 7362
ok 7363
ok 7364
ok 7365
ok 7366
ok 7367
ok 7368
ok 7369
ok 7370
ok 7371
ok 7372
ok 7373
ok 7374
ok 7375
ok 7376
ok 7377
ok 7378
ok 7379
ok 7380
ok 7381
ok 7382
ok 7383
ok 7384
ok 7385
ok 7386
ok 7387
ok 7388
ok 7389
ok 7390
ok 7391
ok 7392
ok 7393
ok 7394
ok 7395
ok 7396
ok 7397
ok 7398
ok 7399
ok 7400
ok 7401
ok 7402
ok 7403
ok 7404
ok 7405
ok 7406
ok 7407
ok 7408
ok 7409
ok 7410
ok 7411
ok 7412
ok 7413
ok 7414
ok 7415
ok 7416
ok 7417
ok 7418
ok 7419
ok 7420
ok 7421
ok 7422
ok 7423
ok 7424
ok 7425
ok 7426
ok 7427
ok 7428
ok 7429
ok 7430
ok 7431
ok 7432
ok 7433
ok 7434
ok 7435
ok 7436
ok 7437
ok 7438
ok 7439
ok 7440
ok 7441
ok 7442
ok 7443
ok 7444
ok 7445
ok 7446
ok 7447
ok 7448
ok 7449
ok 7450
ok 7451
ok 7452
ok 7453
ok 7454
ok 7455
ok 7456
ok 7457
ok 7458
ok 7459
ok 7460
ok 7461
ok 7462
ok 7463
ok 7464
ok 7465
ok 7466
ok 7467
ok 7468
ok 7469
ok 7470
ok 7471
ok 7472
ok 7473
ok 7474
ok 7475
ok 7476
ok 7477
ok 7478
ok 7479
ok 7480
ok 7481
ok 7482
ok 7483
ok 7484
ok 7485
ok 7486
ok 7487
ok 7488
ok 7489
ok 7490
ok 7491
ok 7492
ok 7493
ok 7494
ok 7495
ok 7496
ok 7497
ok 7498
ok 7499
ok 7500
ok 7501
ok 7502
ok 7503
ok 7504
ok 7505
ok 7506
ok 7507
ok 7508
ok 7509
ok 7510
ok 7511
ok 7512
ok 7513
ok 7514
ok 7515
ok 7516
ok 7517
ok 7518
ok 7519
ok 7520
ok 7521
ok 7522
ok 7523
ok 7524
ok 7525
ok 7526
ok 7527
ok 7528
ok 7529
ok 7530
ok 7531
ok 7532
ok 7533
ok 7534
ok 7535
ok 7536
ok 7537
ok 7538
ok 7539
ok 7540
ok 7541
ok 7542
ok 7543
ok 7544
ok 7545
ok 7546
ok 7547
ok 7548
ok 7549
ok 7550
ok 7551
ok 7552
ok 7553
ok 7554
ok 7555
ok 7556
ok 7557
ok 7558
ok 7559
ok 7560
ok 7561
ok 7562
ok 7563
ok 7564
ok 7565
ok 7566
ok 7567
ok 7568
ok 7569
ok 7570
ok 7571
ok 7572
ok 7573
ok 7574
ok 7575
ok 7576
ok 7577
ok 7578
ok 7579
ok 7580
ok 7581
ok 7582
ok 7583
ok 7584
ok 7585
ok 7586
ok 7587
ok 7588
ok 7589
ok 7590
ok 7591
ok 7592
ok 7593
ok 7594
ok 7595
ok 7596
ok 7597
ok 7598
ok 7599
ok 7600
ok 7601
ok 7602
ok 7603
ok 7604
ok 7605
ok 7606
ok 7607
ok 7608
ok 7609
ok 7610
ok 7611
ok 7612
ok 7613
ok 7614
ok 7615
ok 7616
ok 7617
ok 7618
ok 7619
ok 7620
ok 7621
ok 7622
ok 7623
ok 7624
ok 7625
ok 7626
ok 7627
ok 7628
ok 7629
ok 7630
ok 7631
ok 7632
ok 7633
ok 7634
ok 7635
ok 7636
ok 7637
ok 7638
ok 7639
ok 7640
ok 7641
ok 7642
ok 7643
ok 7644
ok 7645
ok 7646
ok 7647
ok 7648
ok 7649
ok 7650
ok 7651
ok 7652
ok 7653
ok 7654
ok 7655
ok 7656
ok 7657
ok 7658
ok 7659
ok 7660
ok 7661
ok 7662
ok 7663
ok 7664
ok 7665
ok 7666
ok 7667
ok 7668
ok 7669
ok 7670
ok 7671
ok 7672
ok 7673
ok 7674
ok 7675
ok 7676
ok 7677
ok 7678
ok 7679
ok 7680
ok 7681
ok 7682
ok 7683
ok 7684
ok 7685
ok 7686
ok 7687
ok 7688
ok 7689
ok 7690
ok 7691
ok 7692
ok 7693
ok 7694
ok 7695
ok 7696
ok 7697
ok 7698
ok 7699
ok 7700
ok 7701
ok 7702
ok 7703
ok 7704
ok 7705
ok 7706
ok 7707
ok 7708
ok 7709
ok 7710
ok 7711
ok 7712
ok 7713
ok 7714
ok 7715
ok 7716
ok 7717
ok 7718
ok 7719
ok 7720
ok 7721
ok 7722
ok 7723
ok 7724
ok 7725
ok 7726
ok 7727
ok 7728
ok 7729
ok 7730
ok 7731
ok 7732
ok 7733
ok 7734
ok 7735
ok 7736
ok 7737
ok 7738
ok 7739
ok 7740
ok 7741
ok 7742
ok 7743
ok 7744
ok 7745
ok 7746
ok 7747
ok 7748
ok 7749
ok 7750
ok 7751
ok 7752
ok 7753
ok 7754
ok 7755
ok 7756
ok 7757
ok 7758
ok 7759
ok 7760
ok 7761
ok 7762
ok 7763
ok 7764
ok 7765
ok 7766
ok 7767
ok 7768
ok 7769
ok 7770
ok 7771
ok 7772
ok 7773
ok 7774
ok 7775
ok 7776
ok 7777
ok 7778
ok 7779
ok 7780
ok 7781
ok 7782
ok 7783
ok 7784
ok 7785
ok 7786
ok 7787
ok 7788
ok 7789
ok 7790
ok 7791
ok 7792
ok 7793
ok 7794
ok 7795
ok 7796
ok 7797
ok 7798
ok 7799
ok 7800
ok 7801
ok 7802
ok 7803
ok 7804
ok 7805
ok 7806
ok 7807
ok 7808
ok 7809
ok 7810
ok 7811
ok 7812
ok 7813
ok 7814
ok 7815
ok 7816
ok 7817
ok 7818
ok 7819
ok 7820
ok 7821
ok 7822
ok 7823
ok 7824
ok 7825
ok 7826
ok 7827
ok 7828
ok 7829
ok 7830
ok 7831
ok 7832
ok 7833
ok 7834
ok 7835
ok 7836
ok 7837
ok 7838
ok 7839
ok 7840
ok 7841
ok 7842
ok 7843
ok 7844
ok 7845
ok 7846
ok 7847
ok 7848
ok 7849
ok 7850
ok 7851
ok 7852
ok 7853
ok 7854
ok 7855
ok 7856
ok 7857
ok 7858
ok 7859
ok 7860
ok 7861
ok 7862
ok 7863
ok 7864
ok 7865
ok 7866
ok 7867
ok 7868
ok 7869
ok 7870
ok 7871
ok 7872
ok 7873
ok 7874
ok 7875
ok 7876
ok 7877
ok 7878
ok 7879
ok 7880
ok 7881
ok 7882
ok 7883
ok 7884
ok 7885
ok 7886
ok 7887
ok 7888
ok 7889
ok 7890
ok 7891
ok 7892
ok 7893
ok 7894
ok 7895
ok 7896
ok 7897
ok 7898
ok 7899
ok 7900
ok 7901
ok 7902
ok 7903
ok 7904
ok 7905
ok 7906
ok 7907
ok 7908
ok 7909
ok 7910
ok 7911
ok 7912
ok 7913
ok 7914
ok 7915
ok 7916
ok 7917
ok 7918
ok 7919
ok 7920
ok 7921
ok 7922
ok 7923
ok 7924
ok 7925
ok 7926
ok 7927
ok 7928
ok 7929
ok 7930
ok 7931
ok 7932
ok 7933
ok 7934
ok 7935
ok 7936
ok 7937
ok 7938
ok 7939
ok 7940
ok 7941
ok 7942
ok 7943
ok 7944
ok 7945
ok 7946
ok 7947
ok 7948
ok 7949
ok 7950
ok 7951
ok 7952
ok 7953
ok 7954
ok 7955
ok 7956
ok 7957
ok 7958
ok 7959
ok 7960
ok 7961
ok 7962
ok 7963
ok 7964
ok 7965
ok 7966
ok 7967
ok 7968
ok 7969
ok 7970
ok 7971
ok 7972
ok 7973
ok 7974
ok 7975
ok 7976
ok 7977
ok 7978
ok 7979
ok 7980
ok 7981
ok 7982
ok 7983
ok 7984
ok 7985
ok 7986
ok 7987
ok 7988
ok 7989
ok 7990
ok 7991
ok 7992
ok 7993
ok 7994
ok 7995
ok 7996
ok 7997
ok 7998
ok 7999
ok 8000
ok 8001
ok 8002
ok 8003
ok 8004
ok 8005
ok 8006
ok 8007
ok 8008
ok 8009
ok 8010
ok 8011
ok 8012
ok 8013
ok 8014
ok 8015
ok 8016
ok 8017
ok 8018
ok 8019
ok 8020
ok 8021
ok 8022
ok 8023
ok 8024
ok 8025
ok 8026
ok 8027
ok 8028
ok 8029
ok 8030
ok 8031
ok 8032
ok 8033
ok 8034
ok 8035
ok 8036
ok 8037
ok 8038
ok 8039
ok 8040
ok 8041
ok 8042
ok 8043
ok 8044
ok 8045
ok 8046
ok 8047
ok 8048
ok 8049
ok 8050
ok 8051
ok 8052
ok 8053
ok 8054
ok 8055
ok 8056
ok 8057
ok 8058
ok 8059
ok 8060
ok 8061
ok 8062
ok 8063
ok 8064
ok 8065
ok 8066
ok 8067
ok 8068
ok 8069
ok 8070
ok 8071
ok 8072
ok 8073
ok 8074
ok 8075
ok 8076
ok 8077
ok 8078
ok 8079
ok 8080
ok 8081
ok 8082
ok 8083
ok 8084
ok 8085
ok 8086
ok 8087
ok 8088
ok 8089
ok 8090
ok 8091
ok 8092
ok 8093
ok 8094
ok 8095
ok 8096
ok 8097
ok 8098
ok 8099
ok 8100
ok 8101
ok 8102
ok 8103
ok 8104
ok 8105
ok 8106
ok 8107
ok 8108
ok 8109
ok 8110
ok 8111
ok 8112
ok 8113
ok 8114
ok 8115
ok 8116
ok 8117
ok 8118
ok 8119
ok 8120
ok 8121
ok 8122
ok 8123
ok 8124
ok 8125
ok 8126
ok 8127
ok 8128
ok 8129
ok 8130
ok 8131
ok 8132
ok 8133
ok 8134
ok 8135
ok 8136
ok 8137
ok 8138
ok 8139
ok 8140
ok 8141
ok 8142
ok 8143
ok 8144
ok 8145
ok 8146
ok 8147
ok 8148
ok 8149
ok 8150
ok 8151
ok 8152
ok 8153
ok 8154
ok 8155
ok 8156
ok 8157
ok 8158
ok 8159
ok 8160
ok 8161
ok 8162
ok 8163
ok 8164
ok 8165
ok 8166
ok 8167
ok 8168
ok 8169
ok 8170
ok 8171
ok 8172
ok 8173
ok 8174
ok 8175
ok 8176
ok 8177
ok 8178
ok 8179
ok 8180
ok 8181
ok 8182
ok 8183
ok 8184
ok 8185
ok 8186
ok 8187
ok 8188
ok 8189
ok 8190
ok 8191
ok 8192
ok 8193
ok 8194
ok 8195
ok 8196
ok 8197
ok 8198
ok 8199
ok 8200
ok 8201
ok 8202
ok 8203
ok 8204
ok 8205
ok 8206
ok 8207
ok 8208
ok 8209
ok 8210
ok 8211
ok 8212
ok 8213
ok 8214
ok 8215
ok 8216
ok 8217
ok 8218
ok 8219
ok 8220
ok 8221
ok 8222
ok 8223
ok 8224
ok 8225
ok 8226
ok 8227
ok 8228
ok 8229
ok 8230
ok 8231
ok 8232
ok 8233
ok 8234
ok 8235
ok 8236
ok 8237
ok 8238
ok 8239
ok 8240
ok 8241
ok 8242
ok 8243
ok 8244
ok 8245
ok 8246
ok 8247
ok 8248
ok 8249
ok 8250
ok 8251
ok 8252
ok 8253
ok 8254
ok 8255
ok 8256
ok 8257
ok 8258
ok 8259
ok 8260
ok 8261
ok 8262
ok 8263
ok 8264
ok 8265
ok 8266
ok 8267
ok 8268
ok 8269
ok 8270
ok 8271
ok 8272
ok 8273
ok 8274
ok 8275
ok 8276
ok 8277
ok 8278
ok 8279
ok 8280
ok 8281
ok 8282
ok 8283
ok 8284
ok 8285
ok 8286
ok 8287
ok 8288
ok 8289
ok 8290
ok 8291
ok 8292
ok 8293
ok 8294
ok 8295
ok 8296
ok 8297
ok 8298
ok 8299
ok 8300
ok 8301
ok 8302
ok 8303
ok 8304
ok 8305
ok 8306
ok 8307
ok 8308
ok 8309
ok 8310
ok 8311
ok 8312
ok 8313
ok 8314
ok 8315
ok 8316
ok 8317
ok 8318
ok 8319
ok 8320
ok 8321
ok 8322
ok 8323
ok 8324
ok 8325
ok 8326
ok 8327
ok 8328
ok 8329
ok 8330
ok 8331
ok 8332
ok 8333
ok 8334
ok 8335
ok 8336
ok 8337
ok 8338
ok 8339
ok 8340
ok 8341
ok 8342
ok 8343
ok 8344
ok 8345
ok 8346
ok 8347
ok 8348
ok 8349
ok 8350
ok 8351
ok 8352
ok 8353
ok 8354
ok 8355
ok 8356
ok 8357
ok 8358
ok 8359
ok 8360
ok 8361
ok 8362
ok 8363
ok 8364
ok 8365
ok 8366
ok 8367
ok 8368
ok 8369
ok 8370
ok 8371
ok 8372
ok 8373
ok 8374
ok 8375
ok 8376
ok 8377
ok 8378
ok 8379
ok 8380
ok 8381
ok 8382
ok 8383
ok 8384
ok 8385
ok 8386
ok 8387
ok 8388
ok 8389
ok 8390
ok 8391
ok 8392
ok 8393
ok 8394
ok 8395
ok 8396
ok 8397
ok 8398
ok 8399
ok 8400
ok 8401
ok 8402
ok 8403
ok 8404
ok 8405
ok 8406
ok 8407
ok 8408
ok 8409
ok 8410
ok 8411
ok 8412
ok 8413
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ok 16000
# math: passed testEigenvectors
1..16000
# math: 1 out of 16000 tests failed.
180/208 Test #183: test_mol_1 .......................   Passed    0.44 sec
181/208 Test #184: test_pdbreadfile_1 ...............   Passed    0.43 sec
test 185
        Start 185: test_pdbreadfile_2
185: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "pdbreadfile" "2"
185: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
185: Environment variables: 
185:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
185:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
185: Test timeout computed to be: 1500
test 186
        Start 186: test_pdbreadfile_3
186: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "pdbreadfile" "3"
186: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
186: Environment variables: 
186:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
186:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
186: Test timeout computed to be: 1500
test 187
        Start 187: test_pdbreadfile_4
187: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "pdbreadfile" "4"
187: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
187: Environment variables: 
187:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
187:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
187: Test timeout computed to be: 1500
test 188
        Start 188: test_phmodel_1
188: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "phmodel" "1"
188: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
188: Environment variables: 
188:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
188:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
188: Test timeout computed to be: 1500
test 189
        Start 189: test_residue_1
189: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "residue" "1"
189: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
189: Environment variables: 
189:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
189:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
189: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ki3_g9h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ki4_g9p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ki5_g9m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ki6_g9l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ki7_g9i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kid_2bs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kiv_aca.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kjs_dq1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kjs_nap.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kkm_gnp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kkt_0cp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kku_b95.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kkv_b99.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kl6_443.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3klp_b81.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3km4_22x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3km8_9di.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kmc_403.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kme_z59.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kmg_538.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kmr_eqn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kmz_eqo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ko0_tfp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3koh_oio.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3koo_24d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3kox_z98.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ll5_ip8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lm0_ebd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lm1_lec.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lmp_cek.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lmx_dhb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ln0_52b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lp0_lp7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lp1_lp8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lp2_lp9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lpb_nvb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lpf_z77.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lpg_z78.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lpt_723.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lpu_976.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lpu_p03.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lq5_slq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lq8_88z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lqs_psz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ls8_ajz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lsw_4mp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lt5_blq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ltn_pdq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lu6_imx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lu7_ipx.sdf
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 1)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 2)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 3)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 4)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 5)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 6)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 7)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 8)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 9)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 10)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 11)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 12)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 13)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 14)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 15)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 16)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 17)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 18)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 19)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 20)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 21)
185: ==============================
185: *** Open Babel Warning  in parseAtomRecord
185:   WARNING: Problems reading a PDB file
185:   Problems reading a HETATM or ATOM record.
185:   According to the PDB specification,
185:   columns 77-78 should contain the element symbol of an atom.
185:   but OpenBabel found '  ' (atom 22)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lu8_iqx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lvp_pdr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lvv_lbp.sdf
185: # Unit tests for OBMol 
185: ok 1
185: ok 2!
185: ok 3!
185: ok 4!
185: ok 5!
185: ok 6!
185: ok 7!
185: ok 8!
185: 1..6
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lw0_ccx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lxg_z73.sdf
182/208 Test #185: test_pdbreadfile_2 ...............   Passed    0.11 sec
test 190
        Start 190: test_ringtest_1
190: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "ringtest" "1"
190: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
190: Environment variables: 
190:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
190:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
190: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lxk_mi1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ly2_z72.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lyi_ocs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lz6_a0d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3lzb_iti.sdf
15: /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m02_2cf.sdf
190: # Testing ring perception...
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m08_rar.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m0w_p77.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m11_aki.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m1o_cjz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m1s_dw1.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 12 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m1z_bmp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m2j_f5m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m2n_j74.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m2w_l8i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m2x_bex.sdf
189: # Unit tests for OBResidue 
189: ok 1
189: ok 2
189: ok 3
189: ok 4 # ALA
189: ok 5 # ARG
189: ok 6 # ASN
189: ok 7 # ASP
189: ok 8 # CYS
189: ok 9 # GLU
189: ok 10 # GLN
189: ok 11 # GLY
189: ok 12 # HIS
189: ok 13 # ILE
189: ok 14 # LEU
189: ok 15 # LYS
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m35_m35.sdf
189: ok 16 # MET
189: ok 17 # PHE
189: ok 18 # PRO
189: ok 19 # SER
189: ok 20 # THR
189: ok 21 # TRP
189: ok 22 # TYR
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m3x_js7.sdf
189: ok 23 # VAL
189: ok 24 #   A
189: ok 25 #   C
189: ok 26 #   G
189: ok 27 #   T
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m3z_3f5.sdf
189: ok 28 #   U
189: ==============================
189: *** Open Babel Warning  in ParseSmiles
189:   Failed to kekulize aromatic SMILES
189: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m42_hgf.sdf
189: ok 29 # found ligand, not residue c1ccccc1
189: ok 30 # found ligand, not residue c1cccn[H]1
189: ok 31 # found ligand, not residue CC(=O)CCN
189: ok 32 # ALA VAL
189: ok 33 # CYS LEU
189: 1..33
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m50_ebt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m51_yr1.sdf
183/208 Test #189: test_residue_1 ...................   Passed    0.12 sec
test 191
        Start 191: test_smartstest_1
191: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "smartstest" "1"
191: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
191: Environment variables: 
191:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
191:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
191: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m5c_pa9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m5e_jdr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m67_e36.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m6f_bjz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m6g_lo3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m8q_djz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m8r_hxz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m8s_hxb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m96_e38.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3m98_e02.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ma3_01i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mag_3ma.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3max_llx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mb7_14i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mbl_lsg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mbm_717.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mct_3mc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mcy_zh1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mdc_gtf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mdm_fjz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mdr_gjz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mdv_cl6.sdf
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 1)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 2)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 3)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 4)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 5)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 6)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 7)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 8)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 9)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 10)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 11)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 12)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 13)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 14)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 15)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 16)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 17)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 18)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 19)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 20)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 21)
187: ==============================
187: *** Open Babel Warning  in parseAtomRecord
187:   WARNING: Problems reading a PDB file
187:   Problems reading a HETATM or ATOM record.
187:   According to the PDB specification,
187:   columns 77-78 should contain the element symbol of an atom.
187:   but OpenBabel found '  ' (atom 22)
187: # Unit tests for OBMol 
187: ok 1
187: ok 2!
187: ok 3!
187: ok 4!
187: ok 5!
187: ok 6!
187: ok 7!
187: ok 8!
187: 1..6
191: 
184/208 Test #187: test_pdbreadfile_4 ...............   Passed    0.14 sec
test 192
        Start 192: test_smartsparse_1
192: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "smartsparse" "1"
192: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
192: Environment variables: 
192:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
192:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
192: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3me3_3sz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3me6_cge.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mee_t27.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mf5_hjz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mfh_dtp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mfv_z70.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mfw_b3u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mg3_ech.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mhj_m3f.sdf
192: # Testing SMARTS Parsing...  
192: ok 1
192: ok 2
192: ok 3
192: ok 4
192: ok 5
192: ok 6
192: ok 7
192: ok 8
192: ok 9
192: ok 10
192: ok 11
192: ok 12
192: ok 13
192: ok 14
192: ok 15
192: ok 16
192: ok 17
192: ok 18
192: ok 19
192: ok 20
192: ok 21
192: ok 22
192: ok 23
192: ok 24
192: ok 25
192: ok 26
192: ok 27
192: ok 28
192: ok 29
192: ok 30
192: ok 31
192: ok 32
192: ok 33
192: ok 34
192: ok 35
192: ok 36
192: ok 37
192: ok 38
192: ok 39
192: ok 40
192: ok 41
192: ok 42
192: ok 43
192: ok 44
192: ok 45
192: ok 46
192: ok 47
192: ok 48
192: ok 49
192: ok 50
192: ok 51
192: ok 52
192: ok 53
192: ok 54
192: ok 55
192: ok 56
192: ok 57
192: ok 58
192: ok 59
192: ok 60
192: ok 61
192: ok 62
192: ok 63
192: ok 64
192: ok 65
192: ok 66
192: ok 67
192: ok 68
192: ok 69
192: ok 70
192: ok 71
192: ok 72
192: ok 73
192: ok 74
192: ok 75
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mhl_j71.sdf
192: ok 76
192: ok 77
192: ok 78
192: ok 79
192: ok 80
192: ok 81
192: ok 82
192: ok 83
192: ok 84
192: ok 85
192: ok 86
192: ok 87
192: ok 88
192: ok 89
192: ok 90
192: ok 91
192: ok 92
192: ok 93
192: ok 94
192: ok 95
192: ok 96
192: ok 97
192: ok 98
192: ok 99
192: ok 100
192: ok 101
192: ok 102
192: ok 103
192: ok 104
192: ok 105
192: ok 106
192: ok 107
192: ok 108
192: ok 109
192: ok 110
192: ok 111
192: ok 112
192: ok 113
192: ok 114
192: ok 115
192: ok 116
192: ok 117
192: ok 118
192: ok 119
192: ok 120
192: ok 121
192: ok 122
192: ok 123
192: ok 124
192: ok 125
192: ok 126
192: ok 127
192: ok 128
192: ok 129
192: ok 130
192: ok 131
192: ok 132
192: ok 133
192: ok 134
192: ok 135
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mhm_j75.sdf
192: ok 136
192: ok 137
192: ok 138
192: ok 139
192: ok 140
192: ok 141
192: ok 142
192: ok 143
192: ok 144
192: ok 145
192: ok 146
192: ok 147
192: ok 148
192: ok 149
192: ok 150
192: ok 151
192: ok 152
192: ok 153
192: ok 154
192: ok 155
192: ok 156
192: ok 157
192: ok 158
192: ok 159
192: ok 160
192: ok 161
192: ok 162
192: ok 163
192: ok 164
192: ok 165
192: ok 166
192: ok 167
192: ok 168
192: ok 169
192: ok 170
192: ok 171
192: ok 172
192: ok 173
192: ok 174
192: ok 175
192: ok 176
192: ok 177
192: ok 178
192: ok 179
192: ok 180
192: ok 181
192: ok 182
192: ok 183
192: ok 184
192: ok 185
192: ok 186
192: ok 187
192: ok 188
192: ok 189
192: ok 190
192: ok 191
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mhw_abv.sdf
192: ok 192
192: ok 193
192: ok 194
192: ok 195
192: ok 196
192: ok 197
192: ok 198
192: ok 199
192: ok 200
192: ok 201
192: ok 202
192: ok 203
192: ok 204
192: ok 205
192: ok 206
192: ok 207
192: ok 208
192: ok 209
192: ok 210
192: ok 211
192: ok 212
192: ok 213
192: ok 214
192: ok 215
192: ok 216
192: ok 217
192: ok 218
192: ok 219
192: ok 220
192: ok 221
192: ok 222
192: ok 223
192: ok 224
192: ok 225
192: ok 226
192: ok 227
192: ok 228
192: 1..228
185/208 Test #192: test_smartsparse_1 ...............   Passed    0.01 sec
test 193
        Start 193: test_smilesmatch_1
193: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "smilesmatch" "1"
193: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
193: Environment variables: 
193:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
193:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
193: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mj1_614.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mj2_mjg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mj5_grm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mjl_2ai.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mjm_ncd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mjn_rnp.sdf
193: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mjw_wyf.sdf
188: # Asp
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mjx_bit.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mke_cb4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mkn_dnb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mkp_sgn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mks_c1c.sdf
188: #pH = 1.0 : [NH3+]C(CC(=O)O)C(=O)O	
188: ok 1
188: #pH = 3.9 : [NH3+]C(CC(=O)[O-])C(=O)O	
188: ok 2
188: #pH = 7.4 : [NH3+]C(CC(=O)[O-])C(=O)[O-]	
188: ok 3
188: #pH = 13.0 : NC(CC(=O)[O-])C(=O)[O-]	
188: ok 4
188: # Glu
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ml2_su0.sdf
188: #pH = 1.0 : [NH3+]C(CCC(=O)O)C(=O)O	
188: ok 5
188: #pH = 4.15 : [NH3+]C(CCC(=O)[O-])C(=O)[O-]	
188: #pH = 7.4 : [NH3+]C(CCC(=O)[O-])C(=O)[O-]	
188: ok 6
188: #pH = 13.0 : NC(CCC(=O)[O-])C(=O)[O-]	
188: ok 7
188: # His
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ml8_ml8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ml9_ml9.sdf
186: # Unit tests for OBMol 
186: ok 1
186: ok 2!
186: ok 3!
186: ok 4!
186: ok 5!
186: ok 6!
186: ok 7!
186: ok 8!
188: #pH = 1.0 : [NH3+]C(Cc1[nH+]c[nH]c1)C(=O)O	
188: ok 8
188: #pH = 5.0 : [NH3+]C(Cc1[nH+]c[nH]c1)C(=O)[O-]	
188: ok 9
188: #pH = 7.4 : [NH3+]C(Cc1nc[nH]c1)C(=O)[O-]	
188: ok 10
188: #pH = 13.0 : NC(Cc1nc[nH]c1)C(=O)[O-]	
188: ok 11
188: # Lys
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mla_jjz.sdf
186: 1..6
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mlb_ljz.sdf
188: #pH = 1.0 : [NH3+]C(CCCC[NH3+])C(=O)O	
188: ok 12
188: #pH = 7.4 : [NH3+]C(CCCC[NH3+])C(=O)[O-]	
188: ok 13
188: #pH = 9.0 : [NH3+]C(CCCC[NH3+])C(=O)[O-]	
188: #pH = 13.0 : NC(CCCCN)C(=O)[O-]	
188: ok 14
188: # Tyr
186/208 Test #186: test_pdbreadfile_3 ...............   Passed    0.17 sec
test 194
        Start 194: test_unitcell_1
194: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "unitcell" "1"
194: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
194: Environment variables: 
194:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
194:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
194: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mmx_kjz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mna_dwh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mnp_dex.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mnr_sd1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mo2_e67.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mo5_e72.sdf
188: #pH = 1.0 : [NH3+]C(Cc1ccc(O)cc1)C(=O)O	
188: ok 15
188: #pH = 7.4 : [NH3+]C(Cc1ccc(O)cc1)C(=O)[O-]	
188: ok 16
188: #pH = 10.05 : NC(Cc1ccc(O)cc1)C(=O)[O-]	
188: ok 17
188: #pH = 13.0 : NC(Cc1ccc([O-])cc1)C(=O)[O-]	
188: ok 18
188: # Arg
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3moo_vea.sdf
188: #pH = 1.0 : [NH3+]C(CCCNC(=[NH2+])N)C(=O)O	
188: ok 19
188: #pH = 7.4 : [NH3+]C(CCCNC(=[NH2+])N)C(=O)[O-]	
188: ok 20
188: #pH = 11.0 : NC(CCCNC(=[NH2+])N)C(=O)[O-]	
188: ok 21
188: #pH = 13.0 : NC(CCCNC(=N)N)C(=O)[O-]	
188: ok 22
188: # Gly-Gly
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mow_b2b.sdf
188: #pH = 1.0 : [NH3+]CC(=O)NCC(=O)O	
188: ok 23
188: #pH = 7.4 : [NH3+]CC(=O)NCC(=O)[O-]	
188: ok 24
188: #pH = 13.0 : NCC(=O)NCC(=O)[O-]	
188: ok 25
188: 1..25
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mpf_n2d.sdf
187/208 Test #188: test_phmodel_1 ...................   Passed    0.18 sec
test 195
        Start 195: test_cmlreadfile_1
195: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_runner "cmlreadfile" "1"
195: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
195: Environment variables: 
195:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
195:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
195: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mpm_5lk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mq4_z99.sdf
194: # Testing unit cell transformations ...
194: 1..12
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mqe_416.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mqf_20x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mrt_12e.sdf
194: ok 1 # a distance
194: ok 2 # b distance
194: ok 3 # c distance
194: ok 4 # alpha angle
194: ok 5 # beta angle
194: ok 6 # gamma angle
194: ok 7 # a distance
194: ok 8 # b distance
194: ok 9 # c distance
194: ok 10 # a angle
194: ok 11 # beta angle
194: ok 12 # gamma angle
194: # Testing unit cell coordinate functions ...
194: 13..24
194: ok 13 # wrapped cartesian x
194: ok 14 # wrapped cartesian y
194: ok 15 # wrapped cartesian z
194: ok 16 # wrapped fractional x
194: ok 17 # wrapped fractional y
194: ok 18 # wrapped fractional z
194: ok 19 # cart2frac x
194: ok 20 # cart2frac y
194: ok 21 # cart2frac z
194: ok 22 # frac2cart x
194: ok 23 # frac2cart y
194: ok 24 # frac2cart z
194: # cell volume 45.64
194: # lattice type 2
194: # cell volume 45.64
194: # lattice type 2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mrv_16f.sdf
188/208 Test #194: test_unitcell_1 ..................   Passed    0.02 sec
test 196
        Start 196: inchiSamples.sdf_Test
196: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_inchiwrite "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/Samples.sdf" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/Samples.sdf.txt"
196: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
196: Environment variables: 
196:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
196:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
196: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mrx_17s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ms2_18s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ms3_anl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ms4_21n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ms5_oga.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ms5_ree.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ms7_22s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3ms9_ms9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3msa_b3r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3msc_24s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mss_ms7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3msx_mgf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mt7_16o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mt8_17t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mt9_18o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mta_22o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mtb_23v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mtd_25e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mtf_a3f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mth_mpb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mtl_fef.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mu6_bxl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mv5_xfe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mvh_wfe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mvl_38p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mvm_39p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mvr_cm5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mvx_bhz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mvz_bhn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mw1_mih.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mwi_b25.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3my1_rfz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3my6_my6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3myg_eml.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3myq_e27.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3mzb_bhr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n0n_p9b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n0t_opy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n1v_3n1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n1w_3n2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n2e_osa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n2p_ayx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n2r_xjh.sdf
15: /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n2u_d3x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n2v_jt5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n2y_tef.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n31_fca.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n33_aes.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n36_gla.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n3g_935.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n45_3n3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n45_zol.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3n46_3n5.sdf
190: ok 1 # correct ring bond data
190: ok 2 # correct ring bond data
190: ok 3 # correct ring bond data
190: ok 4 # correct ring bond data
190: ok 5 # correct ring bond data
190: ok 6 # correct ring bond data
190: ok 7 # correct ring bond data
190: ok 8 # correct ring bond data
190: ok 9 # correct ring bond data
190: ok 10 # correct ring bond data
190: ok 11 # correct ring bond data
190: ok 12 # correct ring bond data
190: ok 13 # correct ring bond data
190: ok 14 # SSSR size matches reference
190: ok 15 # correct SSSR count
190: ok 16 # ring membership passed
190: ok 17 # correct SSSR count
190: ok 18 # ring membership passed
190: ok 19 # correct SSSR count
190: ok 20 # ring membership passed
190: ok 21 # correct SSSR count
190: ok 22 # ring membership passed
190: ok 23 # correct SSSR count
190: ok 24 # ring membership passed
190: ok 25 # correct SSSR count
190: ok 26 # ring membership passed
190: ok 27 # correct SSSR count
190: ok 28 # ring membership passed
190: ok 29 # correct SSSR count
190: ok 30 # ring membership passed
190: ok 31 # correct SSSR count
190: ok 32 # ring membership passed
190: ok 33 # correct SSSR count
190: ok 34 # ring membership passed
190: ok 35 # correct SSSR count
190: ok 36 # ring membership passed
190: ok 37 # correct SSSR count
190: ok 38 # ring membership passed
190: ok 39 # correct ring bond data
190: ok 40 # correct ring bond data
190: ok 41 # correct ring bond data
190: ok 42 # correct ring bond data
190: ok 43 # correct ring bond data
190: ok 44 # correct ring bond data
190: ok 45 # correct ring bond data
190: ok 46 # correct ring bond data
190: ok 47 # correct ring bond data
190: ok 48 # correct ring bond data
190: ok 49 # correct ring bond data
190: ok 50 # correct ring bond data
190: ok 51 # correct ring bond data
190: ok 52 # correct ring bond data
190: ok 53 # correct ring bond data
190: ok 54 # SSSR size matches reference
190: ok 55 # correct SSSR count
190: ok 56 # ring membership passed
190: ok 57 # correct SSSR count
190: ok 58 # ring membership passed
190: ok 59 # correct SSSR count
190: ok 60 # ring membership passed
190: ok 61 # correct SSSR count
190: ok 62 # ring membership passed
190: ok 63 # correct SSSR count
190: ok 64 # ring membership passed
190: ok 65 # correct SSSR count
190: ok 66 # ring membership passed
190: ok 67 # correct SSSR count
190: ok 68 # ring membership passed
190: ok 69 # correct SSSR count
190: ok 70 # ring membership passed
190: ok 71 # correct SSSR count
190: ok 72 # ring membership passed
190: ok 73 # correct SSSR count
190: ok 74 # ring membership passed
190: ok 75 # correct SSSR count
190: ok 76 # ring membership passed
190: ok 77 # correct SSSR count
190: ok 78 # ring membership passed
190: ok 79 # correct SSSR count
190: ok 80 # ring membership passed
190: ok 81 # correct SSSR count
190: ok 82 # ring membership passed
190: ok 83 # correct ring bond data
190: ok 84 # correct ring bond data
190: ok 85 # correct ring bond data
190: ok 86 # correct ring bond data
190: ok 87 # correct ring bond data
190: ok 88 # correct ring bond data
190: ok 89 # correct ring bond data
190: ok 90 # correct ring bond data
190: ok 91 # correct ring bond data
190: ok 92 # correct ring bond data
190: ok 93 # SSSR size matches reference
190: ok 94 # correct SSSR count
190: ok 95 # ring membership passed
190: ok 96 # correct SSSR count
190: ok 97 # ring membership passed
190: ok 98 # correct SSSR count
190: ok 99 # ring membership passed
190: ok 100 # correct SSSR count
190: ok 101 # ring membership passed
190: ok 102 # correct SSSR count
190: ok 103 # ring membership passed
190: ok 104 # correct SSSR count
190: ok 105 # ring membership passed
190: ok 106 # correct SSSR count
190: ok 107 # ring membership passed
190: ok 108 # correct SSSR count
190: ok 109 # ring membership passed
190: ok 110 # correct SSSR count
190: ok 111 # ring membership passed
190: ok 112 # correct SSSR count
190: ok 113 # ring membership passed
190: ok 114 # correct ring bond data
190: ok 115 # correct ring bond data
190: ok 116 # correct ring bond data
190: ok 117 # correct ring bond data
190: ok 118 # correct ring bond data
190: ok 119 # correct ring bond data
190: ok 120 # correct ring bond data
190: ok 121 # correct ring bond data
190: ok 122 # correct ring bond data
190: ok 123 # correct ring bond data
190: ok 124 # correct ring bond data
190: ok 125 # correct ring bond data
190: ok 126 # correct ring bond data
190: ok 127 # correct ring bond data
190: ok 128 # correct ring bond data
190: ok 129 # correct ring bond data
190: ok 130 # correct ring bond data
190: ok 131 # correct ring bond data
190: ok 132 # correct ring bond data
190: ok 133 # correct ring bond data
190: ok 134 # correct ring bond data
190: ok 135 # correct ring bond data
190: ok 136 # correct ring bond data
190: ok 137 # correct ring bond data
190: ok 138 # SSSR size matches reference
190: ok 139 # correct SSSR count
190: ok 140 # ring membership passed
190: ok 141 # correct SSSR count
190: ok 142 # ring membership passed
190: ok 143 # correct SSSR count
190: ok 144 # ring membership passed
190: ok 145 # correct SSSR count
190: ok 146 # ring membership passed
190: ok 147 # correct SSSR count
190: ok 148 # ring membership passed
190: ok 149 # correct SSSR count
190: ok 150 # ring membership passed
190: ok 151 # correct SSSR count
190: ok 152 # ring membership passed
190: ok 153 # correct SSSR count
190: ok 154 # ring membership passed
190: ok 155 # correct SSSR count
190: ok 156 # ring membership passed
190: ok 157 # correct SSSR count
190: ok 158 # ring membership passed
190: ok 159 # correct SSSR count
190: ok 160 # ring membership passed
190: ok 161 # correct SSSR count
190: ok 162 # ring membership passed
190: ok 163 # correct SSSR count
190: ok 164 # ring membership passed
190: ok 165 # correct SSSR count
190: ok 166 # ring membership passed
190: ok 167 # correct SSSR count
190: ok 168 # ring membership passed
190: ok 169 # correct SSSR count
190: ok 170 # ring membership passed
190: ok 171 # correct SSSR count
190: ok 172 # ring membership passed
190: ok 173 # correct SSSR count
190: ok 174 # ring membership passed
190: ok 175 # correct SSSR count
190: ok 176 # ring membership passed
190: ok 177 # correct SSSR count
190: ok 178 # ring membership passed
190: ok 179 # correct SSSR count
190: ok 180 # ring membership passed
190: ok 181 # correct SSSR count
190: ok 182 # ring membership passed
190: ok 183 # correct ring bond data
190: ok 184 # correct ring bond data
190: ok 185 # correct ring bond data
190: ok 186 # correct ring bond data
190: ok 187 # correct ring bond data
190: ok 188 # correct ring bond data
190: ok 189 # correct ring bond data
190: ok 190 # correct ring bond data
190: ok 191 # correct ring bond data
190: ok 192 # correct ring bond data
190: ok 193 # correct ring bond data
190: ok 194 # correct ring bond data
190: ok 195 # correct ring bond data
190: ok 196 # correct ring bond data
190: ok 197 # correct ring bond data
190: ok 198 # correct ring bond data
190: ok 199 # correct ring bond data
190: ok 200 # correct ring bond data
190: ok 201 # correct ring bond data
190: ok 202 # correct ring bond data
190: ok 203 # correct ring bond data
190: ok 204 # correct ring bond data
190: ok 205 # correct ring bond data
190: ok 206 # correct ring bond data
190: ok 207 # SSSR size matches reference
190: ok 208 # correct SSSR count
190: ok 209 # ring membership passed
190: ok 210 # correct SSSR count
190: ok 211 # ring membership passed
190: ok 212 # correct SSSR count
190: ok 213 # ring membership passed
190: ok 214 # correct SSSR count
190: ok 215 # ring membership passed
190: ok 216 # correct SSSR count
190: ok 217 # ring membership passed
190: ok 218 # correct SSSR count
190: ok 219 # ring membership passed
190: ok 220 # correct SSSR count
190: ok 221 # ring membership passed
190: ok 222 # correct SSSR count
190: ok 223 # ring membership passed
190: ok 224 # correct SSSR count
190: ok 225 # ring membership passed
190: ok 226 # correct SSSR count
190: ok 227 # ring membership passed
190: ok 228 # correct SSSR count
190: ok 229 # ring membership passed
190: ok 230 # correct SSSR count
190: ok 231 # ring membership passed
190: ok 232 # correct SSSR count
190: ok 233 # ring membership passed
190: ok 234 # correct SSSR count
190: ok 235 # ring membership passed
190: ok 236 # correct SSSR count
190: ok 237 # ring membership passed
190: ok 238 # correct SSSR count
190: ok 239 # ring membership passed
190: ok 240 # correct SSSR count
190: ok 241 # ring membership passed
190: ok 242 # correct SSSR count
190: ok 243 # ring membership passed
190: ok 244 # correct SSSR count
190: ok 245 # ring membership passed
190: ok 246 # correct SSSR count
190: ok 247 # ring membership passed
190: ok 248 # correct SSSR count
190: ok 249 # ring membership passed
190: ok 250 # correct SSSR count
190: ok 251 # ring membership passed
190: ok 252 # correct ring bond data
190: ok 253 # correct ring bond data
190: ok 254 # correct ring bond data
190: ok 255 # correct ring bond data
190: ok 256 # correct ring bond data
190: ok 257 # correct ring bond data
190: ok 258 # correct ring bond data
190: ok 259 # correct ring bond data
190: ok 260 # correct ring bond data
190: ok 261 # correct ring bond data
190: ok 262 # correct ring bond data
190: ok 263 # correct ring bond data
190: ok 264 # correct ring bond data
190: ok 265 # correct ring bond data
190: ok 266 # correct ring bond data
190: ok 267 # correct ring bond data
190: ok 268 # correct ring bond data
190: ok 269 # correct ring bond data
190: ok 270 # correct ring bond data
190: ok 271 # correct ring bond data
190: ok 272 # correct ring bond data
190: ok 273 # correct ring bond data
190: ok 274 # correct ring bond data
190: ok 275 # correct ring bond data
190: ok 276 # correct ring bond data
190: ok 277 # SSSR size matches reference
190: ok 278 # correct SSSR count
190: ok 279 # ring membership passed
190: ok 280 # correct SSSR count
190: ok 281 # ring membership passed
190: ok 282 # correct SSSR count
190: ok 283 # ring membership passed
190: ok 284 # correct SSSR count
190: ok 285 # ring membership passed
190: ok 286 # correct SSSR count
190: ok 287 # ring membership passed
190: ok 288 # correct SSSR count
190: ok 289 # ring membership passed
190: ok 290 # correct SSSR count
190: ok 291 # ring membership passed
190: ok 292 # correct SSSR count
190: ok 293 # ring membership passed
190: ok 294 # correct SSSR count
190: ok 295 # ring membership passed
190: ok 296 # correct SSSR count
190: ok 297 # ring membership passed
190: ok 298 # correct SSSR count
190: ok 299 # ring membership passed
190: ok 300 # correct SSSR count
190: ok 301 # ring membership passed
190: ok 302 # correct SSSR count
190: ok 303 # ring membership passed
190: ok 304 # correct SSSR count
190: ok 305 # ring membership passed
190: ok 306 # correct SSSR count
190: ok 307 # ring membership passed
190: ok 308 # correct SSSR count
190: ok 309 # ring membership passed
190: ok 310 # correct SSSR count
190: ok 311 # ring membership passed
190: ok 312 # correct SSSR count
190: ok 313 # ring membership passed
190: ok 314 # correct SSSR count
190: ok 315 # ring membership passed
190: ok 316 # correct SSSR count
190: ok 317 # ring membership passed
190: ok 318 # correct SSSR count
190: ok 319 # ring membership passed
190: ok 320 # correct SSSR count
190: ok 321 # ring membership passed
190: ok 322 # correct SSSR count
190: ok 323 # ring membership passed
190: ok 324 # correct ring bond data
190: ok 325 # correct ring bond data
190: ok 326 # correct ring bond data
190: ok 327 # correct ring bond data
190: ok 328 # correct ring bond data
190: ok 329 # correct ring bond data
190: ok 330 # correct ring bond data
190: ok 331 # SSSR size matches reference
190: ok 332 # correct SSSR count
190: ok 333 # ring membership passed
190: ok 334 # correct SSSR count
190: ok 335 # ring membership passed
190: ok 336 # correct SSSR count
190: ok 337 # ring membership passed
190: ok 338 # correct SSSR count
190: ok 339 # ring membership passed
190: ok 340 # correct SSSR count
190: ok 341 # ring membership passed
190: ok 342 # correct SSSR count
190: ok 343 # ring membership passed
190: ok 344 # correct SSSR count
190: ok 345 # ring membership passed
190: ok 346 # correct SSSR count
190: ok 347 # ring membership passed
190: ok 348 # correct ring bond data
190: ok 349 # correct ring bond data
190: ok 350 # correct ring bond data
190: ok 351 # correct ring bond data
190: ok 352 # correct ring bond data
190: ok 353 # correct ring bond data
190: ok 354 # correct ring bond data
190: ok 355 # correct ring bond data
190: ok 356 # correct ring bond data
190: ok 357 # correct ring bond data
190: ok 358 # correct ring bond data
190: ok 359 # correct ring bond data
190: ok 360 # correct ring bond data
190: ok 361 # correct ring bond data
190: ok 362 # correct ring bond data
190: ok 363 # correct ring bond data
190: ok 364 # correct ring bond data
190: ok 365 # correct ring bond data
190: ok 366 # correct ring bond data
190: ok 367 # correct ring bond data
190: ok 368 # correct ring bond data
190: ok 369 # correct ring bond data
190: ok 370 # correct ring bond data
190: ok 371 # SSSR size matches reference
190: ok 372 # correct SSSR count
190: ok 373 # ring membership passed
190: ok 374 # correct SSSR count
190: ok 375 # ring membership passed
190: ok 376 # correct SSSR count
190: ok 377 # ring membership passed
190: ok 378 # correct SSSR count
190: ok 379 # ring membership passed
190: ok 380 # correct SSSR count
190: ok 381 # ring membership passed
190: ok 382 # correct SSSR count
190: ok 383 # ring membership passed
190: ok 384 # correct SSSR count
190: ok 385 # ring membership passed
190: ok 386 # correct SSSR count
190: ok 387 # ring membership passed
190: ok 388 # correct SSSR count
190: ok 389 # ring membership passed
190: ok 390 # correct SSSR count
190: ok 391 # ring membership passed
190: ok 392 # correct SSSR count
190: ok 393 # ring membership passed
190: ok 394 # correct SSSR count
190: ok 395 # ring membership passed
190: ok 396 # correct SSSR count
190: ok 397 # ring membership passed
190: ok 398 # correct SSSR count
190: ok 399 # ring membership passed
190: ok 400 # correct SSSR count
190: ok 401 # ring membership passed
190: ok 402 # correct SSSR count
190: ok 403 # ring membership passed
190: ok 404 # correct SSSR count
190: ok 405 # ring membership passed
190: ok 406 # correct SSSR count
190: ok 407 # ring membership passed
190: ok 408 # correct SSSR count
190: ok 409 # ring membership passed
190: ok 410 # correct SSSR count
190: ok 411 # ring membership passed
190: ok 412 # correct SSSR count
190: ok 413 # ring membership passed
190: ok 414 # correct ring bond data
190: ok 415 # correct ring bond data
190: ok 416 # correct ring bond data
190: ok 417 # correct ring bond data
190: ok 418 # correct ring bond data
190: ok 419 # correct ring bond data
190: ok 420 # correct ring bond data
190: ok 421 # correct ring bond data
190: ok 422 # correct ring bond data
190: ok 423 # correct ring bond data
190: ok 424 # SSSR size matches reference
190: ok 425 # correct SSSR count
190: ok 426 # ring membership passed
190: ok 427 # correct SSSR count
190: ok 428 # ring membership passed
190: ok 429 # correct SSSR count
190: ok 430 # ring membership passed
190: ok 431 # correct SSSR count
190: ok 432 # ring membership passed
190: ok 433 # correct SSSR count
190: ok 434 # ring membership passed
190: ok 435 # correct SSSR count
190: ok 436 # ring membership passed
190: ok 437 # correct SSSR count
190: ok 438 # ring membership passed
190: ok 439 # correct SSSR count
190: ok 440 # ring membership passed
190: ok 441 # correct SSSR count
190: ok 442 # ring membership passed
190: ok 443 # correct SSSR count
190: ok 444 # ring membership passed
190: ok 445 # correct ring bond data
190: ok 446 # correct ring bond data
190: ok 447 # correct ring bond data
190: ok 448 # correct ring bond data
190: ok 449 # correct ring bond data
190: ok 450 # correct ring bond data
190: ok 451 # correct ring bond data
190: ok 452 # correct ring bond data
190: ok 453 # correct ring bond data
190: ok 454 # correct ring bond data
190: ok 455 # correct ring bond data
190: ok 456 # correct ring bond data
190: ok 457 # correct ring bond data
190: ok 458 # correct ring bond data
190: ok 459 # SSSR size matches reference
190: ok 460 # correct SSSR count
190: ok 461 # ring membership passed
190: ok 462 # correct SSSR count
190: ok 463 # ring membership passed
190: ok 464 # correct SSSR count
190: ok 465 # ring membership passed
190: ok 466 # correct SSSR count
190: ok 467 # ring membership passed
190: ok 468 # correct SSSR count
190: ok 469 # ring membership passed
190: ok 470 # correct SSSR count
190: ok 471 # ring membership passed
190: ok 472 # correct SSSR count
190: ok 473 # ring membership passed
190: ok 474 # correct SSSR count
190: ok 475 # ring membership passed
190: ok 476 # correct SSSR count
190: ok 477 # ring membership passed
190: ok 478 # correct SSSR count
190: ok 479 # ring membership passed
190: ok 480 # correct SSSR count
190: ok 481 # ring membership passed
190: ok 482 # correct SSSR count
190: ok 483 # ring membership passed
190: ok 484 # correct SSSR count
190: ok 485 # ring membership passed
190: ok 486 # correct ring bond data
190: ok 487 # correct ring bond data
190: ok 488 # correct ring bond data
190: ok 489 # correct ring bond data
190: ok 490 # correct ring bond data
190: ok 491 # correct ring bond data
190: ok 492 # correct ring bond data
190: ok 493 # correct ring bond data
190: ok 494 # correct ring bond data
190: ok 495 # correct ring bond data
190: ok 496 # correct ring bond data
190: ok 497 # correct ring bond data
190: ok 498 # correct ring bond data
190: ok 499 # correct ring bond data
190: ok 500 # correct ring bond data
190: ok 501 # correct ring bond data
190: ok 502 # SSSR size matches reference
190: ok 503 # correct SSSR count
190: ok 504 # ring membership passed
190: ok 505 # correct SSSR count
190: ok 506 # ring membership passed
190: ok 507 # correct SSSR count
190: ok 508 # ring membership passed
190: ok 509 # correct SSSR count
190: ok 510 # ring membership passed
190: ok 511 # correct SSSR count
190: ok 512 # ring membership passed
190: ok 513 # correct SSSR count
190: ok 514 # ring membership passed
190: ok 515 # correct SSSR count
190: ok 516 # ring membership passed
190: ok 517 # correct SSSR count
190: ok 518 # ring membership passed
190: ok 519 # correct SSSR count
190: ok 520 # ring membership passed
190: ok 521 # correct SSSR count
190: ok 522 # ring membership passed
190: ok 523 # correct SSSR count
190: ok 524 # ring membership passed
190: ok 525 # correct SSSR count
190: ok 526 # ring membership passed
190: ok 527 # correct SSSR count
190: ok 528 # ring membership passed
190: ok 529 # correct SSSR count
190: ok 530 # ring membership passed
190: ok 531 # correct SSSR count
190: ok 532 # ring membership passed
190: ok 533 # correct ring bond data
190: ok 534 # correct ring bond data
190: ok 535 # correct ring bond data
190: ok 536 # correct ring bond data
190: ok 537 # correct ring bond data
190: ok 538 # correct ring bond data
190: ok 539 # correct ring bond data
190: ok 540 # correct ring bond data
190: ok 541 # correct ring bond data
190: ok 542 # correct ring bond data
190: ok 543 # correct ring bond data
190: ok 544 # correct ring bond data
190: ok 545 # correct ring bond data
190: ok 546 # correct ring bond data
190: ok 547 # correct ring bond data
190: ok 548 # SSSR size matches reference
190: ok 549 # correct SSSR count
190: ok 550 # ring membership passed
190: ok 551 # correct SSSR count
190: ok 552 # ring membership passed
190: ok 553 # correct SSSR count
190: ok 554 # ring membership passed
190: ok 555 # correct SSSR count
190: ok 556 # ring membership passed
190: ok 557 # correct SSSR count
190: ok 558 # ring membership passed
190: ok 559 # correct SSSR count
190: ok 560 # ring membership passed
190: ok 561 # correct SSSR count
190: ok 562 # ring membership passed
190: ok 563 # correct SSSR count
190: ok 564 # ring membership passed
190: ok 565 # correct SSSR count
190: ok 566 # ring membership passed
190: ok 567 # correct SSSR count
190: ok 568 # ring membership passed
190: ok 569 # correct SSSR count
190: ok 570 # ring membership passed
190: ok 571 # correct SSSR count
190: ok 572 # ring membership passed
190: ok 573 # correct SSSR count
190: ok 574 # ring membership passed
190: ok 575 # correct SSSR count
190: ok 576 # ring membership passed
190: ok 577 # correct ring bond data
190: ok 578 # correct ring bond data
190: ok 579 # correct ring bond data
190: ok 580 # correct ring bond data
190: ok 581 # correct ring bond data
190: ok 582 # correct ring bond data
190: ok 583 # correct ring bond data
190: ok 584 # correct ring bond data
190: ok 585 # correct ring bond data
190: ok 586 # correct ring bond data
190: ok 587 # correct ring bond data
190: ok 588 # correct ring bond data
190: ok 589 # correct ring bond data
190: ok 590 # correct ring bond data
190: ok 591 # correct ring bond data
190: ok 592 # correct ring bond data
190: ok 593 # SSSR size matches reference
190: ok 594 # correct SSSR count
190: ok 595 # ring membership passed
190: ok 596 # correct SSSR count
190: ok 597 # ring membership passed
190: ok 598 # correct SSSR count
190: ok 599 # ring membership passed
190: ok 600 # correct SSSR count
190: ok 601 # ring membership passed
190: ok 602 # correct SSSR count
190: ok 603 # ring membership passed
190: ok 604 # correct SSSR count
190: ok 605 # ring membership passed
190: ok 606 # correct SSSR count
190: ok 607 # ring membership passed
190: ok 608 # correct SSSR count
190: ok 609 # ring membership passed
190: ok 610 # correct SSSR count
190: ok 611 # ring membership passed
190: ok 612 # correct SSSR count
190: ok 613 # ring membership passed
190: ok 614 # correct SSSR count
190: ok 615 # ring membership passed
190: ok 616 # correct SSSR count
190: ok 617 # ring membership passed
190: ok 618 # correct SSSR count
190: ok 619 # ring membership passed
190: ok 620 # correct SSSR count
190: ok 621 # ring membership passed
190: ok 622 # correct SSSR count
190: ok 623 # ring membership passed
190: ok 624 # correct ring bond data
190: ok 625 # correct ring bond data
190: ok 626 # correct ring bond data
190: ok 627 # correct ring bond data
190: ok 628 # correct ring bond data
190: ok 629 # correct ring bond data
190: ok 630 # correct ring bond data
190: ok 631 # correct ring bond data
190: ok 632 # correct ring bond data
190: ok 633 # correct ring bond data
190: ok 634 # correct ring bond data
190: ok 635 # correct ring bond data
190: ok 636 # correct ring bond data
190: ok 637 # correct ring bond data
190: ok 638 # correct ring bond data
190: ok 639 # correct ring bond data
190: ok 640 # correct ring bond data
190: ok 641 # SSSR size matches reference
190: ok 642 # correct SSSR count
190: ok 643 # ring membership passed
190: ok 644 # correct SSSR count
190: ok 645 # ring membership passed
190: ok 646 # correct SSSR count
190: ok 647 # ring membership passed
190: ok 648 # correct SSSR count
190: ok 649 # ring membership passed
190: ok 650 # correct SSSR count
190: ok 651 # ring membership passed
190: ok 652 # correct SSSR count
190: ok 653 # ring membership passed
190: ok 654 # correct SSSR count
190: ok 655 # ring membership passed
190: ok 656 # correct SSSR count
190: ok 657 # ring membership passed
190: ok 658 # correct SSSR count
190: ok 659 # ring membership passed
190: ok 660 # correct SSSR count
190: ok 661 # ring membership passed
190: ok 662 # correct SSSR count
190: ok 663 # ring membership passed
190: ok 664 # correct SSSR count
190: ok 665 # ring membership passed
190: ok 666 # correct SSSR count
190: ok 667 # ring membership passed
190: ok 668 # correct SSSR count
190: ok 669 # ring membership passed
190: ok 670 # correct SSSR count
190: ok 671 # ring membership passed
190: ok 672 # correct SSSR count
190: ok 673 # ring membership passed
190: ok 674 # correct ring bond data
190: ok 675 # correct ring bond data
190: ok 676 # correct ring bond data
190: ok 677 # correct ring bond data
190: ok 678 # correct ring bond data
190: ok 679 # correct ring bond data
190: ok 680 # correct ring bond data
190: ok 681 # correct ring bond data
190: ok 682 # correct ring bond data
190: ok 683 # correct ring bond data
190: ok 684 # correct ring bond data
190: ok 685 # correct ring bond data
190: ok 686 # correct ring bond data
190: ok 687 # correct ring bond data
190: ok 688 # correct ring bond data
190: ok 689 # correct ring bond data
190: ok 690 # correct ring bond data
190: ok 691 # correct ring bond data
190: ok 692 # correct ring bond data
190: ok 693 # SSSR size matches reference
190: ok 694 # correct SSSR count
190: ok 695 # ring membership passed
190: ok 696 # correct SSSR count
190: ok 697 # ring membership passed
190: ok 698 # correct SSSR count
190: ok 699 # ring membership passed
190: ok 700 # correct SSSR count
190: ok 701 # ring membership passed
190: ok 702 # correct SSSR count
190: ok 703 # ring membership passed
190: ok 704 # correct SSSR count
190: ok 705 # ring membership passed
190: ok 706 # correct SSSR count
190: ok 707 # ring membership passed
190: ok 708 # correct SSSR count
190: ok 709 # ring membership passed
190: ok 710 # correct SSSR count
190: ok 711 # ring membership passed
190: ok 712 # correct SSSR count
190: ok 713 # ring membership passed
190: ok 714 # correct SSSR count
190: ok 715 # ring membership passed
190: ok 716 # correct SSSR count
190: ok 717 # ring membership passed
190: ok 718 # correct SSSR count
190: ok 719 # ring membership passed
190: ok 720 # correct SSSR count
190: ok 721 # ring membership passed
190: ok 722 # correct SSSR count
190: ok 723 # ring membership passed
190: ok 724 # correct SSSR count
190: ok 725 # ring membership passed
190: ok 726 # correct SSSR count
190: ok 727 # ring membership passed
190: ok 728 # correct SSSR count
190: ok 729 # ring membership passed
190: ok 730 # correct ring bond data
190: ok 731 # correct ring bond data
190: ok 732 # correct ring bond data
190: ok 733 # correct ring bond data
190: ok 734 # correct ring bond data
190: ok 735 # correct ring bond data
190: ok 736 # correct ring bond data
190: ok 737 # correct ring bond data
190: ok 738 # correct ring bond data
190: ok 739 # correct ring bond data
190: ok 740 # correct ring bond data
190: ok 741 # correct ring bond data
190: ok 742 # correct ring bond data
190: ok 743 # correct ring bond data
190: ok 744 # correct ring bond data
190: ok 745 # correct ring bond data
190: ok 746 # SSSR size matches reference
190: ok 747 # correct SSSR count
190: ok 748 # ring membership passed
190: ok 749 # correct SSSR count
190: ok 750 # ring membership passed
190: ok 751 # correct SSSR count
190: ok 752 # ring membership passed
190: ok 753 # correct SSSR count
190: ok 754 # ring membership passed
190: ok 755 # correct SSSR count
190: ok 756 # ring membership passed
190: ok 757 # correct SSSR count
190: ok 758 # ring membership passed
190: ok 759 # correct SSSR count
190: ok 760 # ring membership passed
190: ok 761 # correct SSSR count
190: ok 762 # ring membership passed
190: ok 763 # correct SSSR count
190: ok 764 # ring membership passed
190: ok 765 # correct SSSR count
190: ok 766 # ring membership passed
190: ok 767 # correct SSSR count
190: ok 768 # ring membership passed
190: ok 769 # correct SSSR count
190: ok 770 # ring membership passed
190: ok 771 # correct SSSR count
190: ok 772 # ring membership passed
190: ok 773 # correct SSSR count
190: ok 774 # ring membership passed
190: ok 775 # correct SSSR count
190: ok 776 # ring membership passed
190: ok 777 # correct ring bond data
190: ok 778 # correct ring bond data
190: ok 779 # correct ring bond data
190: ok 780 # correct ring bond data
190: ok 781 # correct ring bond data
190: ok 782 # correct ring bond data
190: ok 783 # correct ring bond data
190: ok 784 # correct ring bond data
190: ok 785 # correct ring bond data
190: ok 786 # correct ring bond data
190: ok 787 # correct ring bond data
190: ok 788 # correct ring bond data
190: ok 789 # correct ring bond data
190: ok 790 # correct ring bond data
190: ok 791 # correct ring bond data
190: ok 792 # correct ring bond data
190: ok 793 # correct ring bond data
190: ok 794 # SSSR size matches reference
190: ok 795 # correct SSSR count
190: ok 796 # ring membership passed
190: ok 797 # correct SSSR count
190: ok 798 # ring membership passed
190: ok 799 # correct SSSR count
190: ok 800 # ring membership passed
190: ok 801 # correct SSSR count
190: ok 802 # ring membership passed
190: ok 803 # correct SSSR count
190: ok 804 # ring membership passed
190: ok 805 # correct SSSR count
190: ok 806 # ring membership passed
190: ok 807 # correct SSSR count
190: ok 808 # ring membership passed
190: ok 809 # correct SSSR count
190: ok 810 # ring membership passed
190: ok 811 # correct SSSR count
190: ok 812 # ring membership passed
190: ok 813 # correct SSSR count
190: ok 814 # ring membership passed
190: ok 815 # correct SSSR count
190: ok 816 # ring membership passed
190: ok 817 # correct SSSR count
190: ok 818 # ring membership passed
190: ok 819 # correct SSSR count
190: ok 820 # ring membership passed
190: ok 821 # correct SSSR count
190: ok 822 # ring membership passed
190: ok 823 # correct SSSR count
190: ok 824 # ring membership passed
190: ok 825 # correct SSSR count
190: ok 826 # ring membership passed
190: ok 827 # correct ring bond data
190: ok 828 # correct ring bond data
190: ok 829 # correct ring bond data
190: ok 830 # correct ring bond data
190: ok 831 # correct ring bond data
190: ok 832 # correct ring bond data
190: ok 833 # correct ring bond data
190: ok 834 # correct ring bond data
190: ok 835 # correct ring bond data
190: ok 836 # correct ring bond data
190: ok 837 # correct ring bond data
190: ok 838 # correct ring bond data
190: ok 839 # correct ring bond data
190: ok 840 # correct ring bond data
190: ok 841 # correct ring bond data
190: ok 842 # correct ring bond data
190: ok 843 # correct ring bond data
190: ok 844 # correct ring bond data
190: ok 845 # correct ring bond data
190: ok 846 # correct ring bond data
190: ok 847 # correct ring bond data
190: ok 848 # correct ring bond data
190: ok 849 # SSSR size matches reference
190: ok 850 # correct SSSR count
190: ok 851 # ring membership passed
190: ok 852 # correct SSSR count
190: ok 853 # ring membership passed
190: ok 854 # correct SSSR count
190: ok 855 # ring membership passed
190: ok 856 # correct SSSR count
190: ok 857 # ring membership passed
190: ok 858 # correct SSSR count
190: ok 859 # ring membership passed
190: ok 860 # correct SSSR count
190: ok 861 # ring membership passed
190: ok 862 # correct SSSR count
190: ok 863 # ring membership passed
190: ok 864 # correct SSSR count
190: ok 865 # ring membership passed
190: ok 866 # correct SSSR count
190: ok 867 # ring membership passed
190: ok 868 # correct SSSR count
190: ok 869 # ring membership passed
190: ok 870 # correct SSSR count
190: ok 871 # ring membership passed
190: ok 872 # correct SSSR count
190: ok 873 # ring membership passed
190: ok 874 # correct SSSR count
190: ok 875 # ring membership passed
190: ok 876 # correct SSSR count
190: ok 877 # ring membership passed
190: ok 878 # correct SSSR count
190: ok 879 # ring membership passed
190: ok 880 # correct SSSR count
190: ok 881 # ring membership passed
190: ok 882 # correct SSSR count
190: ok 883 # ring membership passed
190: ok 884 # correct SSSR count
190: ok 885 # ring membership passed
190: ok 886 # correct SSSR count
190: ok 887 # ring membership passed
190: ok 888 # correct SSSR count
190: ok 889 # ring membership passed
190: ok 890 # correct ring bond data
190: ok 891 # correct ring bond data
190: ok 892 # correct ring bond data
190: ok 893 # correct ring bond data
190: ok 894 # correct ring bond data
190: ok 895 # correct ring bond data
190: ok 896 # correct ring bond data
190: ok 897 # correct ring bond data
190: ok 898 # correct ring bond data
190: ok 899 # correct ring bond data
190: ok 900 # correct ring bond data
190: ok 901 # correct ring bond data
190: ok 902 # correct ring bond data
190: ok 903 # correct ring bond data
190: ok 904 # correct ring bond data
190: ok 905 # correct ring bond data
190: ok 906 # correct ring bond data
190: ok 907 # correct ring bond data
190: ok 908 # correct ring bond data
190: ok 909 # correct ring bond data
190: ok 910 # correct ring bond data
190: ok 911 # correct ring bond data
190: ok 912 # correct ring bond data
190: ok 913 # SSSR size matches reference
190: ok 914 # correct SSSR count
190: ok 915 # ring membership passed
190: ok 916 # correct SSSR count
190: ok 917 # ring membership passed
190: ok 918 # correct SSSR count
190: ok 919 # ring membership passed
190: ok 920 # correct SSSR count
190: ok 921 # ring membership passed
190: ok 922 # correct SSSR count
190: ok 923 # ring membership passed
190: ok 924 # correct SSSR count
190: ok 925 # ring membership passed
190: ok 926 # correct SSSR count
190: ok 927 # ring membership passed
190: ok 928 # correct SSSR count
190: ok 929 # ring membership passed
190: ok 930 # correct SSSR count
190: ok 931 # ring membership passed
190: ok 932 # correct SSSR count
190: ok 933 # ring membership passed
190: ok 934 # correct SSSR count
190: ok 935 # ring membership passed
190: ok 936 # correct SSSR count
190: ok 937 # ring membership passed
190: ok 938 # correct SSSR count
190: ok 939 # ring membership passed
190: ok 940 # correct SSSR count
190: ok 941 # ring membership passed
190: ok 942 # correct SSSR count
190: ok 943 # ring membership passed
190: ok 944 # correct SSSR count
190: ok 945 # ring membership passed
190: ok 946 # correct SSSR count
190: ok 947 # ring membership passed
190: ok 948 # correct SSSR count
190: ok 949 # ring membership passed
190: ok 950 # correct SSSR count
190: ok 951 # ring membership passed
190: ok 952 # correct SSSR count
190: ok 953 # ring membership passed
190: ok 954 # correct SSSR count
190: ok 955 # ring membership passed
190: ok 956 # correct ring bond data
190: ok 957 # correct ring bond data
190: ok 958 # correct ring bond data
190: ok 959 # correct ring bond data
190: ok 960 # correct ring bond data
190: ok 961 # correct ring bond data
190: ok 962 # correct ring bond data
190: ok 963 # correct ring bond data
190: ok 964 # correct ring bond data
190: ok 965 # correct ring bond data
190: ok 966 # correct ring bond data
190: ok 967 # correct ring bond data
190: ok 968 # correct ring bond data
190: ok 969 # correct ring bond data
190: ok 970 # correct ring bond data
190: ok 971 # correct ring bond data
190: ok 972 # correct ring bond data
190: ok 973 # correct ring bond data
190: ok 974 # correct ring bond data
190: ok 975 # correct ring bond data
190: ok 976 # correct ring bond data
190: ok 977 # correct ring bond data
190: ok 978 # correct ring bond data
190: ok 979 # SSSR size matches reference
190: ok 980 # correct SSSR count
190: ok 981 # ring membership passed
190: ok 982 # correct SSSR count
190: ok 983 # ring membership passed
190: ok 984 # correct SSSR count
190: ok 985 # ring membership passed
190: ok 986 # correct SSSR count
190: ok 987 # ring membership passed
190: ok 988 # correct SSSR count
190: ok 989 # ring membership passed
190: ok 990 # correct SSSR count
190: ok 991 # ring membership passed
190: ok 992 # correct SSSR count
190: ok 993 # ring membership passed
190: ok 994 # correct SSSR count
190: ok 995 # ring membership passed
190: ok 996 # correct SSSR count
190: ok 997 # ring membership passed
190: ok 998 # correct SSSR count
190: ok 999 # ring membership passed
190: ok 1000 # correct SSSR count
190: ok 1001 # ring membership passed
190: ok 1002 # correct SSSR count
190: ok 1003 # ring membership passed
190: ok 1004 # correct SSSR count
190: ok 1005 # ring membership passed
190: ok 1006 # correct SSSR count
190: ok 1007 # ring membership passed
190: ok 1008 # correct SSSR count
190: ok 1009 # ring membership passed
190: ok 1010 # correct SSSR count
190: ok 1011 # ring membership passed
190: ok 1012 # correct SSSR count
190: ok 1013 # ring membership passed
190: ok 1014 # correct SSSR count
190: ok 1015 # ring membership passed
190: ok 1016 # correct SSSR count
190: ok 1017 # ring membership passed
190: ok 1018 # correct SSSR count
190: ok 1019 # ring membership passed
190: ok 1020 # correct SSSR count
190: ok 1021 # ring membership passed
190: ok 1022 # correct ring bond data
190: ok 1023 # correct ring bond data
190: ok 1024 # correct ring bond data
190: ok 1025 # correct ring bond data
190: ok 1026 # correct ring bond data
190: ok 1027 # correct ring bond data
190: ok 1028 # correct ring bond data
190: ok 1029 # correct ring bond data
190: ok 1030 # correct ring bond data
190: ok 1031 # correct ring bond data
190: ok 1032 # correct ring bond data
190: ok 1033 # correct ring bond data
190: ok 1034 # correct ring bond data
190: ok 1035 # correct ring bond data
190: ok 1036 # correct ring bond data
190: ok 1037 # correct ring bond data
190: ok 1038 # correct ring bond data
190: ok 1039 # correct ring bond data
190: ok 1040 # correct ring bond data
190: ok 1041 # correct ring bond data
190: ok 1042 # correct ring bond data
190: ok 1043 # correct ring bond data
190: ok 1044 # correct ring bond data
190: ok 1045 # SSSR size matches reference
190: ok 1046 # correct SSSR count
190: ok 1047 # ring membership passed
190: ok 1048 # correct SSSR count
190: ok 1049 # ring membership passed
190: ok 1050 # correct SSSR count
190: ok 1051 # ring membership passed
190: ok 1052 # correct SSSR count
190: ok 1053 # ring membership passed
190: ok 1054 # correct SSSR count
190: ok 1055 # ring membership passed
190: ok 1056 # correct SSSR count
190: ok 1057 # ring membership passed
190: ok 1058 # correct SSSR count
190: ok 1059 # ring membership passed
190: ok 1060 # correct SSSR count
190: ok 1061 # ring membership passed
190: ok 1062 # correct SSSR count
190: ok 1063 # ring membership passed
190: ok 1064 # correct SSSR count
190: ok 1065 # ring membership passed
190: ok 1066 # correct SSSR count
190: ok 1067 # ring membership passed
190: ok 1068 # correct SSSR count
190: ok 1069 # ring membership passed
190: ok 1070 # correct SSSR count
190: ok 1071 # ring membership passed
190: ok 1072 # correct SSSR count
190: ok 1073 # ring membership passed
190: ok 1074 # correct SSSR count
190: ok 1075 # ring membership passed
190: ok 1076 # correct SSSR count
190: ok 1077 # ring membership passed
190: ok 1078 # correct SSSR count
190: ok 1079 # ring membership passed
190: ok 1080 # correct SSSR count
190: ok 1081 # ring membership passed
190: ok 1082 # correct SSSR count
190: ok 1083 # ring membership passed
190: ok 1084 # correct SSSR count
190: ok 1085 # ring membership passed
190: ok 1086 # correct SSSR count
190: ok 1087 # ring membership passed
190: ok 1088 # correct ring bond data
190: ok 1089 # correct ring bond data
190: ok 1090 # correct ring bond data
190: ok 1091 # correct ring bond data
190: ok 1092 # correct ring bond data
190: ok 1093 # correct ring bond data
190: ok 1094 # correct ring bond data
190: ok 1095 # correct ring bond data
190: ok 1096 # correct ring bond data
190: ok 1097 # correct ring bond data
190: ok 1098 # correct ring bond data
190: ok 1099 # correct ring bond data
190: ok 1100 # correct ring bond data
190: ok 1101 # correct ring bond data
190: ok 1102 # correct ring bond data
190: ok 1103 # correct ring bond data
190: ok 1104 # correct ring bond data
190: ok 1105 # correct ring bond data
190: ok 1106 # SSSR size matches reference
190: ok 1107 # correct SSSR count
190: ok 1108 # ring membership passed
190: ok 1109 # correct SSSR count
190: ok 1110 # ring membership passed
190: ok 1111 # correct SSSR count
190: ok 1112 # ring membership passed
190: ok 1113 # correct SSSR count
190: ok 1114 # ring membership passed
190: ok 1115 # correct SSSR count
190: ok 1116 # ring membership passed
190: ok 1117 # correct SSSR count
190: ok 1118 # ring membership passed
190: ok 1119 # correct SSSR count
190: ok 1120 # ring membership passed
190: ok 1121 # correct SSSR count
190: ok 1122 # ring membership passed
190: ok 1123 # correct SSSR count
190: ok 1124 # ring membership passed
190: ok 1125 # correct SSSR count
190: ok 1126 # ring membership passed
190: ok 1127 # correct SSSR count
190: ok 1128 # ring membership passed
190: ok 1129 # correct SSSR count
190: ok 1130 # ring membership passed
190: ok 1131 # correct SSSR count
190: ok 1132 # ring membership passed
190: ok 1133 # correct SSSR count
190: ok 1134 # ring membership passed
190: ok 1135 # correct SSSR count
190: ok 1136 # ring membership passed
190: ok 1137 # correct SSSR count
190: ok 1138 # ring membership passed
190: ok 1139 # correct ring bond data
190: ok 1140 # correct ring bond data
190: ok 1141 # correct ring bond data
190: ok 1142 # correct ring bond data
190: ok 1143 # correct ring bond data
190: ok 1144 # correct ring bond data
190: ok 1145 # correct ring bond data
190: ok 1146 # correct ring bond data
190: ok 1147 # correct ring bond data
190: ok 1148 # correct ring bond data
190: ok 1149 # correct ring bond data
190: ok 1150 # correct ring bond data
190: ok 1151 # correct ring bond data
190: ok 1152 # correct ring bond data
190: ok 1153 # correct ring bond data
190: ok 1154 # correct ring bond data
190: ok 1155 # correct ring bond data
190: ok 1156 # correct ring bond data
190: ok 1157 # correct ring bond data
190: ok 1158 # correct ring bond data
190: ok 1159 # SSSR size matches reference
190: ok 1160 # correct SSSR count
190: ok 1161 # ring membership passed
190: ok 1162 # correct SSSR count
190: ok 1163 # ring membership passed
190: ok 1164 # correct SSSR count
190: ok 1165 # ring membership passed
190: ok 1166 # correct SSSR count
190: ok 1167 # ring membership passed
190: ok 1168 # correct SSSR count
190: ok 1169 # ring membership passed
190: ok 1170 # correct SSSR count
190: ok 1171 # ring membership passed
190: ok 1172 # correct SSSR count
190: ok 1173 # ring membership passed
190: ok 1174 # correct SSSR count
190: ok 1175 # ring membership passed
190: ok 1176 # correct SSSR count
190: ok 1177 # ring membership passed
190: ok 1178 # correct SSSR count
190: ok 1179 # ring membership passed
190: ok 1180 # correct SSSR count
190: ok 1181 # ring membership passed
190: ok 1182 # correct SSSR count
190: ok 1183 # ring membership passed
190: ok 1184 # correct SSSR count
190: ok 1185 # ring membership passed
190: ok 1186 # correct SSSR count
190: ok 1187 # ring membership passed
190: ok 1188 # correct SSSR count
190: ok 1189 # ring membership passed
190: ok 1190 # correct SSSR count
190: ok 1191 # ring membership passed
190: ok 1192 # correct SSSR count
190: ok 1193 # ring membership passed
190: ok 1194 # correct SSSR count
190: ok 1195 # ring membership passed
190: ok 1196 # correct ring bond data
190: ok 1197 # correct ring bond data
190: ok 1198 # correct ring bond data
190: ok 1199 # correct ring bond data
190: ok 1200 # correct ring bond data
190: ok 1201 # correct ring bond data
190: ok 1202 # correct ring bond data
190: ok 1203 # correct ring bond data
190: ok 1204 # correct ring bond data
190: ok 1205 # correct ring bond data
190: ok 1206 # SSSR size matches reference
190: ok 1207 # correct SSSR count
190: ok 1208 # ring membership passed
190: ok 1209 # correct SSSR count
190: ok 1210 # ring membership passed
190: ok 1211 # correct SSSR count
190: ok 1212 # ring membership passed
190: ok 1213 # correct SSSR count
190: ok 1214 # ring membership passed
190: ok 1215 # correct SSSR count
190: ok 1216 # ring membership passed
190: ok 1217 # correct SSSR count
190: ok 1218 # ring membership passed
190: ok 1219 # correct SSSR count
190: ok 1220 # ring membership passed
190: ok 1221 # correct SSSR count
190: ok 1222 # ring membership passed
190: ok 1223 # correct SSSR count
190: ok 1224 # ring membership passed
190: ok 1225 # correct SSSR count
190: ok 1226 # ring membership passed
190: ok 1227 # correct SSSR count
190: ok 1228 # ring membership passed
190: ok 1229 # correct ring bond data
190: ok 1230 # correct ring bond data
190: ok 1231 # correct ring bond data
190: ok 1232 # correct ring bond data
190: ok 1233 # correct ring bond data
190: ok 1234 # correct ring bond data
190: ok 1235 # correct ring bond data
190: ok 1236 # correct ring bond data
190: ok 1237 # correct ring bond data
190: ok 1238 # correct ring bond data
190: ok 1239 # correct ring bond data
190: ok 1240 # correct ring bond data
190: ok 1241 # correct ring bond data
190: ok 1242 # correct ring bond data
190: ok 1243 # correct ring bond data
190: ok 1244 # correct ring bond data
190: ok 1245 # correct ring bond data
190: ok 1246 # correct ring bond data
190: ok 1247 # correct ring bond data
190: ok 1248 # correct ring bond data
190: ok 1249 # correct ring bond data
190: ok 1250 # correct ring bond data
190: ok 1251 # SSSR size matches reference
190: ok 1252 # correct SSSR count
190: ok 1253 # ring membership passed
190: ok 1254 # correct SSSR count
190: ok 1255 # ring membership passed
190: ok 1256 # correct SSSR count
190: ok 1257 # ring membership passed
190: ok 1258 # correct SSSR count
190: ok 1259 # ring membership passed
190: ok 1260 # correct SSSR count
190: ok 1261 # ring membership passed
190: ok 1262 # correct SSSR count
190: ok 1263 # ring membership passed
190: ok 1264 # correct SSSR count
190: ok 1265 # ring membership passed
190: ok 1266 # correct SSSR count
190: ok 1267 # ring membership passed
190: ok 1268 # correct SSSR count
190: ok 1269 # ring membership passed
190: ok 1270 # correct SSSR count
190: ok 1271 # ring membership passed
190: ok 1272 # correct SSSR count
190: ok 1273 # ring membership passed
190: ok 1274 # correct SSSR count
190: ok 1275 # ring membership passed
190: ok 1276 # correct SSSR count
190: ok 1277 # ring membership passed
190: ok 1278 # correct SSSR count
190: ok 1279 # ring membership passed
190: ok 1280 # correct SSSR count
190: ok 1281 # ring membership passed
190: ok 1282 # correct SSSR count
190: ok 1283 # ring membership passed
190: ok 1284 # correct SSSR count
190: ok 1285 # ring membership passed
190: ok 1286 # correct SSSR count
190: ok 1287 # ring membership passed
190: ok 1288 # correct SSSR count
190: ok 1289 # ring membership passed
190: ok 1290 # correct SSSR count
190: ok 1291 # ring membership passed
190: ok 1292 # correct ring bond data
190: ok 1293 # correct ring bond data
190: ok 1294 # correct ring bond data
190: ok 1295 # correct ring bond data
190: ok 1296 # correct ring bond data
190: ok 1297 # correct ring bond data
190: ok 1298 # correct ring bond data
190: ok 1299 # correct ring bond data
190: ok 1300 # correct ring bond data
190: ok 1301 # correct ring bond data
190: ok 1302 # correct ring bond data
190: ok 1303 # correct ring bond data
190: ok 1304 # correct ring bond data
190: ok 1305 # correct ring bond data
190: ok 1306 # SSSR size matches reference
190: ok 1307 # correct SSSR count
190: ok 1308 # ring membership passed
190: ok 1309 # correct SSSR count
190: ok 1310 # ring membership passed
190: ok 1311 # correct SSSR count
190: ok 1312 # ring membership passed
190: ok 1313 # correct SSSR count
190: ok 1314 # ring membership passed
190: ok 1315 # correct SSSR count
190: ok 1316 # ring membership passed
190: ok 1317 # correct SSSR count
190: ok 1318 # ring membership passed
190: ok 1319 # correct SSSR count
190: ok 1320 # ring membership passed
190: ok 1321 # correct SSSR count
190: ok 1322 # ring membership passed
190: ok 1323 # correct SSSR count
190: ok 1324 # ring membership passed
190: ok 1325 # correct SSSR count
190: ok 1326 # ring membership passed
190: ok 1327 # correct SSSR count
190: ok 1328 # ring membership passed
190: ok 1329 # correct SSSR count
190: ok 1330 # ring membership passed
190: ok 1331 # correct SSSR count
190: ok 1332 # ring membership passed
190: ok 1333 # correct ring bond data
190: ok 1334 # correct ring bond data
190: ok 1335 # correct ring bond data
190: ok 1336 # correct ring bond data
190: ok 1337 # correct ring bond data
190: ok 1338 # correct ring bond data
190: ok 1339 # correct ring bond data
190: ok 1340 # correct ring bond data
190: ok 1341 # correct ring bond data
190: ok 1342 # correct ring bond data
190: ok 1343 # correct ring bond data
190: ok 1344 # correct ring bond data
190: ok 1345 # correct ring bond data
190: ok 1346 # correct ring bond data
190: ok 1347 # correct ring bond data
190: ok 1348 # correct ring bond data
190: ok 1349 # correct ring bond data
190: ok 1350 # correct ring bond data
190: ok 1351 # correct ring bond data
190: ok 1352 # correct ring bond data
190: ok 1353 # correct ring bond data
190: ok 1354 # correct ring bond data
190: ok 1355 # correct ring bond data
190: ok 1356 # correct ring bond data
190: ok 1357 # SSSR size matches reference
190: ok 1358 # correct SSSR count
190: ok 1359 # ring membership passed
190: ok 1360 # correct SSSR count
190: ok 1361 # ring membership passed
190: ok 1362 # correct SSSR count
190: ok 1363 # ring membership passed
190: ok 1364 # correct SSSR count
190: ok 1365 # ring membership passed
190: ok 1366 # correct SSSR count
190: ok 1367 # ring membership passed
190: ok 1368 # correct SSSR count
190: ok 1369 # ring membership passed
190: ok 1370 # correct SSSR count
190: ok 1371 # ring membership passed
190: ok 1372 # correct SSSR count
190: ok 1373 # ring membership passed
190: ok 1374 # correct SSSR count
190: ok 1375 # ring membership passed
190: ok 1376 # correct SSSR count
190: ok 1377 # ring membership passed
190: ok 1378 # correct SSSR count
190: ok 1379 # ring membership passed
190: ok 1380 # correct SSSR count
190: ok 1381 # ring membership passed
190: ok 1382 # correct SSSR count
190: ok 1383 # ring membership passed
190: ok 1384 # correct SSSR count
190: ok 1385 # ring membership passed
190: ok 1386 # correct SSSR count
190: ok 1387 # ring membership passed
190: ok 1388 # correct SSSR count
190: ok 1389 # ring membership passed
190: ok 1390 # correct SSSR count
190: ok 1391 # ring membership passed
190: ok 1392 # correct SSSR count
190: ok 1393 # ring membership passed
190: ok 1394 # correct SSSR count
190: ok 1395 # ring membership passed
190: ok 1396 # correct SSSR count
190: ok 1397 # ring membership passed
190: ok 1398 # correct SSSR count
190: ok 1399 # ring membership passed
190: ok 1400 # correct SSSR count
190: ok 1401 # ring membership passed
190: ok 1402 # correct ring bond data
190: ok 1403 # correct ring bond data
190: ok 1404 # correct ring bond data
190: ok 1405 # correct ring bond data
190: ok 1406 # correct ring bond data
190: ok 1407 # correct ring bond data
190: ok 1408 # correct ring bond data
190: ok 1409 # correct ring bond data
190: ok 1410 # correct ring bond data
190: ok 1411 # correct ring bond data
190: ok 1412 # correct ring bond data
190: ok 1413 # correct ring bond data
190: ok 1414 # correct ring bond data
190: ok 1415 # correct ring bond data
190: ok 1416 # correct ring bond data
190: ok 1417 # correct ring bond data
190: ok 1418 # correct ring bond data
190: ok 1419 # SSSR size matches reference
190: ok 1420 # correct SSSR count
190: ok 1421 # ring membership passed
190: ok 1422 # correct SSSR count
190: ok 1423 # ring membership passed
190: ok 1424 # correct SSSR count
190: ok 1425 # ring membership passed
190: ok 1426 # correct SSSR count
190: ok 1427 # ring membership passed
190: ok 1428 # correct SSSR count
190: ok 1429 # ring membership passed
190: ok 1430 # correct SSSR count
190: ok 1431 # ring membership passed
190: ok 1432 # correct SSSR count
190: ok 1433 # ring membership passed
190: ok 1434 # correct SSSR count
190: ok 1435 # ring membership passed
190: ok 1436 # correct SSSR count
190: ok 1437 # ring membership passed
190: ok 1438 # correct SSSR count
190: ok 1439 # ring membership passed
190: ok 1440 # correct SSSR count
190: ok 1441 # ring membership passed
190: ok 1442 # correct SSSR count
190: ok 1443 # ring membership passed
190: ok 1444 # correct SSSR count
190: ok 1445 # ring membership passed
190: ok 1446 # correct SSSR count
190: ok 1447 # ring membership passed
190: ok 1448 # correct SSSR count
190: ok 1449 # ring membership passed
190: ok 1450 # correct SSSR count
190: ok 1451 # ring membership passed
190: ok 1452 # correct SSSR count
190: ok 1453 # ring membership passed
190: ok 1454 # correct ring bond data
190: ok 1455 # correct ring bond data
190: ok 1456 # correct ring bond data
190: ok 1457 # correct ring bond data
190: ok 1458 # correct ring bond data
190: ok 1459 # correct ring bond data
190: ok 1460 # correct ring bond data
190: ok 1461 # correct ring bond data
190: ok 1462 # correct ring bond data
190: ok 1463 # correct ring bond data
190: ok 1464 # correct ring bond data
190: ok 1465 # correct ring bond data
190: ok 1466 # correct ring bond data
190: ok 1467 # correct ring bond data
190: ok 1468 # correct ring bond data
190: ok 1469 # correct ring bond data
190: ok 1470 # SSSR size matches reference
190: ok 1471 # correct SSSR count
190: ok 1472 # ring membership passed
190: ok 1473 # correct SSSR count
190: ok 1474 # ring membership passed
190: ok 1475 # correct SSSR count
190: ok 1476 # ring membership passed
190: ok 1477 # correct SSSR count
190: ok 1478 # ring membership passed
190: ok 1479 # correct SSSR count
190: ok 1480 # ring membership passed
190: ok 1481 # correct SSSR count
190: ok 1482 # ring membership passed
190: ok 1483 # correct SSSR count
190: ok 1484 # ring membership passed
190: ok 1485 # correct SSSR count
190: ok 1486 # ring membership passed
190: ok 1487 # correct SSSR count
190: ok 1488 # ring membership passed
190: ok 1489 # correct SSSR count
190: ok 1490 # ring membership passed
190: ok 1491 # correct SSSR count
190: ok 1492 # ring membership passed
190: ok 1493 # correct SSSR count
190: ok 1494 # ring membership passed
190: ok 1495 # correct SSSR count
190: ok 1496 # ring membership passed
190: ok 1497 # correct SSSR count
190: ok 1498 # ring membership passed
190: ok 1499 # correct SSSR count
190: ok 1500 # ring membership passed
190: ok 1501 # correct ring bond data
190: ok 1502 # correct ring bond data
190: ok 1503 # correct ring bond data
190: ok 1504 # correct ring bond data
190: ok 1505 # correct ring bond data
190: ok 1506 # correct ring bond data
190: ok 1507 # correct ring bond data
190: ok 1508 # correct ring bond data
190: ok 1509 # correct ring bond data
190: ok 1510 # correct ring bond data
190: ok 1511 # correct ring bond data
190: ok 1512 # correct ring bond data
190: ok 1513 # correct ring bond data
190: ok 1514 # correct ring bond data
190: ok 1515 # correct ring bond data
190: ok 1516 # correct ring bond data
190: ok 1517 # correct ring bond data
190: ok 1518 # correct ring bond data
190: ok 1519 # correct ring bond data
190: ok 1520 # SSSR size matches reference
190: ok 1521 # correct SSSR count
190: ok 1522 # ring membership passed
190: ok 1523 # correct SSSR count
190: ok 1524 # ring membership passed
190: ok 1525 # correct SSSR count
190: ok 1526 # ring membership passed
190: ok 1527 # correct SSSR count
190: ok 1528 # ring membership passed
190: ok 1529 # correct SSSR count
190: ok 1530 # ring membership passed
190: ok 1531 # correct SSSR count
190: ok 1532 # ring membership passed
190: ok 1533 # correct SSSR count
190: ok 1534 # ring membership passed
190: ok 1535 # correct SSSR count
190: ok 1536 # ring membership passed
190: ok 1537 # correct SSSR count
190: ok 1538 # ring membership passed
190: ok 1539 # correct SSSR count
190: ok 1540 # ring membership passed
190: ok 1541 # correct SSSR count
190: ok 1542 # ring membership passed
190: ok 1543 # correct SSSR count
190: ok 1544 # ring membership passed
190: ok 1545 # correct SSSR count
190: ok 1546 # ring membership passed
190: ok 1547 # correct SSSR count
190: ok 1548 # ring membership passed
190: ok 1549 # correct SSSR count
190: ok 1550 # ring membership passed
190: ok 1551 # correct SSSR count
190: ok 1552 # ring membership passed
190: ok 1553 # correct SSSR count
190: ok 1554 # ring membership passed
190: ok 1555 # correct SSSR count
190: ok 1556 # ring membership passed
190: ok 1557 # correct ring bond data
190: ok 1558 # correct ring bond data
190: ok 1559 # correct ring bond data
190: ok 1560 # correct ring bond data
190: ok 1561 # correct ring bond data
190: ok 1562 # correct ring bond data
190: ok 1563 # correct ring bond data
190: ok 1564 # correct ring bond data
190: ok 1565 # correct ring bond data
190: ok 1566 # correct ring bond data
190: ok 1567 # correct ring bond data
190: ok 1568 # SSSR size matches reference
190: ok 1569 # correct SSSR count
190: ok 1570 # ring membership passed
190: ok 1571 # correct SSSR count
190: ok 1572 # ring membership passed
190: ok 1573 # correct SSSR count
190: ok 1574 # ring membership passed
190: ok 1575 # correct SSSR count
190: ok 1576 # ring membership passed
190: ok 1577 # correct SSSR count
190: ok 1578 # ring membership passed
190: ok 1579 # correct SSSR count
190: ok 1580 # ring membership passed
190: ok 1581 # correct SSSR count
190: ok 1582 # ring membership passed
190: ok 1583 # correct SSSR count
190: ok 1584 # ring membership passed
190: ok 1585 # correct SSSR count
190: ok 1586 # ring membership passed
190: ok 1587 # correct SSSR count
190: ok 1588 # ring membership passed
190: ok 1589 # correct SSSR count
190: ok 1590 # ring membership passed
190: ok 1591 # correct SSSR count
190: ok 1592 # ring membership passed
190: ok 1593 # correct ring bond data
190: ok 1594 # correct ring bond data
190: ok 1595 # correct ring bond data
190: ok 1596 # correct ring bond data
190: ok 1597 # correct ring bond data
190: ok 1598 # correct ring bond data
190: ok 1599 # correct ring bond data
190: ok 1600 # correct ring bond data
190: ok 1601 # correct ring bond data
190: ok 1602 # correct ring bond data
190: ok 1603 # correct ring bond data
190: ok 1604 # correct ring bond data
190: ok 1605 # correct ring bond data
190: ok 1606 # correct ring bond data
190: ok 1607 # correct ring bond data
190: ok 1608 # correct ring bond data
190: ok 1609 # correct ring bond data
190: ok 1610 # correct ring bond data
190: ok 1611 # correct ring bond data
190: ok 1612 # SSSR size matches reference
190: ok 1613 # correct SSSR count
190: ok 1614 # ring membership passed
190: ok 1615 # correct SSSR count
190: ok 1616 # ring membership passed
190: ok 1617 # correct SSSR count
190: ok 1618 # ring membership passed
190: ok 1619 # correct SSSR count
190: ok 1620 # ring membership passed
190: ok 1621 # correct SSSR count
190: ok 1622 # ring membership passed
190: ok 1623 # correct SSSR count
190: ok 1624 # ring membership passed
190: ok 1625 # correct SSSR count
190: ok 1626 # ring membership passed
190: ok 1627 # correct SSSR count
190: ok 1628 # ring membership passed
190: ok 1629 # correct SSSR count
190: ok 1630 # ring membership passed
190: ok 1631 # correct SSSR count
190: ok 1632 # ring membership passed
190: ok 1633 # correct SSSR count
190: ok 1634 # ring membership passed
190: ok 1635 # correct SSSR count
190: ok 1636 # ring membership passed
190: ok 1637 # correct SSSR count
190: ok 1638 # ring membership passed
190: ok 1639 # correct SSSR count
190: ok 1640 # ring membership passed
190: ok 1641 # correct SSSR count
190: ok 1642 # ring membership passed
190: ok 1643 # correct SSSR count
190: ok 1644 # ring membership passed
190: ok 1645 # correct SSSR count
190: ok 1646 # ring membership passed
190: ok 1647 # correct SSSR count
190: ok 1648 # ring membership passed
190: ok 1649 # correct SSSR count
190: ok 1650 # ring membership passed
190: ok 1651 # correct ring bond data
190: ok 1652 # correct ring bond data
190: ok 1653 # correct ring bond data
190: ok 1654 # correct ring bond data
190: ok 1655 # correct ring bond data
190: ok 1656 # correct ring bond data
190: ok 1657 # correct ring bond data
190: ok 1658 # correct ring bond data
190: ok 1659 # correct ring bond data
190: ok 1660 # correct ring bond data
190: ok 1661 # correct ring bond data
190: ok 1662 # correct ring bond data
190: ok 1663 # correct ring bond data
190: ok 1664 # correct ring bond data
190: ok 1665 # correct ring bond data
190: ok 1666 # correct ring bond data
190: ok 1667 # correct ring bond data
190: ok 1668 # correct ring bond data
190: ok 1669 # correct ring bond data
190: ok 1670 # SSSR size matches reference
190: ok 1671 # correct SSSR count
190: ok 1672 # ring membership passed
190: ok 1673 # correct SSSR count
190: ok 1674 # ring membership passed
190: ok 1675 # correct SSSR count
190: ok 1676 # ring membership passed
190: ok 1677 # correct SSSR count
190: ok 1678 # ring membership passed
190: ok 1679 # correct SSSR count
190: ok 1680 # ring membership passed
190: ok 1681 # correct SSSR count
190: ok 1682 # ring membership passed
190: ok 1683 # correct SSSR count
190: ok 1684 # ring membership passed
190: ok 1685 # correct SSSR count
190: ok 1686 # ring membership passed
190: ok 1687 # correct SSSR count
190: ok 1688 # ring membership passed
190: ok 1689 # correct SSSR count
190: ok 1690 # ring membership passed
190: ok 1691 # correct SSSR count
190: ok 1692 # ring membership passed
190: ok 1693 # correct SSSR count
190: ok 1694 # ring membership passed
190: ok 1695 # correct SSSR count
190: ok 1696 # ring membership passed
190: ok 1697 # correct SSSR count
190: ok 1698 # ring membership passed
190: ok 1699 # correct SSSR count
190: ok 1700 # ring membership passed
190: ok 1701 # correct SSSR count
190: ok 1702 # ring membership passed
190: ok 1703 # correct SSSR count
190: ok 1704 # ring membership passed
190: ok 1705 # correct SSSR count
190: ok 1706 # ring membership passed
190: ok 1707 # correct SSSR count
190: ok 1708 # ring membership passed
190: ok 1709 # correct ring bond data
190: ok 1710 # correct ring bond data
190: ok 1711 # correct ring bond data
190: ok 1712 # correct ring bond data
190: ok 1713 # correct ring bond data
190: ok 1714 # correct ring bond data
190: ok 1715 # correct ring bond data
190: ok 1716 # correct ring bond data
190: ok 1717 # correct ring bond data
190: ok 1718 # correct ring bond data
190: ok 1719 # correct ring bond data
190: ok 1720 # correct ring bond data
190: ok 1721 # correct ring bond data
190: ok 1722 # correct ring bond data
190: ok 1723 # correct ring bond data
190: ok 1724 # correct ring bond data
190: ok 1725 # correct ring bond data
190: ok 1726 # correct ring bond data
190: ok 1727 # correct ring bond data
190: ok 1728 # correct ring bond data
190: ok 1729 # correct ring bond data
190: ok 1730 # correct ring bond data
190: ok 1731 # correct ring bond data
190: ok 1732 # SSSR size matches reference
190: ok 1733 # correct SSSR count
190: ok 1734 # ring membership passed
190: ok 1735 # correct SSSR count
190: ok 1736 # ring membership passed
190: ok 1737 # correct SSSR count
190: ok 1738 # ring membership passed
190: ok 1739 # correct SSSR count
190: ok 1740 # ring membership passed
190: ok 1741 # correct SSSR count
190: ok 1742 # ring membership passed
190: ok 1743 # correct SSSR count
190: ok 1744 # ring membership passed
190: ok 1745 # correct SSSR count
190: ok 1746 # ring membership passed
190: ok 1747 # correct SSSR count
190: ok 1748 # ring membership passed
190: ok 1749 # correct SSSR count
190: ok 1750 # ring membership passed
190: ok 1751 # correct SSSR count
190: ok 1752 # ring membership passed
190: ok 1753 # correct SSSR count
190: ok 1754 # ring membership passed
190: ok 1755 # correct SSSR count
190: ok 1756 # ring membership passed
190: ok 1757 # correct SSSR count
190: ok 1758 # ring membership passed
190: ok 1759 # correct SSSR count
190: ok 1760 # ring membership passed
190: ok 1761 # correct SSSR count
190: ok 1762 # ring membership passed
190: ok 1763 # correct SSSR count
190: ok 1764 # ring membership passed
190: ok 1765 # correct SSSR count
190: ok 1766 # ring membership passed
190: ok 1767 # correct SSSR count
190: ok 1768 # ring membership passed
190: ok 1769 # correct SSSR count
190: ok 1770 # ring membership passed
190: ok 1771 # correct SSSR count
190: ok 1772 # ring membership passed
190: ok 1773 # correct SSSR count
190: ok 1774 # ring membership passed
190: ok 1775 # correct ring bond data
190: ok 1776 # correct ring bond data
190: ok 1777 # correct ring bond data
190: ok 1778 # correct ring bond data
190: ok 1779 # correct ring bond data
190: ok 1780 # correct ring bond data
190: ok 1781 # correct ring bond data
190: ok 1782 # correct ring bond data
190: ok 1783 # correct ring bond data
190: ok 1784 # correct ring bond data
190: ok 1785 # correct ring bond data
190: ok 1786 # correct ring bond data
190: ok 1787 # correct ring bond data
190: ok 1788 # correct ring bond data
190: ok 1789 # correct ring bond data
190: ok 1790 # correct ring bond data
190: ok 1791 # SSSR size matches reference
190: ok 1792 # correct SSSR count
190: ok 1793 # ring membership passed
190: ok 1794 # correct SSSR count
190: ok 1795 # ring membership passed
190: ok 1796 # correct SSSR count
190: ok 1797 # ring membership passed
190: ok 1798 # correct SSSR count
190: ok 1799 # ring membership passed
190: ok 1800 # correct SSSR count
190: ok 1801 # ring membership passed
190: ok 1802 # correct SSSR count
190: ok 1803 # ring membership passed
190: ok 1804 # correct SSSR count
190: ok 1805 # ring membership passed
190: ok 1806 # correct SSSR count
190: ok 1807 # ring membership passed
190: ok 1808 # correct SSSR count
190: ok 1809 # ring membership passed
190: ok 1810 # correct SSSR count
190: ok 1811 # ring membership passed
190: ok 1812 # correct SSSR count
190: ok 1813 # ring membership passed
190: ok 1814 # correct SSSR count
190: ok 1815 # ring membership passed
190: ok 1816 # correct SSSR count
190: ok 1817 # ring membership passed
190: ok 1818 # correct SSSR count
190: ok 1819 # ring membership passed
190: ok 1820 # correct SSSR count
190: ok 1821 # ring membership passed
190: ok 1822 # correct SSSR count
190: ok 1823 # ring membership passed
190: ok 1824 # correct ring bond data
190: ok 1825 # correct ring bond data
190: ok 1826 # correct ring bond data
190: ok 1827 # correct ring bond data
190: ok 1828 # correct ring bond data
190: ok 1829 # correct ring bond data
190: ok 1830 # correct ring bond data
190: ok 1831 # correct ring bond data
190: ok 1832 # correct ring bond data
190: ok 1833 # correct ring bond data
190: ok 1834 # correct ring bond data
190: ok 1835 # correct ring bond data
190: ok 1836 # correct ring bond data
190: ok 1837 # correct ring bond data
190: ok 1838 # correct ring bond data
190: ok 1839 # correct ring bond data
190: ok 1840 # SSSR size matches reference
190: ok 1841 # correct SSSR count
190: ok 1842 # ring membership passed
190: ok 1843 # correct SSSR count
190: ok 1844 # ring membership passed
190: ok 1845 # correct SSSR count
190: ok 1846 # ring membership passed
190: ok 1847 # correct SSSR count
190: ok 1848 # ring membership passed
190: ok 1849 # correct SSSR count
190: ok 1850 # ring membership passed
190: ok 1851 # correct SSSR count
190: ok 1852 # ring membership passed
190: ok 1853 # correct SSSR count
190: ok 1854 # ring membership passed
190: ok 1855 # correct SSSR count
190: ok 1856 # ring membership passed
190: ok 1857 # correct SSSR count
190: ok 1858 # ring membership passed
190: ok 1859 # correct SSSR count
190: ok 1860 # ring membership passed
190: ok 1861 # correct SSSR count
190: ok 1862 # ring membership passed
190: ok 1863 # correct SSSR count
190: ok 1864 # ring membership passed
190: ok 1865 # correct SSSR count
190: ok 1866 # ring membership passed
190: ok 1867 # correct SSSR count
190: ok 1868 # ring membership passed
190: ok 1869 # correct SSSR count
190: ok 1870 # ring membership passed
190: ok 1871 # correct SSSR count
190: ok 1872 # ring membership passed
190: ok 1873 # correct ring bond data
190: ok 1874 # correct ring bond data
190: ok 1875 # correct ring bond data
190: ok 1876 # correct ring bond data
190: ok 1877 # correct ring bond data
190: ok 1878 # correct ring bond data
190: ok 1879 # correct ring bond data
190: ok 1880 # correct ring bond data
190: ok 1881 # correct ring bond data
190: ok 1882 # correct ring bond data
190: ok 1883 # correct ring bond data
190: ok 1884 # correct ring bond data
190: ok 1885 # correct ring bond data
190: ok 1886 # correct ring bond data
190: ok 1887 # correct ring bond data
190: ok 1888 # correct ring bond data
190: ok 1889 # SSSR size matches reference
190: ok 1890 # correct SSSR count
190: ok 1891 # ring membership passed
190: ok 1892 # correct SSSR count
190: ok 1893 # ring membership passed
190: ok 1894 # correct SSSR count
190: ok 1895 # ring membership passed
190: ok 1896 # correct SSSR count
190: ok 1897 # ring membership passed
190: ok 1898 # correct SSSR count
190: ok 1899 # ring membership passed
190: ok 1900 # correct SSSR count
190: ok 1901 # ring membership passed
190: ok 1902 # correct SSSR count
190: ok 1903 # ring membership passed
190: ok 1904 # correct SSSR count
190: ok 1905 # ring membership passed
190: ok 1906 # correct SSSR count
190: ok 1907 # ring membership passed
190: ok 1908 # correct SSSR count
190: ok 1909 # ring membership passed
190: ok 1910 # correct SSSR count
190: ok 1911 # ring membership passed
190: ok 1912 # correct SSSR count
190: ok 1913 # ring membership passed
190: ok 1914 # correct SSSR count
190: ok 1915 # ring membership passed
190: ok 1916 # correct SSSR count
190: ok 1917 # ring membership passed
190: ok 1918 # correct SSSR count
190: ok 1919 # ring membership passed
190: ok 1920 # correct SSSR count
190: ok 1921 # ring membership passed
190: ok 1922 # correct ring bond data
190: ok 1923 # correct ring bond data
190: ok 1924 # correct ring bond data
190: ok 1925 # correct ring bond data
190: ok 1926 # correct ring bond data
190: ok 1927 # correct ring bond data
190: ok 1928 # correct ring bond data
190: ok 1929 # correct ring bond data
190: ok 1930 # correct ring bond data
190: ok 1931 # correct ring bond data
190: ok 1932 # correct ring bond data
190: ok 1933 # correct ring bond data
190: ok 1934 # correct ring bond data
190: ok 1935 # correct ring bond data
190: ok 1936 # correct ring bond data
190: ok 1937 # correct ring bond data
190: ok 1938 # SSSR size matches reference
190: ok 1939 # correct SSSR count
190: ok 1940 # ring membership passed
190: ok 1941 # correct SSSR count
190: ok 1942 # ring membership passed
190: ok 1943 # correct SSSR count
190: ok 1944 # ring membership passed
190: ok 1945 # correct SSSR count
190: ok 1946 # ring membership passed
190: ok 1947 # correct SSSR count
190: ok 1948 # ring membership passed
190: ok 1949 # correct SSSR count
190: ok 1950 # ring membership passed
190: ok 1951 # correct SSSR count
190: ok 1952 # ring membership passed
190: ok 1953 # correct SSSR count
190: ok 1954 # ring membership passed
190: ok 1955 # correct SSSR count
190: ok 1956 # ring membership passed
190: ok 1957 # correct SSSR count
190: ok 1958 # ring membership passed
190: ok 1959 # correct SSSR count
190: ok 1960 # ring membership passed
190: ok 1961 # correct SSSR count
190: ok 1962 # ring membership passed
190: ok 1963 # correct SSSR count
190: ok 1964 # ring membership passed
190: ok 1965 # correct SSSR count
190: ok 1966 # ring membership passed
190: ok 1967 # correct SSSR count
190: ok 1968 # ring membership passed
190: ok 1969 # correct SSSR count
190: ok 1970 # ring membership passed
190: ok 1971 # correct ring bond data
190: ok 1972 # correct ring bond data
190: ok 1973 # correct ring bond data
190: ok 1974 # correct ring bond data
190: ok 1975 # correct ring bond data
190: ok 1976 # correct ring bond data
190: ok 1977 # correct ring bond data
190: ok 1978 # correct ring bond data
190: ok 1979 # correct ring bond data
190: ok 1980 # correct ring bond data
190: ok 1981 # correct ring bond data
190: ok 1982 # correct ring bond data
190: ok 1983 # correct ring bond data
190: ok 1984 # correct ring bond data
190: ok 1985 # correct ring bond data
190: ok 1986 # correct ring bond data
190: ok 1987 # correct ring bond data
190: ok 1988 # correct ring bond data
190: ok 1989 # correct ring bond data
190: ok 1990 # SSSR size matches reference
190: ok 1991 # correct SSSR count
190: ok 1992 # ring membership passed
190: ok 1993 # correct SSSR count
190: ok 1994 # ring membership passed
190: ok 1995 # correct SSSR count
190: ok 1996 # ring membership passed
190: ok 1997 # correct SSSR count
190: ok 1998 # ring membership passed
190: ok 1999 # correct SSSR count
190: ok 2000 # ring membership passed
190: ok 2001 # correct SSSR count
190: ok 2002 # ring membership passed
190: ok 2003 # correct SSSR count
190: ok 2004 # ring membership passed
190: ok 2005 # correct SSSR count
190: ok 2006 # ring membership passed
190: ok 2007 # correct SSSR count
190: ok 2008 # ring membership passed
190: ok 2009 # correct SSSR count
190: ok 2010 # ring membership passed
190: ok 2011 # correct SSSR count
190: ok 2012 # ring membership passed
190: ok 2013 # correct SSSR count
190: ok 2014 # ring membership passed
190: ok 2015 # correct SSSR count
190: ok 2016 # ring membership passed
190: ok 2017 # correct SSSR count
190: ok 2018 # ring membership passed
190: ok 2019 # correct SSSR count
190: ok 2020 # ring membership passed
190: ok 2021 # correct SSSR count
190: ok 2022 # ring membership passed
190: ok 2023 # correct SSSR count
190: ok 2024 # ring membership passed
190: ok 2025 # correct SSSR count
190: ok 2026 # ring membership passed
190: ok 2027 # correct ring bond data
190: ok 2028 # correct ring bond data
190: ok 2029 # correct ring bond data
190: ok 2030 # correct ring bond data
190: ok 2031 # correct ring bond data
190: ok 2032 # correct ring bond data
190: ok 2033 # correct ring bond data
190: ok 2034 # correct ring bond data
190: ok 2035 # correct ring bond data
190: ok 2036 # correct ring bond data
190: ok 2037 # correct ring bond data
190: ok 2038 # correct ring bond data
190: ok 2039 # correct ring bond data
190: ok 2040 # correct ring bond data
190: ok 2041 # correct ring bond data
190: ok 2042 # correct ring bond data
190: ok 2043 # correct ring bond data
190: ok 2044 # correct ring bond data
190: ok 2045 # correct ring bond data
190: ok 2046 # SSSR size matches reference
190: ok 2047 # correct SSSR count
190: ok 2048 # ring membership passed
190: ok 2049 # correct SSSR count
190: ok 2050 # ring membership passed
190: ok 2051 # correct SSSR count
190: ok 2052 # ring membership passed
190: ok 2053 # correct SSSR count
190: ok 2054 # ring membership passed
190: ok 2055 # correct SSSR count
190: ok 2056 # ring membership passed
190: ok 2057 # correct SSSR count
190: ok 2058 # ring membership passed
190: ok 2059 # correct SSSR count
190: ok 2060 # ring membership passed
190: ok 2061 # correct SSSR count
190: ok 2062 # ring membership passed
190: ok 2063 # correct SSSR count
190: ok 2064 # ring membership passed
190: ok 2065 # correct SSSR count
190: ok 2066 # ring membership passed
190: ok 2067 # correct SSSR count
190: ok 2068 # ring membership passed
190: ok 2069 # correct SSSR count
190: ok 2070 # ring membership passed
190: ok 2071 # correct SSSR count
190: ok 2072 # ring membership passed
190: ok 2073 # correct SSSR count
190: ok 2074 # ring membership passed
190: ok 2075 # correct SSSR count
190: ok 2076 # ring membership passed
190: ok 2077 # correct SSSR count
190: ok 2078 # ring membership passed
190: ok 2079 # correct SSSR count
190: ok 2080 # ring membership passed
190: ok 2081 # correct ring bond data
190: ok 2082 # correct ring bond data
190: ok 2083 # correct ring bond data
190: ok 2084 # correct ring bond data
190: ok 2085 # correct ring bond data
190: ok 2086 # correct ring bond data
190: ok 2087 # correct ring bond data
190: ok 2088 # correct ring bond data
190: ok 2089 # correct ring bond data
190: ok 2090 # correct ring bond data
190: ok 2091 # correct ring bond data
190: ok 2092 # correct ring bond data
190: ok 2093 # correct ring bond data
190: ok 2094 # correct ring bond data
190: ok 2095 # correct ring bond data
190: ok 2096 # correct ring bond data
190: ok 2097 # correct ring bond data
190: ok 2098 # correct ring bond data
190: ok 2099 # correct ring bond data
190: ok 2100 # correct ring bond data
190: ok 2101 # correct ring bond data
190: ok 2102 # correct ring bond data
190: ok 2103 # correct ring bond data
190: ok 2104 # correct ring bond data
190: ok 2105 # correct ring bond data
190: ok 2106 # correct ring bond data
190: ok 2107 # correct ring bond data
190: ok 2108 # SSSR size matches reference
190: ok 2109 # correct SSSR count
190: ok 2110 # ring membership passed
190: ok 2111 # correct SSSR count
190: ok 2112 # ring membership passed
190: ok 2113 # correct SSSR count
190: ok 2114 # ring membership passed
190: ok 2115 # correct SSSR count
190: ok 2116 # ring membership passed
190: ok 2117 # correct SSSR count
190: ok 2118 # ring membership passed
190: ok 2119 # correct SSSR count
190: ok 2120 # ring membership passed
190: ok 2121 # correct SSSR count
190: ok 2122 # ring membership passed
190: ok 2123 # correct SSSR count
190: ok 2124 # ring membership passed
190: ok 2125 # correct SSSR count
190: ok 2126 # ring membership passed
190: ok 2127 # correct SSSR count
190: ok 2128 # ring membership passed
190: ok 2129 # correct SSSR count
190: ok 2130 # ring membership passed
190: ok 2131 # correct SSSR count
190: ok 2132 # ring membership passed
190: ok 2133 # correct SSSR count
190: ok 2134 # ring membership passed
190: ok 2135 # correct SSSR count
190: ok 2136 # ring membership passed
190: ok 2137 # correct SSSR count
190: ok 2138 # ring membership passed
190: ok 2139 # correct SSSR count
190: ok 2140 # ring membership passed
190: ok 2141 # correct SSSR count
190: ok 2142 # ring membership passed
190: ok 2143 # correct SSSR count
190: ok 2144 # ring membership passed
190: ok 2145 # correct SSSR count
190: ok 2146 # ring membership passed
190: ok 2147 # correct SSSR count
190: ok 2148 # ring membership passed
190: ok 2149 # correct SSSR count
190: ok 2150 # ring membership passed
190: ok 2151 # correct SSSR count
190: ok 2152 # ring membership passed
190: ok 2153 # correct SSSR count
190: ok 2154 # ring membership passed
190: ok 2155 # correct SSSR count
190: ok 2156 # ring membership passed
190: ok 2157 # correct SSSR count
190: ok 2158 # ring membership passed
190: ok 2159 # correct SSSR count
190: ok 2160 # ring membership passed
190: ok 2161 # correct ring bond data
190: ok 2162 # correct ring bond data
190: ok 2163 # correct ring bond data
190: ok 2164 # correct ring bond data
190: ok 2165 # correct ring bond data
190: ok 2166 # correct ring bond data
190: ok 2167 # correct ring bond data
190: ok 2168 # correct ring bond data
190: ok 2169 # correct ring bond data
190: ok 2170 # correct ring bond data
190: ok 2171 # correct ring bond data
190: ok 2172 # correct ring bond data
190: ok 2173 # correct ring bond data
190: ok 2174 # correct ring bond data
190: ok 2175 # correct ring bond data
190: ok 2176 # correct ring bond data
190: ok 2177 # correct ring bond data
190: ok 2178 # correct ring bond data
190: ok 2179 # correct ring bond data
190: ok 2180 # correct ring bond data
190: ok 2181 # SSSR size matches reference
190: ok 2182 # correct SSSR count
190: ok 2183 # ring membership passed
190: ok 2184 # correct SSSR count
190: ok 2185 # ring membership passed
190: ok 2186 # correct SSSR count
190: ok 2187 # ring membership passed
190: ok 2188 # correct SSSR count
190: ok 2189 # ring membership passed
190: ok 2190 # correct SSSR count
190: ok 2191 # ring membership passed
190: ok 2192 # correct SSSR count
190: ok 2193 # ring membership passed
190: ok 2194 # correct SSSR count
190: ok 2195 # ring membership passed
190: ok 2196 # correct SSSR count
190: ok 2197 # ring membership passed
190: ok 2198 # correct SSSR count
190: ok 2199 # ring membership passed
190: ok 2200 # correct SSSR count
190: ok 2201 # ring membership passed
190: ok 2202 # correct SSSR count
190: ok 2203 # ring membership passed
190: ok 2204 # correct SSSR count
190: ok 2205 # ring membership passed
190: ok 2206 # correct SSSR count
190: ok 2207 # ring membership passed
190: ok 2208 # correct SSSR count
190: ok 2209 # ring membership passed
190: ok 2210 # correct SSSR count
190: ok 2211 # ring membership passed
190: ok 2212 # correct SSSR count
190: ok 2213 # ring membership passed
190: ok 2214 # correct SSSR count
190: ok 2215 # ring membership passed
190: ok 2216 # correct SSSR count
190: ok 2217 # ring membership passed
190: ok 2218 # correct SSSR count
190: ok 2219 # ring membership passed
190: ok 2220 # correct ring bond data
190: ok 2221 # correct ring bond data
190: ok 2222 # correct ring bond data
190: ok 2223 # correct ring bond data
190: ok 2224 # correct ring bond data
190: ok 2225 # correct ring bond data
190: ok 2226 # correct ring bond data
190: ok 2227 # correct ring bond data
190: ok 2228 # correct ring bond data
190: ok 2229 # correct ring bond data
190: ok 2230 # correct ring bond data
190: ok 2231 # correct ring bond data
190: ok 2232 # correct ring bond data
190: ok 2233 # correct ring bond data
190: ok 2234 # correct ring bond data
190: ok 2235 # correct ring bond data
190: ok 2236 # correct ring bond data
190: ok 2237 # correct ring bond data
190: ok 2238 # correct ring bond data
190: ok 2239 # correct ring bond data
190: ok 2240 # SSSR size matches reference
190: ok 2241 # correct SSSR count
190: ok 2242 # ring membership passed
190: ok 2243 # correct SSSR count
190: ok 2244 # ring membership passed
190: ok 2245 # correct SSSR count
190: ok 2246 # ring membership passed
190: ok 2247 # correct SSSR count
190: ok 2248 # ring membership passed
190: ok 2249 # correct SSSR count
190: ok 2250 # ring membership passed
190: ok 2251 # correct SSSR count
190: ok 2252 # ring membership passed
190: ok 2253 # correct SSSR count
190: ok 2254 # ring membership passed
190: ok 2255 # correct SSSR count
190: ok 2256 # ring membership passed
190: ok 2257 # correct SSSR count
190: ok 2258 # ring membership passed
190: ok 2259 # correct SSSR count
190: ok 2260 # ring membership passed
190: ok 2261 # correct SSSR count
190: ok 2262 # ring membership passed
190: ok 2263 # correct SSSR count
190: ok 2264 # ring membership passed
190: ok 2265 # correct SSSR count
190: ok 2266 # ring membership passed
190: ok 2267 # correct SSSR count
190: ok 2268 # ring membership passed
190: ok 2269 # correct SSSR count
190: ok 2270 # ring membership passed
190: ok 2271 # correct SSSR count
190: ok 2272 # ring membership passed
190: ok 2273 # correct SSSR count
190: ok 2274 # ring membership passed
190: ok 2275 # correct SSSR count
190: ok 2276 # ring membership passed
190: ok 2277 # correct SSSR count
190: ok 2278 # ring membership passed
190: ok 2279 # correct ring bond data
190: ok 2280 # correct ring bond data
190: ok 2281 # correct ring bond data
190: ok 2282 # correct ring bond data
190: ok 2283 # correct ring bond data
190: ok 2284 # correct ring bond data
190: ok 2285 # correct ring bond data
190: ok 2286 # correct ring bond data
190: ok 2287 # correct ring bond data
190: ok 2288 # correct ring bond data
190: ok 2289 # correct ring bond data
190: ok 2290 # correct ring bond data
190: ok 2291 # correct ring bond data
190: ok 2292 # correct ring bond data
190: ok 2293 # correct ring bond data
190: ok 2294 # correct ring bond data
190: ok 2295 # correct ring bond data
190: ok 2296 # correct ring bond data
190: ok 2297 # correct ring bond data
190: ok 2298 # SSSR size matches reference
190: ok 2299 # correct SSSR count
190: ok 2300 # ring membership passed
190: ok 2301 # correct SSSR count
190: ok 2302 # ring membership passed
190: ok 2303 # correct SSSR count
190: ok 2304 # ring membership passed
190: ok 2305 # correct SSSR count
190: ok 2306 # ring membership passed
190: ok 2307 # correct SSSR count
190: ok 2308 # ring membership passed
190: ok 2309 # correct SSSR count
190: ok 2310 # ring membership passed
190: ok 2311 # correct SSSR count
190: ok 2312 # ring membership passed
190: ok 2313 # correct SSSR count
190: ok 2314 # ring membership passed
190: ok 2315 # correct SSSR count
190: ok 2316 # ring membership passed
190: ok 2317 # correct SSSR count
190: ok 2318 # ring membership passed
190: ok 2319 # correct SSSR count
190: ok 2320 # ring membership passed
190: ok 2321 # correct SSSR count
190: ok 2322 # ring membership passed
190: ok 2323 # correct SSSR count
190: ok 2324 # ring membership passed
190: ok 2325 # correct SSSR count
190: ok 2326 # ring membership passed
190: ok 2327 # correct SSSR count
190: ok 2328 # ring membership passed
190: ok 2329 # correct SSSR count
190: ok 2330 # ring membership passed
190: ok 2331 # correct SSSR count
190: ok 2332 # ring membership passed
190: ok 2333 # correct SSSR count
190: ok 2334 # ring membership passed
190: ok 2335 # correct ring bond data
190: ok 2336 # correct ring bond data
190: ok 2337 # correct ring bond data
190: ok 2338 # correct ring bond data
190: ok 2339 # correct ring bond data
190: ok 2340 # correct ring bond data
190: ok 2341 # correct ring bond data
190: ok 2342 # correct ring bond data
190: ok 2343 # correct ring bond data
190: ok 2344 # correct ring bond data
190: ok 2345 # correct ring bond data
190: ok 2346 # correct ring bond data
190: ok 2347 # correct ring bond data
190: ok 2348 # correct ring bond data
190: ok 2349 # correct ring bond data
190: ok 2350 # correct ring bond data
190: ok 2351 # SSSR size matches reference
190: ok 2352 # correct SSSR count
190: ok 2353 # ring membership passed
190: ok 2354 # correct SSSR count
190: ok 2355 # ring membership passed
190: ok 2356 # correct SSSR count
190: ok 2357 # ring membership passed
190: ok 2358 # correct SSSR count
190: ok 2359 # ring membership passed
190: ok 2360 # correct SSSR count
190: ok 2361 # ring membership passed
190: ok 2362 # correct SSSR count
190: ok 2363 # ring membership passed
190: ok 2364 # correct SSSR count
190: ok 2365 # ring membership passed
190: ok 2366 # correct SSSR count
190: ok 2367 # ring membership passed
190: ok 2368 # correct SSSR count
190: ok 2369 # ring membership passed
190: ok 2370 # correct SSSR count
190: ok 2371 # ring membership passed
190: ok 2372 # correct SSSR count
190: ok 2373 # ring membership passed
190: ok 2374 # correct SSSR count
190: ok 2375 # ring membership passed
190: ok 2376 # correct SSSR count
190: ok 2377 # ring membership passed
190: ok 2378 # correct SSSR count
190: ok 2379 # ring membership passed
190: ok 2380 # correct SSSR count
190: ok 2381 # ring membership passed
190: ok 2382 # correct ring bond data
190: ok 2383 # correct ring bond data
190: ok 2384 # correct ring bond data
190: ok 2385 # correct ring bond data
190: ok 2386 # correct ring bond data
190: ok 2387 # correct ring bond data
190: ok 2388 # correct ring bond data
190: ok 2389 # correct ring bond data
190: ok 2390 # correct ring bond data
190: ok 2391 # correct ring bond data
190: ok 2392 # correct ring bond data
190: ok 2393 # correct ring bond data
190: ok 2394 # correct ring bond data
190: ok 2395 # correct ring bond data
190: ok 2396 # correct ring bond data
190: ok 2397 # correct ring bond data
190: ok 2398 # SSSR size matches reference
190: ok 2399 # correct SSSR count
190: ok 2400 # ring membership passed
190: ok 2401 # correct SSSR count
190: ok 2402 # ring membership passed
190: ok 2403 # correct SSSR count
190: ok 2404 # ring membership passed
190: ok 2405 # correct SSSR count
190: ok 2406 # ring membership passed
190: ok 2407 # correct SSSR count
190: ok 2408 # ring membership passed
190: ok 2409 # correct SSSR count
190: ok 2410 # ring membership passed
190: ok 2411 # correct SSSR count
190: ok 2412 # ring membership passed
190: ok 2413 # correct SSSR count
190: ok 2414 # ring membership passed
190: ok 2415 # correct SSSR count
190: ok 2416 # ring membership passed
190: ok 2417 # correct SSSR count
190: ok 2418 # ring membership passed
190: ok 2419 # correct SSSR count
190: ok 2420 # ring membership passed
190: ok 2421 # correct SSSR count
190: ok 2422 # ring membership passed
190: ok 2423 # correct SSSR count
190: ok 2424 # ring membership passed
190: ok 2425 # correct SSSR count
190: ok 2426 # ring membership passed
190: ok 2427 # correct SSSR count
190: ok 2428 # ring membership passed
190: ok 2429 # correct ring bond data
190: ok 2430 # correct ring bond data
190: ok 2431 # correct ring bond data
190: ok 2432 # correct ring bond data
190: ok 2433 # correct ring bond data
190: ok 2434 # correct ring bond data
190: ok 2435 # correct ring bond data
190: ok 2436 # correct ring bond data
190: ok 2437 # correct ring bond data
190: ok 2438 # correct ring bond data
190: ok 2439 # correct ring bond data
190: ok 2440 # correct ring bond data
190: ok 2441 # correct ring bond data
190: ok 2442 # correct ring bond data
190: ok 2443 # correct ring bond data
190: ok 2444 # correct ring bond data
190: ok 2445 # correct ring bond data
190: ok 2446 # correct ring bond data
190: ok 2447 # correct ring bond data
190: ok 2448 # SSSR size matches reference
190: ok 2449 # correct SSSR count
190: ok 2450 # ring membership passed
190: ok 2451 # correct SSSR count
190: ok 2452 # ring membership passed
190: ok 2453 # correct SSSR count
190: ok 2454 # ring membership passed
190: ok 2455 # correct SSSR count
190: ok 2456 # ring membership passed
190: ok 2457 # correct SSSR count
190: ok 2458 # ring membership passed
190: ok 2459 # correct SSSR count
190: ok 2460 # ring membership passed
190: ok 2461 # correct SSSR count
190: ok 2462 # ring membership passed
190: ok 2463 # correct SSSR count
190: ok 2464 # ring membership passed
190: ok 2465 # correct SSSR count
190: ok 2466 # ring membership passed
190: ok 2467 # correct SSSR count
190: ok 2468 # ring membership passed
190: ok 2469 # correct SSSR count
190: ok 2470 # ring membership passed
190: ok 2471 # correct SSSR count
190: ok 2472 # ring membership passed
190: ok 2473 # correct SSSR count
190: ok 2474 # ring membership passed
190: ok 2475 # correct SSSR count
190: ok 2476 # ring membership passed
190: ok 2477 # correct SSSR count
190: ok 2478 # ring membership passed
190: ok 2479 # correct SSSR count
190: ok 2480 # ring membership passed
190: ok 2481 # correct SSSR count
190: ok 2482 # ring membership passed
190: ok 2483 # correct SSSR count
190: ok 2484 # ring membership passed
190: ok 2485 # correct ring bond data
190: ok 2486 # correct ring bond data
190: ok 2487 # correct ring bond data
190: ok 2488 # correct ring bond data
190: ok 2489 # correct ring bond data
190: ok 2490 # correct ring bond data
190: ok 2491 # correct ring bond data
190: ok 2492 # correct ring bond data
190: ok 2493 # correct ring bond data
190: ok 2494 # correct ring bond data
190: ok 2495 # correct ring bond data
190: ok 2496 # correct ring bond data
190: ok 2497 # correct ring bond data
190: ok 2498 # correct ring bond data
190: ok 2499 # correct ring bond data
190: ok 2500 # correct ring bond data
190: ok 2501 # correct ring bond data
190: ok 2502 # correct ring bond data
190: ok 2503 # correct ring bond data
190: ok 2504 # correct ring bond data
190: ok 2505 # SSSR size matches reference
190: ok 2506 # correct SSSR count
190: ok 2507 # ring membership passed
190: ok 2508 # correct SSSR count
190: ok 2509 # ring membership passed
190: ok 2510 # correct SSSR count
190: ok 2511 # ring membership passed
190: ok 2512 # correct SSSR count
190: ok 2513 # ring membership passed
190: ok 2514 # correct SSSR count
190: ok 2515 # ring membership passed
190: ok 2516 # correct SSSR count
190: ok 2517 # ring membership passed
190: ok 2518 # correct SSSR count
190: ok 2519 # ring membership passed
190: ok 2520 # correct SSSR count
190: ok 2521 # ring membership passed
190: ok 2522 # correct SSSR count
190: ok 2523 # ring membership passed
190: ok 2524 # correct SSSR count
190: ok 2525 # ring membership passed
190: ok 2526 # correct SSSR count
190: ok 2527 # ring membership passed
190: ok 2528 # correct SSSR count
190: ok 2529 # ring membership passed
190: ok 2530 # correct SSSR count
190: ok 2531 # ring membership passed
190: ok 2532 # correct SSSR count
190: ok 2533 # ring membership passed
190: ok 2534 # correct SSSR count
190: ok 2535 # ring membership passed
190: ok 2536 # correct SSSR count
190: ok 2537 # ring membership passed
190: ok 2538 # correct SSSR count
190: ok 2539 # ring membership passed
190: ok 2540 # correct SSSR count
190: ok 2541 # ring membership passed
190: ok 2542 # correct SSSR count
190: ok 2543 # ring membership passed
190: ok 2544 # correct SSSR count
190: ok 2545 # ring membership passed
190: ok 2546 # correct ring bond data
190: ok 2547 # correct ring bond data
190: ok 2548 # correct ring bond data
190: ok 2549 # correct ring bond data
190: ok 2550 # correct ring bond data
190: ok 2551 # correct ring bond data
190: ok 2552 # correct ring bond data
190: ok 2553 # correct ring bond data
190: ok 2554 # correct ring bond data
190: ok 2555 # correct ring bond data
190: ok 2556 # correct ring bond data
190: ok 2557 # correct ring bond data
190: ok 2558 # correct ring bond data
190: ok 2559 # correct ring bond data
190: ok 2560 # correct ring bond data
190: ok 2561 # SSSR size matches reference
190: ok 2562 # correct SSSR count
190: ok 2563 # ring membership passed
190: ok 2564 # correct SSSR count
190: ok 2565 # ring membership passed
190: ok 2566 # correct SSSR count
190: ok 2567 # ring membership passed
190: ok 2568 # correct SSSR count
190: ok 2569 # ring membership passed
190: ok 2570 # correct SSSR count
190: ok 2571 # ring membership passed
190: ok 2572 # correct SSSR count
190: ok 2573 # ring membership passed
190: ok 2574 # correct SSSR count
190: ok 2575 # ring membership passed
190: ok 2576 # correct SSSR count
190: ok 2577 # ring membership passed
190: ok 2578 # correct SSSR count
190: ok 2579 # ring membership passed
190: ok 2580 # correct SSSR count
190: ok 2581 # ring membership passed
190: ok 2582 # correct SSSR count
190: ok 2583 # ring membership passed
190: ok 2584 # correct SSSR count
190: ok 2585 # ring membership passed
190: ok 2586 # correct SSSR count
190: ok 2587 # ring membership passed
190: ok 2588 # correct SSSR count
190: ok 2589 # ring membership passed
190: ok 2590 # correct ring bond data
190: ok 2591 # correct ring bond data
190: ok 2592 # correct ring bond data
190: ok 2593 # correct ring bond data
190: ok 2594 # correct ring bond data
190: ok 2595 # correct ring bond data
190: ok 2596 # correct ring bond data
190: ok 2597 # correct ring bond data
190: ok 2598 # correct ring bond data
190: ok 2599 # correct ring bond data
190: ok 2600 # correct ring bond data
190: ok 2601 # correct ring bond data
190: ok 2602 # correct ring bond data
190: ok 2603 # correct ring bond data
190: ok 2604 # correct ring bond data
190: ok 2605 # correct ring bond data
190: ok 2606 # correct ring bond data
190: ok 2607 # correct ring bond data
190: ok 2608 # correct ring bond data
190: ok 2609 # correct ring bond data
190: ok 2610 # correct ring bond data
190: ok 2611 # correct ring bond data
190: ok 2612 # SSSR size matches reference
190: ok 2613 # correct SSSR count
190: ok 2614 # ring membership passed
190: ok 2615 # correct SSSR count
190: ok 2616 # ring membership passed
190: ok 2617 # correct SSSR count
190: ok 2618 # ring membership passed
190: ok 2619 # correct SSSR count
190: ok 2620 # ring membership passed
190: ok 2621 # correct SSSR count
190: ok 2622 # ring membership passed
190: ok 2623 # correct SSSR count
190: ok 2624 # ring membership passed
190: ok 2625 # correct SSSR count
190: ok 2626 # ring membership passed
190: ok 2627 # correct SSSR count
190: ok 2628 # ring membership passed
190: ok 2629 # correct SSSR count
190: ok 2630 # ring membership passed
190: ok 2631 # correct SSSR count
190: ok 2632 # ring membership passed
190: ok 2633 # correct SSSR count
190: ok 2634 # ring membership passed
190: ok 2635 # correct SSSR count
190: ok 2636 # ring membership passed
190: ok 2637 # correct SSSR count
190: ok 2638 # ring membership passed
190: ok 2639 # correct SSSR count
190: ok 2640 # ring membership passed
190: ok 2641 # correct SSSR count
190: ok 2642 # ring membership passed
190: ok 2643 # correct SSSR count
190: ok 2644 # ring membership passed
190: ok 2645 # correct SSSR count
190: ok 2646 # ring membership passed
190: ok 2647 # correct SSSR count
190: ok 2648 # ring membership passed
190: ok 2649 # correct SSSR count
190: ok 2650 # ring membership passed
190: ok 2651 # correct SSSR count
190: ok 2652 # ring membership passed
190: ok 2653 # correct ring bond data
190: ok 2654 # correct ring bond data
190: ok 2655 # correct ring bond data
190: ok 2656 # correct ring bond data
190: ok 2657 # correct ring bond data
190: ok 2658 # correct ring bond data
190: ok 2659 # correct ring bond data
190: ok 2660 # correct ring bond data
190: ok 2661 # correct ring bond data
190: ok 2662 # correct ring bond data
190: ok 2663 # correct ring bond data
190: ok 2664 # correct ring bond data
190: ok 2665 # correct ring bond data
190: ok 2666 # correct ring bond data
190: ok 2667 # correct ring bond data
190: ok 2668 # correct ring bond data
190: ok 2669 # correct ring bond data
190: ok 2670 # correct ring bond data
190: ok 2671 # correct ring bond data
190: ok 2672 # correct ring bond data
190: ok 2673 # correct ring bond data
190: ok 2674 # correct ring bond data
190: ok 2675 # SSSR size matches reference
190: ok 2676 # correct SSSR count
190: ok 2677 # ring membership passed
190: ok 2678 # correct SSSR count
190: ok 2679 # ring membership passed
190: ok 2680 # correct SSSR count
190: ok 2681 # ring membership passed
190: ok 2682 # correct SSSR count
190: ok 2683 # ring membership passed
190: ok 2684 # correct SSSR count
190: ok 2685 # ring membership passed
190: ok 2686 # correct SSSR count
190: ok 2687 # ring membership passed
190: ok 2688 # correct SSSR count
190: ok 2689 # ring membership passed
190: ok 2690 # correct SSSR count
190: ok 2691 # ring membership passed
190: ok 2692 # correct SSSR count
190: ok 2693 # ring membership passed
190: ok 2694 # correct SSSR count
190: ok 2695 # ring membership passed
190: ok 2696 # correct SSSR count
190: ok 2697 # ring membership passed
190: ok 2698 # correct SSSR count
190: ok 2699 # ring membership passed
190: ok 2700 # correct SSSR count
190: ok 2701 # ring membership passed
190: ok 2702 # correct SSSR count
190: ok 2703 # ring membership passed
190: ok 2704 # correct SSSR count
190: ok 2705 # ring membership passed
190: ok 2706 # correct SSSR count
190: ok 2707 # ring membership passed
190: ok 2708 # correct SSSR count
190: ok 2709 # ring membership passed
190: ok 2710 # correct SSSR count
190: ok 2711 # ring membership passed
190: ok 2712 # correct SSSR count
190: ok 2713 # ring membership passed
190: ok 2714 # correct SSSR count
190: ok 2715 # ring membership passed
190: ok 2716 # correct ring bond data
190: ok 2717 # correct ring bond data
190: ok 2718 # correct ring bond data
190: ok 2719 # correct ring bond data
190: ok 2720 # correct ring bond data
190: ok 2721 # correct ring bond data
190: ok 2722 # correct ring bond data
190: ok 2723 # correct ring bond data
190: ok 2724 # correct ring bond data
190: ok 2725 # correct ring bond data
190: ok 2726 # correct ring bond data
190: ok 2727 # correct ring bond data
190: ok 2728 # correct ring bond data
190: ok 2729 # correct ring bond data
190: ok 2730 # correct ring bond data
190: ok 2731 # correct ring bond data
190: ok 2732 # SSSR size matches reference
190: ok 2733 # correct SSSR count
190: ok 2734 # ring membership passed
190: ok 2735 # correct SSSR count
190: ok 2736 # ring membership passed
190: ok 2737 # correct SSSR count
190: ok 2738 # ring membership passed
190: ok 2739 # correct SSSR count
190: ok 2740 # ring membership passed
190: ok 2741 # correct SSSR count
190: ok 2742 # ring membership passed
190: ok 2743 # correct SSSR count
190: ok 2744 # ring membership passed
190: ok 2745 # correct SSSR count
190: ok 2746 # ring membership passed
190: ok 2747 # correct SSSR count
190: ok 2748 # ring membership passed
190: ok 2749 # correct SSSR count
190: ok 2750 # ring membership passed
190: ok 2751 # correct SSSR count
190: ok 2752 # ring membership passed
190: ok 2753 # correct SSSR count
190: ok 2754 # ring membership passed
190: ok 2755 # correct SSSR count
190: ok 2756 # ring membership passed
190: ok 2757 # correct SSSR count
190: ok 2758 # ring membership passed
190: ok 2759 # correct SSSR count
190: ok 2760 # ring membership passed
190: ok 2761 # correct SSSR count
190: ok 2762 # ring membership passed
190: ok 2763 # correct ring bond data
190: ok 2764 # correct ring bond data
190: ok 2765 # correct ring bond data
190: ok 2766 # correct ring bond data
190: ok 2767 # correct ring bond data
190: ok 2768 # correct ring bond data
190: ok 2769 # correct ring bond data
190: ok 2770 # correct ring bond data
190: ok 2771 # correct ring bond data
190: ok 2772 # correct ring bond data
190: ok 2773 # correct ring bond data
190: ok 2774 # correct ring bond data
190: ok 2775 # correct ring bond data
190: ok 2776 # correct ring bond data
190: ok 2777 # correct ring bond data
190: ok 2778 # correct ring bond data
190: ok 2779 # correct ring bond data
190: ok 2780 # correct ring bond data
190: ok 2781 # correct ring bond data
190: ok 2782 # correct ring bond data
190: ok 2783 # SSSR size matches reference
190: ok 2784 # correct SSSR count
190: ok 2785 # ring membership passed
190: ok 2786 # correct SSSR count
190: ok 2787 # ring membership passed
190: ok 2788 # correct SSSR count
190: ok 2789 # ring membership passed
190: ok 2790 # correct SSSR count
190: ok 2791 # ring membership passed
190: ok 2792 # correct SSSR count
190: ok 2793 # ring membership passed
190: ok 2794 # correct SSSR count
190: ok 2795 # ring membership passed
190: ok 2796 # correct SSSR count
190: ok 2797 # ring membership passed
190: ok 2798 # correct SSSR count
190: ok 2799 # ring membership passed
190: ok 2800 # correct SSSR count
190: ok 2801 # ring membership passed
190: ok 2802 # correct SSSR count
190: ok 2803 # ring membership passed
190: ok 2804 # correct SSSR count
190: ok 2805 # ring membership passed
190: ok 2806 # correct SSSR count
190: ok 2807 # ring membership passed
190: ok 2808 # correct SSSR count
190: ok 2809 # ring membership passed
190: ok 2810 # correct SSSR count
190: ok 2811 # ring membership passed
190: ok 2812 # correct SSSR count
190: ok 2813 # ring membership passed
190: ok 2814 # correct SSSR count
190: ok 2815 # ring membership passed
190: ok 2816 # correct SSSR count
190: ok 2817 # ring membership passed
190: ok 2818 # correct SSSR count
190: ok 2819 # ring membership passed
190: ok 2820 # correct SSSR count
190: ok 2821 # ring membership passed
190: ok 2822 # correct SSSR count
190: ok 2823 # ring membership passed
190: ok 2824 # correct ring bond data
190: ok 2825 # correct ring bond data
190: ok 2826 # correct ring bond data
190: ok 2827 # correct ring bond data
190: ok 2828 # correct ring bond data
190: ok 2829 # correct ring bond data
190: ok 2830 # correct ring bond data
190: ok 2831 # correct ring bond data
190: ok 2832 # correct ring bond data
190: ok 2833 # correct ring bond data
190: ok 2834 # correct ring bond data
190: ok 2835 # correct ring bond data
190: ok 2836 # correct ring bond data
190: ok 2837 # correct ring bond data
190: ok 2838 # correct ring bond data
190: ok 2839 # correct ring bond data
190: ok 2840 # correct ring bond data
190: ok 2841 # correct ring bond data
190: ok 2842 # correct ring bond data
190: ok 2843 # correct ring bond data
190: ok 2844 # correct ring bond data
190: ok 2845 # correct ring bond data
190: ok 2846 # correct ring bond data
190: ok 2847 # correct ring bond data
190: ok 2848 # SSSR size matches reference
190: ok 2849 # correct SSSR count
190: ok 2850 # ring membership passed
190: ok 2851 # correct SSSR count
190: ok 2852 # ring membership passed
190: ok 2853 # correct SSSR count
190: ok 2854 # ring membership passed
190: ok 2855 # correct SSSR count
190: ok 2856 # ring membership passed
190: ok 2857 # correct SSSR count
190: ok 2858 # ring membership passed
190: ok 2859 # correct SSSR count
190: ok 2860 # ring membership passed
190: ok 2861 # correct SSSR count
190: ok 2862 # ring membership passed
190: ok 2863 # correct SSSR count
190: ok 2864 # ring membership passed
190: ok 2865 # correct SSSR count
190: ok 2866 # ring membership passed
190: ok 2867 # correct SSSR count
190: ok 2868 # ring membership passed
190: ok 2869 # correct SSSR count
190: ok 2870 # ring membership passed
190: ok 2871 # correct SSSR count
190: ok 2872 # ring membership passed
190: ok 2873 # correct SSSR count
190: ok 2874 # ring membership passed
190: ok 2875 # correct SSSR count
190: ok 2876 # ring membership passed
190: ok 2877 # correct SSSR count
190: ok 2878 # ring membership passed
190: ok 2879 # correct SSSR count
190: ok 2880 # ring membership passed
190: ok 2881 # correct SSSR count
190: ok 2882 # ring membership passed
190: ok 2883 # correct SSSR count
190: ok 2884 # ring membership passed
190: ok 2885 # correct SSSR count
190: ok 2886 # ring membership passed
190: ok 2887 # correct SSSR count
190: ok 2888 # ring membership passed
190: ok 2889 # correct SSSR count
190: ok 2890 # ring membership passed
190: ok 2891 # correct ring bond data
190: ok 2892 # correct ring bond data
190: ok 2893 # correct ring bond data
190: ok 2894 # correct ring bond data
190: ok 2895 # correct ring bond data
190: ok 2896 # correct ring bond data
190: ok 2897 # correct ring bond data
190: ok 2898 # correct ring bond data
190: ok 2899 # correct ring bond data
190: ok 2900 # correct ring bond data
190: ok 2901 # correct ring bond data
190: ok 2902 # correct ring bond data
190: ok 2903 # correct ring bond data
190: ok 2904 # correct ring bond data
190: ok 2905 # correct ring bond data
190: ok 2906 # correct ring bond data
190: ok 2907 # correct ring bond data
190: ok 2908 # correct ring bond data
190: ok 2909 # correct ring bond data
190: ok 2910 # correct ring bond data
190: ok 2911 # correct ring bond data
190: ok 2912 # correct ring bond data
190: ok 2913 # correct ring bond data
190: ok 2914 # correct ring bond data
190: ok 2915 # correct ring bond data
190: ok 2916 # correct ring bond data
190: ok 2917 # correct ring bond data
190: ok 2918 # correct ring bond data
190: ok 2919 # correct ring bond data
190: ok 2920 # correct ring bond data
190: ok 2921 # correct ring bond data
190: ok 2922 # SSSR size matches reference
190: ok 2923 # correct SSSR count
190: ok 2924 # ring membership passed
190: ok 2925 # correct SSSR count
190: ok 2926 # ring membership passed
190: ok 2927 # correct SSSR count
190: ok 2928 # ring membership passed
190: ok 2929 # correct SSSR count
190: ok 2930 # ring membership passed
190: ok 2931 # correct SSSR count
190: ok 2932 # ring membership passed
190: ok 2933 # correct SSSR count
190: ok 2934 # ring membership passed
190: ok 2935 # correct SSSR count
190: ok 2936 # ring membership passed
190: ok 2937 # correct SSSR count
190: ok 2938 # ring membership passed
190: ok 2939 # correct SSSR count
190: ok 2940 # ring membership passed
190: ok 2941 # correct SSSR count
190: ok 2942 # ring membership passed
190: ok 2943 # correct SSSR count
190: ok 2944 # ring membership passed
190: ok 2945 # correct SSSR count
190: ok 2946 # ring membership passed
190: ok 2947 # correct SSSR count
190: ok 2948 # ring membership passed
190: ok 2949 # correct SSSR count
190: ok 2950 # ring membership passed
190: ok 2951 # correct SSSR count
190: ok 2952 # ring membership passed
190: ok 2953 # correct SSSR count
190: ok 2954 # ring membership passed
190: ok 2955 # correct SSSR count
190: ok 2956 # ring membership passed
190: ok 2957 # correct SSSR count
190: ok 2958 # ring membership passed
190: ok 2959 # correct SSSR count
190: ok 2960 # ring membership passed
190: ok 2961 # correct SSSR count
190: ok 2962 # ring membership passed
190: ok 2963 # correct SSSR count
190: ok 2964 # ring membership passed
190: ok 2965 # correct SSSR count
190: ok 2966 # ring membership passed
190: ok 2967 # correct SSSR count
190: ok 2968 # ring membership passed
190: ok 2969 # correct SSSR count
190: ok 2970 # ring membership passed
190: ok 2971 # correct SSSR count
190: ok 2972 # ring membership passed
190: ok 2973 # correct SSSR count
190: ok 2974 # ring membership passed
190: ok 2975 # correct SSSR count
190: ok 2976 # ring membership passed
190: ok 2977 # correct ring bond data
190: ok 2978 # correct ring bond data
190: ok 2979 # correct ring bond data
190: ok 2980 # correct ring bond data
190: ok 2981 # correct ring bond data
190: ok 2982 # correct ring bond data
190: ok 2983 # correct ring bond data
190: ok 2984 # correct ring bond data
190: ok 2985 # correct ring bond data
190: ok 2986 # correct ring bond data
190: ok 2987 # correct ring bond data
190: ok 2988 # correct ring bond data
190: ok 2989 # correct ring bond data
190: ok 2990 # correct ring bond data
190: ok 2991 # correct ring bond data
190: ok 2992 # SSSR size matches reference
190: ok 2993 # correct SSSR count
190: ok 2994 # ring membership passed
190: ok 2995 # correct SSSR count
190: ok 2996 # ring membership passed
190: ok 2997 # correct SSSR count
190: ok 2998 # ring membership passed
190: ok 2999 # correct SSSR count
190: ok 3000 # ring membership passed
190: ok 3001 # correct SSSR count
190: ok 3002 # ring membership passed
190: ok 3003 # correct SSSR count
190: ok 3004 # ring membership passed
190: ok 3005 # correct SSSR count
190: ok 3006 # ring membership passed
190: ok 3007 # correct SSSR count
190: ok 3008 # ring membership passed
190: ok 3009 # correct SSSR count
190: ok 3010 # ring membership passed
190: ok 3011 # correct SSSR count
190: ok 3012 # ring membership passed
190: ok 3013 # correct SSSR count
190: ok 3014 # ring membership passed
190: ok 3015 # correct SSSR count
190: ok 3016 # ring membership passed
190: ok 3017 # correct SSSR count
190: ok 3018 # ring membership passed
190: ok 3019 # correct SSSR count
190: ok 3020 # ring membership passed
190: ok 3021 # correct ring bond data
190: ok 3022 # correct ring bond data
190: ok 3023 # correct ring bond data
190: ok 3024 # correct ring bond data
190: ok 3025 # correct ring bond data
190: ok 3026 # correct ring bond data
190: ok 3027 # correct ring bond data
190: ok 3028 # correct ring bond data
190: ok 3029 # correct ring bond data
190: ok 3030 # correct ring bond data
190: ok 3031 # correct ring bond data
190: ok 3032 # correct ring bond data
190: ok 3033 # correct ring bond data
190: ok 3034 # correct ring bond data
190: ok 3035 # correct ring bond data
190: ok 3036 # correct ring bond data
190: ok 3037 # correct ring bond data
190: ok 3038 # correct ring bond data
190: ok 3039 # correct ring bond data
190: ok 3040 # correct ring bond data
190: ok 3041 # SSSR size matches reference
190: ok 3042 # correct SSSR count
190: ok 3043 # ring membership passed
190: ok 3044 # correct SSSR count
190: ok 3045 # ring membership passed
190: ok 3046 # correct SSSR count
190: ok 3047 # ring membership passed
190: ok 3048 # correct SSSR count
190: ok 3049 # ring membership passed
190: ok 3050 # correct SSSR count
190: ok 3051 # ring membership passed
190: ok 3052 # correct SSSR count
190: ok 3053 # ring membership passed
190: ok 3054 # correct SSSR count
190: ok 3055 # ring membership passed
190: ok 3056 # correct SSSR count
190: ok 3057 # ring membership passed
190: ok 3058 # correct SSSR count
190: ok 3059 # ring membership passed
190: ok 3060 # correct SSSR count
190: ok 3061 # ring membership passed
190: ok 3062 # correct SSSR count
190: ok 3063 # ring membership passed
190: ok 3064 # correct SSSR count
190: ok 3065 # ring membership passed
190: ok 3066 # correct SSSR count
190: ok 3067 # ring membership passed
190: ok 3068 # correct SSSR count
190: ok 3069 # ring membership passed
190: ok 3070 # correct SSSR count
190: ok 3071 # ring membership passed
190: ok 3072 # correct SSSR count
190: ok 3073 # ring membership passed
190: ok 3074 # correct SSSR count
190: ok 3075 # ring membership passed
190: ok 3076 # correct SSSR count
190: ok 3077 # ring membership passed
190: ok 3078 # correct SSSR count
190: ok 3079 # ring membership passed
190: ok 3080 # correct ring bond data
190: ok 3081 # correct ring bond data
190: ok 3082 # correct ring bond data
190: ok 3083 # correct ring bond data
190: ok 3084 # correct ring bond data
190: ok 3085 # correct ring bond data
190: ok 3086 # correct ring bond data
190: ok 3087 # correct ring bond data
190: ok 3088 # correct ring bond data
190: ok 3089 # correct ring bond data
190: ok 3090 # correct ring bond data
190: ok 3091 # correct ring bond data
190: ok 3092 # correct ring bond data
190: ok 3093 # correct ring bond data
190: ok 3094 # correct ring bond data
190: ok 3095 # correct ring bond data
190: ok 3096 # correct ring bond data
190: ok 3097 # correct ring bond data
190: ok 3098 # correct ring bond data
190: ok 3099 # correct ring bond data
190: ok 3100 # correct ring bond data
190: ok 3101 # SSSR size matches reference
190: ok 3102 # correct SSSR count
190: ok 3103 # ring membership passed
190: ok 3104 # correct SSSR count
190: ok 3105 # ring membership passed
190: ok 3106 # correct SSSR count
190: ok 3107 # ring membership passed
190: ok 3108 # correct SSSR count
190: ok 3109 # ring membership passed
190: ok 3110 # correct SSSR count
190: ok 3111 # ring membership passed
190: ok 3112 # correct SSSR count
190: ok 3113 # ring membership passed
190: ok 3114 # correct SSSR count
190: ok 3115 # ring membership passed
190: ok 3116 # correct SSSR count
190: ok 3117 # ring membership passed
190: ok 3118 # correct SSSR count
190: ok 3119 # ring membership passed
190: ok 3120 # correct SSSR count
190: ok 3121 # ring membership passed
190: ok 3122 # correct SSSR count
190: ok 3123 # ring membership passed
190: ok 3124 # correct SSSR count
190: ok 3125 # ring membership passed
190: ok 3126 # correct SSSR count
190: ok 3127 # ring membership passed
190: ok 3128 # correct SSSR count
190: ok 3129 # ring membership passed
190: ok 3130 # correct SSSR count
190: ok 3131 # ring membership passed
190: ok 3132 # correct SSSR count
190: ok 3133 # ring membership passed
190: ok 3134 # correct SSSR count
190: ok 3135 # ring membership passed
190: ok 3136 # correct SSSR count
190: ok 3137 # ring membership passed
190: ok 3138 # correct SSSR count
190: ok 3139 # ring membership passed
190: ok 3140 # correct SSSR count
190: ok 3141 # ring membership passed
190: ok 3142 # correct ring bond data
190: ok 3143 # correct ring bond data
190: ok 3144 # correct ring bond data
190: ok 3145 # correct ring bond data
190: ok 3146 # correct ring bond data
190: ok 3147 # correct ring bond data
190: ok 3148 # correct ring bond data
190: ok 3149 # correct ring bond data
190: ok 3150 # correct ring bond data
190: ok 3151 # correct ring bond data
190: ok 3152 # correct ring bond data
190: ok 3153 # correct ring bond data
190: ok 3154 # correct ring bond data
190: ok 3155 # correct ring bond data
190: ok 3156 # correct ring bond data
190: ok 3157 # correct ring bond data
190: ok 3158 # correct ring bond data
190: ok 3159 # correct ring bond data
190: ok 3160 # correct ring bond data
190: ok 3161 # correct ring bond data
190: ok 3162 # correct ring bond data
190: ok 3163 # correct ring bond data
190: ok 3164 # SSSR size matches reference
190: ok 3165 # correct SSSR count
190: ok 3166 # ring membership passed
190: ok 3167 # correct SSSR count
190: ok 3168 # ring membership passed
190: ok 3169 # correct SSSR count
190: ok 3170 # ring membership passed
190: ok 3171 # correct SSSR count
190: ok 3172 # ring membership passed
190: ok 3173 # correct SSSR count
190: ok 3174 # ring membership passed
190: ok 3175 # correct SSSR count
190: ok 3176 # ring membership passed
190: ok 3177 # correct SSSR count
190: ok 3178 # ring membership passed
190: ok 3179 # correct SSSR count
190: ok 3180 # ring membership passed
190: ok 3181 # correct SSSR count
190: ok 3182 # ring membership passed
190: ok 3183 # correct SSSR count
190: ok 3184 # ring membership passed
190: ok 3185 # correct SSSR count
190: ok 3186 # ring membership passed
190: ok 3187 # correct SSSR count
190: ok 3188 # ring membership passed
190: ok 3189 # correct SSSR count
190: ok 3190 # ring membership passed
190: ok 3191 # correct SSSR count
190: ok 3192 # ring membership passed
190: ok 3193 # correct SSSR count
190: ok 3194 # ring membership passed
190: ok 3195 # correct SSSR count
190: ok 3196 # ring membership passed
190: ok 3197 # correct SSSR count
190: ok 3198 # ring membership passed
190: ok 3199 # correct SSSR count
190: ok 3200 # ring membership passed
190: ok 3201 # correct SSSR count
190: ok 3202 # ring membership passed
190: ok 3203 # correct SSSR count
190: ok 3204 # ring membership passed
190: ok 3205 # correct SSSR count
190: ok 3206 # ring membership passed
190: ok 3207 # correct SSSR count
190: ok 3208 # ring membership passed
190: ok 3209 # correct ring bond data
190: ok 3210 # correct ring bond data
190: ok 3211 # correct ring bond data
190: ok 3212 # correct ring bond data
190: ok 3213 # correct ring bond data
190: ok 3214 # correct ring bond data
190: ok 3215 # correct ring bond data
190: ok 3216 # correct ring bond data
190: ok 3217 # correct ring bond data
190: ok 3218 # correct ring bond data
190: ok 3219 # correct ring bond data
190: ok 3220 # correct ring bond data
190: ok 3221 # correct ring bond data
190: ok 3222 # correct ring bond data
190: ok 3223 # correct ring bond data
190: ok 3224 # correct ring bond data
190: ok 3225 # correct ring bond data
190: ok 3226 # correct ring bond data
190: ok 3227 # correct ring bond data
190: ok 3228 # correct ring bond data
190: ok 3229 # SSSR size matches reference
190: ok 3230 # correct SSSR count
190: ok 3231 # ring membership passed
190: ok 3232 # correct SSSR count
190: ok 3233 # ring membership passed
190: ok 3234 # correct SSSR count
190: ok 3235 # ring membership passed
190: ok 3236 # correct SSSR count
190: ok 3237 # ring membership passed
190: ok 3238 # correct SSSR count
190: ok 3239 # ring membership passed
190: ok 3240 # correct SSSR count
190: ok 3241 # ring membership passed
190: ok 3242 # correct SSSR count
190: ok 3243 # ring membership passed
190: ok 3244 # correct SSSR count
190: ok 3245 # ring membership passed
190: ok 3246 # correct SSSR count
190: ok 3247 # ring membership passed
190: ok 3248 # correct SSSR count
190: ok 3249 # ring membership passed
190: ok 3250 # correct SSSR count
190: ok 3251 # ring membership passed
190: ok 3252 # correct SSSR count
190: ok 3253 # ring membership passed
190: ok 3254 # correct SSSR count
190: ok 3255 # ring membership passed
190: ok 3256 # correct SSSR count
190: ok 3257 # ring membership passed
190: ok 3258 # correct SSSR count
190: ok 3259 # ring membership passed
190: ok 3260 # correct SSSR count
190: ok 3261 # ring membership passed
190: ok 3262 # correct SSSR count
190: ok 3263 # ring membership passed
190: ok 3264 # correct SSSR count
190: ok 3265 # ring membership passed
190: ok 3266 # correct SSSR count
190: ok 3267 # ring membership passed
190: ok 3268 # correct ring bond data
190: ok 3269 # correct ring bond data
190: ok 3270 # correct ring bond data
190: ok 3271 # correct ring bond data
190: ok 3272 # correct ring bond data
190: ok 3273 # correct ring bond data
190: ok 3274 # correct ring bond data
190: ok 3275 # correct ring bond data
190: ok 3276 # correct ring bond data
190: ok 3277 # correct ring bond data
190: ok 3278 # correct ring bond data
190: ok 3279 # correct ring bond data
190: ok 3280 # correct ring bond data
190: ok 3281 # correct ring bond data
190: ok 3282 # correct ring bond data
190: ok 3283 # correct ring bond data
190: ok 3284 # correct ring bond data
190: ok 3285 # correct ring bond data
190: ok 3286 # correct ring bond data
190: ok 3287 # correct ring bond data
190: ok 3288 # correct ring bond data
190: ok 3289 # correct ring bond data
190: ok 3290 # SSSR size matches reference
190: ok 3291 # correct SSSR count
190: ok 3292 # ring membership passed
190: ok 3293 # correct SSSR count
190: ok 3294 # ring membership passed
190: ok 3295 # correct SSSR count
190: ok 3296 # ring membership passed
190: ok 3297 # correct SSSR count
190: ok 3298 # ring membership passed
190: ok 3299 # correct SSSR count
190: ok 3300 # ring membership passed
190: ok 3301 # correct SSSR count
190: ok 3302 # ring membership passed
190: ok 3303 # correct SSSR count
190: ok 3304 # ring membership passed
190: ok 3305 # correct SSSR count
190: ok 3306 # ring membership passed
190: ok 3307 # correct SSSR count
190: ok 3308 # ring membership passed
190: ok 3309 # correct SSSR count
190: ok 3310 # ring membership passed
190: ok 3311 # correct SSSR count
190: ok 3312 # ring membership passed
190: ok 3313 # correct SSSR count
190: ok 3314 # ring membership passed
190: ok 3315 # correct SSSR count
190: ok 3316 # ring membership passed
190: ok 3317 # correct SSSR count
190: ok 3318 # ring membership passed
190: ok 3319 # correct SSSR count
190: ok 3320 # ring membership passed
190: ok 3321 # correct SSSR count
190: ok 3322 # ring membership passed
190: ok 3323 # correct SSSR count
190: ok 3324 # ring membership passed
190: ok 3325 # correct SSSR count
190: ok 3326 # ring membership passed
190: ok 3327 # correct SSSR count
190: ok 3328 # ring membership passed
190: ok 3329 # correct SSSR count
190: ok 3330 # ring membership passed
190: ok 3331 # correct SSSR count
190: ok 3332 # ring membership passed
190: ok 3333 # correct ring bond data
190: ok 3334 # correct ring bond data
190: ok 3335 # correct ring bond data
190: ok 3336 # correct ring bond data
190: ok 3337 # correct ring bond data
190: ok 3338 # correct ring bond data
190: ok 3339 # correct ring bond data
190: ok 3340 # correct ring bond data
190: ok 3341 # correct ring bond data
190: ok 3342 # correct ring bond data
190: ok 3343 # correct ring bond data
190: ok 3344 # correct ring bond data
190: ok 3345 # correct ring bond data
190: ok 3346 # correct ring bond data
190: ok 3347 # correct ring bond data
190: ok 3348 # correct ring bond data
190: ok 3349 # correct ring bond data
190: ok 3350 # correct ring bond data
190: ok 3351 # correct ring bond data
190: ok 3352 # correct ring bond data
190: ok 3353 # correct ring bond data
190: ok 3354 # SSSR size matches reference
190: ok 3355 # correct SSSR count
190: ok 3356 # ring membership passed
190: ok 3357 # correct SSSR count
190: ok 3358 # ring membership passed
190: ok 3359 # correct SSSR count
190: ok 3360 # ring membership passed
190: ok 3361 # correct SSSR count
190: ok 3362 # ring membership passed
190: ok 3363 # correct SSSR count
190: ok 3364 # ring membership passed
190: ok 3365 # correct SSSR count
190: ok 3366 # ring membership passed
190: ok 3367 # correct SSSR count
190: ok 3368 # ring membership passed
190: ok 3369 # correct SSSR count
190: ok 3370 # ring membership passed
190: ok 3371 # correct SSSR count
190: ok 3372 # ring membership passed
190: ok 3373 # correct SSSR count
190: ok 3374 # ring membership passed
190: ok 3375 # correct SSSR count
190: ok 3376 # ring membership passed
190: ok 3377 # correct SSSR count
190: ok 3378 # ring membership passed
190: ok 3379 # correct SSSR count
190: ok 3380 # ring membership passed
190: ok 3381 # correct SSSR count
190: ok 3382 # ring membership passed
190: ok 3383 # correct SSSR count
190: ok 3384 # ring membership passed
190: ok 3385 # correct SSSR count
190: ok 3386 # ring membership passed
190: ok 3387 # correct SSSR count
190: ok 3388 # ring membership passed
190: ok 3389 # correct SSSR count
190: ok 3390 # ring membership passed
190: ok 3391 # correct SSSR count
190: ok 3392 # ring membership passed
190: ok 3393 # correct SSSR count
190: ok 3394 # ring membership passed
190: ok 3395 # correct ring bond data
190: ok 3396 # correct ring bond data
190: ok 3397 # correct ring bond data
190: ok 3398 # correct ring bond data
190: ok 3399 # correct ring bond data
190: ok 3400 # correct ring bond data
190: ok 3401 # correct ring bond data
190: ok 3402 # correct ring bond data
190: ok 3403 # correct ring bond data
190: ok 3404 # correct ring bond data
190: ok 3405 # correct ring bond data
190: ok 3406 # correct ring bond data
190: ok 3407 # correct ring bond data
190: ok 3408 # correct ring bond data
190: ok 3409 # correct ring bond data
190: ok 3410 # correct ring bond data
190: ok 3411 # correct ring bond data
190: ok 3412 # correct ring bond data
190: ok 3413 # correct ring bond data
190: ok 3414 # correct ring bond data
190: ok 3415 # SSSR size matches reference
190: ok 3416 # correct SSSR count
190: ok 3417 # ring membership passed
190: ok 3418 # correct SSSR count
190: ok 3419 # ring membership passed
190: ok 3420 # correct SSSR count
190: ok 3421 # ring membership passed
190: ok 3422 # correct SSSR count
190: ok 3423 # ring membership passed
190: ok 3424 # correct SSSR count
190: ok 3425 # ring membership passed
190: ok 3426 # correct SSSR count
190: ok 3427 # ring membership passed
190: ok 3428 # correct SSSR count
190: ok 3429 # ring membership passed
190: ok 3430 # correct SSSR count
190: ok 3431 # ring membership passed
190: ok 3432 # correct SSSR count
190: ok 3433 # ring membership passed
190: ok 3434 # correct SSSR count
190: ok 3435 # ring membership passed
190: ok 3436 # correct SSSR count
190: ok 3437 # ring membership passed
190: ok 3438 # correct SSSR count
190: ok 3439 # ring membership passed
190: ok 3440 # correct SSSR count
190: ok 3441 # ring membership passed
190: ok 3442 # correct SSSR count
190: ok 3443 # ring membership passed
190: ok 3444 # correct SSSR count
190: ok 3445 # ring membership passed
190: ok 3446 # correct SSSR count
190: ok 3447 # ring membership passed
190: ok 3448 # correct SSSR count
190: ok 3449 # ring membership passed
190: ok 3450 # correct SSSR count
190: ok 3451 # ring membership passed
190: ok 3452 # correct SSSR count
190: ok 3453 # ring membership passed
190: ok 3454 # correct SSSR count
190: ok 3455 # ring membership passed
190: ok 3456 # correct ring bond data
190: ok 3457 # correct ring bond data
190: ok 3458 # correct ring bond data
190: ok 3459 # correct ring bond data
190: ok 3460 # correct ring bond data
190: ok 3461 # correct ring bond data
190: ok 3462 # correct ring bond data
190: ok 3463 # correct ring bond data
190: ok 3464 # correct ring bond data
190: ok 3465 # correct ring bond data
190: ok 3466 # correct ring bond data
190: ok 3467 # correct ring bond data
190: ok 3468 # correct ring bond data
190: ok 3469 # correct ring bond data
190: ok 3470 # correct ring bond data
190: ok 3471 # correct ring bond data
190: ok 3472 # correct ring bond data
190: ok 3473 # correct ring bond data
190: ok 3474 # correct ring bond data
190: ok 3475 # correct ring bond data
190: ok 3476 # correct ring bond data
190: ok 3477 # correct ring bond data
190: ok 3478 # SSSR size matches reference
190: ok 3479 # correct SSSR count
190: ok 3480 # ring membership passed
190: ok 3481 # correct SSSR count
190: ok 3482 # ring membership passed
190: ok 3483 # correct SSSR count
190: ok 3484 # ring membership passed
190: ok 3485 # correct SSSR count
190: ok 3486 # ring membership passed
190: ok 3487 # correct SSSR count
190: ok 3488 # ring membership passed
190: ok 3489 # correct SSSR count
190: ok 3490 # ring membership passed
190: ok 3491 # correct SSSR count
190: ok 3492 # ring membership passed
190: ok 3493 # correct SSSR count
190: ok 3494 # ring membership passed
190: ok 3495 # correct SSSR count
190: ok 3496 # ring membership passed
190: ok 3497 # correct SSSR count
190: ok 3498 # ring membership passed
190: ok 3499 # correct SSSR count
190: ok 3500 # ring membership passed
190: ok 3501 # correct SSSR count
190: ok 3502 # ring membership passed
190: ok 3503 # correct SSSR count
190: ok 3504 # ring membership passed
190: ok 3505 # correct SSSR count
190: ok 3506 # ring membership passed
190: ok 3507 # correct SSSR count
190: ok 3508 # ring membership passed
190: ok 3509 # correct SSSR count
190: ok 3510 # ring membership passed
190: ok 3511 # correct SSSR count
190: ok 3512 # ring membership passed
190: ok 3513 # correct SSSR count
190: ok 3514 # ring membership passed
190: ok 3515 # correct SSSR count
190: ok 3516 # ring membership passed
190: ok 3517 # correct SSSR count
190: ok 3518 # ring membership passed
190: ok 3519 # correct SSSR count
190: ok 3520 # ring membership passed
190: ok 3521 # correct ring bond data
190: ok 3522 # correct ring bond data
190: ok 3523 # correct ring bond data
190: ok 3524 # correct ring bond data
190: ok 3525 # correct ring bond data
190: ok 3526 # correct ring bond data
190: ok 3527 # correct ring bond data
190: ok 3528 # correct ring bond data
190: ok 3529 # correct ring bond data
190: ok 3530 # correct ring bond data
190: ok 3531 # correct ring bond data
190: ok 3532 # correct ring bond data
190: ok 3533 # correct ring bond data
190: ok 3534 # correct ring bond data
190: ok 3535 # correct ring bond data
190: ok 3536 # correct ring bond data
190: ok 3537 # correct ring bond data
190: ok 3538 # correct ring bond data
190: ok 3539 # correct ring bond data
190: ok 3540 # correct ring bond data
190: ok 3541 # correct ring bond data
190: ok 3542 # correct ring bond data
190: ok 3543 # correct ring bond data
190: ok 3544 # correct ring bond data
190: ok 3545 # correct ring bond data
190: ok 3546 # correct ring bond data
190: ok 3547 # correct ring bond data
190: ok 3548 # SSSR size matches reference
190: ok 3549 # correct SSSR count
190: ok 3550 # ring membership passed
190: ok 3551 # correct SSSR count
190: ok 3552 # ring membership passed
190: ok 3553 # correct SSSR count
190: ok 3554 # ring membership passed
190: ok 3555 # correct SSSR count
190: ok 3556 # ring membership passed
190: ok 3557 # correct SSSR count
190: ok 3558 # ring membership passed
190: ok 3559 # correct SSSR count
190: ok 3560 # ring membership passed
190: ok 3561 # correct SSSR count
190: ok 3562 # ring membership passed
190: ok 3563 # correct SSSR count
190: ok 3564 # ring membership passed
190: ok 3565 # correct SSSR count
190: ok 3566 # ring membership passed
190: ok 3567 # correct SSSR count
190: ok 3568 # ring membership passed
190: ok 3569 # correct SSSR count
190: ok 3570 # ring membership passed
190: ok 3571 # correct SSSR count
190: ok 3572 # ring membership passed
190: ok 3573 # correct SSSR count
190: ok 3574 # ring membership passed
190: ok 3575 # correct SSSR count
190: ok 3576 # ring membership passed
190: ok 3577 # correct SSSR count
190: ok 3578 # ring membership passed
190: ok 3579 # correct SSSR count
190: ok 3580 # ring membership passed
190: ok 3581 # correct SSSR count
190: ok 3582 # ring membership passed
190: ok 3583 # correct SSSR count
190: ok 3584 # ring membership passed
190: ok 3585 # correct SSSR count
190: ok 3586 # ring membership passed
190: ok 3587 # correct SSSR count
190: ok 3588 # ring membership passed
190: ok 3589 # correct SSSR count
190: ok 3590 # ring membership passed
190: ok 3591 # correct SSSR count
190: ok 3592 # ring membership passed
190: ok 3593 # correct SSSR count
190: ok 3594 # ring membership passed
190: ok 3595 # correct SSSR count
190: ok 3596 # ring membership passed
190: ok 3597 # correct SSSR count
190: ok 3598 # ring membership passed
190: ok 3599 # correct ring bond data
190: ok 3600 # correct ring bond data
190: ok 3601 # correct ring bond data
190: ok 3602 # correct ring bond data
190: ok 3603 # correct ring bond data
190: ok 3604 # correct ring bond data
190: ok 3605 # correct ring bond data
190: ok 3606 # correct ring bond data
190: ok 3607 # correct ring bond data
190: ok 3608 # correct ring bond data
190: ok 3609 # correct ring bond data
190: ok 3610 # correct ring bond data
190: ok 3611 # correct ring bond data
190: ok 3612 # correct ring bond data
190: ok 3613 # SSSR size matches reference
190: ok 3614 # correct SSSR count
190: ok 3615 # ring membership passed
190: ok 3616 # correct SSSR count
190: ok 3617 # ring membership passed
190: ok 3618 # correct SSSR count
190: ok 3619 # ring membership passed
190: ok 3620 # correct SSSR count
190: ok 3621 # ring membership passed
190: ok 3622 # correct SSSR count
190: ok 3623 # ring membership passed
190: ok 3624 # correct SSSR count
190: ok 3625 # ring membership passed
190: ok 3626 # correct SSSR count
190: ok 3627 # ring membership passed
190: ok 3628 # correct SSSR count
190: ok 3629 # ring membership passed
190: ok 3630 # correct SSSR count
190: ok 3631 # ring membership passed
190: ok 3632 # correct SSSR count
190: ok 3633 # ring membership passed
190: ok 3634 # correct SSSR count
190: ok 3635 # ring membership passed
190: ok 3636 # correct SSSR count
190: ok 3637 # ring membership passed
190: ok 3638 # correct SSSR count
190: ok 3639 # ring membership passed
190: ok 3640 # correct SSSR count
190: ok 3641 # ring membership passed
190: ok 3642 # correct ring bond data
190: ok 3643 # correct ring bond data
190: ok 3644 # correct ring bond data
190: ok 3645 # correct ring bond data
190: ok 3646 # correct ring bond data
190: ok 3647 # correct ring bond data
190: ok 3648 # correct ring bond data
190: ok 3649 # correct ring bond data
190: ok 3650 # correct ring bond data
190: ok 3651 # correct ring bond data
190: ok 3652 # correct ring bond data
190: ok 3653 # correct ring bond data
190: ok 3654 # correct ring bond data
190: ok 3655 # correct ring bond data
190: ok 3656 # correct ring bond data
190: ok 3657 # correct ring bond data
190: ok 3658 # correct ring bond data
190: ok 3659 # correct ring bond data
190: ok 3660 # correct ring bond data
190: ok 3661 # correct ring bond data
190: ok 3662 # correct ring bond data
190: ok 3663 # correct ring bond data
190: ok 3664 # SSSR size matches reference
190: ok 3665 # correct SSSR count
190: ok 3666 # ring membership passed
190: ok 3667 # correct SSSR count
190: ok 3668 # ring membership passed
190: ok 3669 # correct SSSR count
190: ok 3670 # ring membership passed
190: ok 3671 # correct SSSR count
190: ok 3672 # ring membership passed
190: ok 3673 # correct SSSR count
190: ok 3674 # ring membership passed
190: ok 3675 # correct SSSR count
190: ok 3676 # ring membership passed
190: ok 3677 # correct SSSR count
190: ok 3678 # ring membership passed
190: ok 3679 # correct SSSR count
190: ok 3680 # ring membership passed
190: ok 3681 # correct SSSR count
190: ok 3682 # ring membership passed
190: ok 3683 # correct SSSR count
190: ok 3684 # ring membership passed
190: ok 3685 # correct SSSR count
190: ok 3686 # ring membership passed
190: ok 3687 # correct SSSR count
190: ok 3688 # ring membership passed
190: ok 3689 # correct SSSR count
190: ok 3690 # ring membership passed
190: ok 3691 # correct SSSR count
190: ok 3692 # ring membership passed
190: ok 3693 # correct SSSR count
190: ok 3694 # ring membership passed
190: ok 3695 # correct SSSR count
190: ok 3696 # ring membership passed
190: ok 3697 # correct SSSR count
190: ok 3698 # ring membership passed
190: ok 3699 # correct SSSR count
190: ok 3700 # ring membership passed
190: ok 3701 # correct SSSR count
190: ok 3702 # ring membership passed
190: ok 3703 # correct SSSR count
190: ok 3704 # ring membership passed
190: ok 3705 # correct SSSR count
190: ok 3706 # ring membership passed
190: ok 3707 # correct SSSR count
190: ok 3708 # ring membership passed
190: ok 3709 # correct ring bond data
190: ok 3710 # correct ring bond data
190: ok 3711 # correct ring bond data
190: ok 3712 # correct ring bond data
190: ok 3713 # correct ring bond data
190: ok 3714 # correct ring bond data
190: ok 3715 # correct ring bond data
190: ok 3716 # correct ring bond data
190: ok 3717 # correct ring bond data
190: ok 3718 # correct ring bond data
190: ok 3719 # correct ring bond data
190: ok 3720 # correct ring bond data
190: ok 3721 # correct ring bond data
190: ok 3722 # SSSR size matches reference
190: ok 3723 # correct SSSR count
190: ok 3724 # ring membership passed
190: ok 3725 # correct SSSR count
190: ok 3726 # ring membership passed
190: ok 3727 # correct SSSR count
190: ok 3728 # ring membership passed
190: ok 3729 # correct SSSR count
190: ok 3730 # ring membership passed
190: ok 3731 # correct SSSR count
190: ok 3732 # ring membership passed
190: ok 3733 # correct SSSR count
190: ok 3734 # ring membership passed
190: ok 3735 # correct SSSR count
190: ok 3736 # ring membership passed
190: ok 3737 # correct SSSR count
190: ok 3738 # ring membership passed
190: ok 3739 # correct SSSR count
190: ok 3740 # ring membership passed
190: ok 3741 # correct SSSR count
190: ok 3742 # ring membership passed
190: ok 3743 # correct SSSR count
190: ok 3744 # ring membership passed
190: ok 3745 # correct SSSR count
190: ok 3746 # ring membership passed
190: ok 3747 # correct SSSR count
190: ok 3748 # ring membership passed
190: ok 3749 # correct SSSR count
190: ok 3750 # ring membership passed
190: ok 3751 # correct ring bond data
190: ok 3752 # correct ring bond data
190: ok 3753 # correct ring bond data
190: ok 3754 # correct ring bond data
190: ok 3755 # correct ring bond data
190: ok 3756 # correct ring bond data
190: ok 3757 # correct ring bond data
190: ok 3758 # correct ring bond data
190: ok 3759 # correct ring bond data
190: ok 3760 # correct ring bond data
190: ok 3761 # correct ring bond data
190: ok 3762 # correct ring bond data
190: ok 3763 # correct ring bond data
190: ok 3764 # correct ring bond data
190: ok 3765 # correct ring bond data
190: ok 3766 # correct ring bond data
190: ok 3767 # correct ring bond data
190: ok 3768 # correct ring bond data
190: ok 3769 # correct ring bond data
190: ok 3770 # correct ring bond data
190: ok 3771 # correct ring bond data
190: ok 3772 # correct ring bond data
190: ok 3773 # correct ring bond data
190: ok 3774 # correct ring bond data
190: ok 3775 # correct ring bond data
190: ok 3776 # correct ring bond data
190: ok 3777 # correct ring bond data
190: ok 3778 # correct ring bond data
190: ok 3779 # correct ring bond data
190: ok 3780 # correct ring bond data
190: ok 3781 # correct ring bond data
190: ok 3782 # SSSR size matches reference
190: ok 3783 # correct SSSR count
190: ok 3784 # ring membership passed
190: ok 3785 # correct SSSR count
190: ok 3786 # ring membership passed
190: ok 3787 # correct SSSR count
190: ok 3788 # ring membership passed
190: ok 3789 # correct SSSR count
190: ok 3790 # ring membership passed
190: ok 3791 # correct SSSR count
190: ok 3792 # ring membership passed
190: ok 3793 # correct SSSR count
190: ok 3794 # ring membership passed
190: ok 3795 # correct SSSR count
190: ok 3796 # ring membership passed
190: ok 3797 # correct SSSR count
190: ok 3798 # ring membership passed
190: ok 3799 # correct SSSR count
190: ok 3800 # ring membership passed
190: ok 3801 # correct SSSR count
190: ok 3802 # ring membership passed
190: ok 3803 # correct SSSR count
190: ok 3804 # ring membership passed
190: ok 3805 # correct SSSR count
190: ok 3806 # ring membership passed
190: ok 3807 # correct SSSR count
190: ok 3808 # ring membership passed
190: ok 3809 # correct SSSR count
190: ok 3810 # ring membership passed
190: ok 3811 # correct SSSR count
190: ok 3812 # ring membership passed
190: ok 3813 # correct SSSR count
190: ok 3814 # ring membership passed
190: ok 3815 # correct SSSR count
190: ok 3816 # ring membership passed
190: ok 3817 # correct SSSR count
190: ok 3818 # ring membership passed
190: ok 3819 # correct SSSR count
190: ok 3820 # ring membership passed
190: ok 3821 # correct SSSR count
190: ok 3822 # ring membership passed
190: ok 3823 # correct SSSR count
190: ok 3824 # ring membership passed
190: ok 3825 # correct SSSR count
190: ok 3826 # ring membership passed
190: ok 3827 # correct SSSR count
190: ok 3828 # ring membership passed
190: ok 3829 # correct SSSR count
190: ok 3830 # ring membership passed
190: ok 3831 # correct SSSR count
190: ok 3832 # ring membership passed
190: ok 3833 # correct SSSR count
190: ok 3834 # ring membership passed
190: ok 3835 # correct SSSR count
190: ok 3836 # ring membership passed
190: ok 3837 # correct SSSR count
190: ok 3838 # ring membership passed
190: ok 3839 # correct ring bond data
190: ok 3840 # correct ring bond data
190: ok 3841 # correct ring bond data
190: ok 3842 # correct ring bond data
190: ok 3843 # correct ring bond data
190: ok 3844 # correct ring bond data
190: ok 3845 # correct ring bond data
190: ok 3846 # correct ring bond data
190: ok 3847 # correct ring bond data
190: ok 3848 # correct ring bond data
190: ok 3849 # correct ring bond data
190: ok 3850 # correct ring bond data
190: ok 3851 # correct ring bond data
190: ok 3852 # correct ring bond data
190: ok 3853 # correct ring bond data
190: ok 3854 # correct ring bond data
190: ok 3855 # correct ring bond data
190: ok 3856 # correct ring bond data
190: ok 3857 # correct ring bond data
190: ok 3858 # correct ring bond data
190: ok 3859 # correct ring bond data
190: ok 3860 # correct ring bond data
190: ok 3861 # correct ring bond data
190: ok 3862 # correct ring bond data
190: ok 3863 # SSSR size matches reference
190: ok 3864 # correct SSSR count
190: ok 3865 # ring membership passed
190: ok 3866 # correct SSSR count
190: ok 3867 # ring membership passed
190: ok 3868 # correct SSSR count
190: ok 3869 # ring membership passed
190: ok 3870 # correct SSSR count
190: ok 3871 # ring membership passed
190: ok 3872 # correct SSSR count
190: ok 3873 # ring membership passed
190: ok 3874 # correct SSSR count
190: ok 3875 # ring membership passed
190: ok 3876 # correct SSSR count
190: ok 3877 # ring membership passed
190: ok 3878 # correct SSSR count
190: ok 3879 # ring membership passed
190: ok 3880 # correct SSSR count
190: ok 3881 # ring membership passed
190: ok 3882 # correct SSSR count
190: ok 3883 # ring membership passed
190: ok 3884 # correct SSSR count
190: ok 3885 # ring membership passed
190: ok 3886 # correct SSSR count
190: ok 3887 # ring membership passed
190: ok 3888 # correct SSSR count
190: ok 3889 # ring membership passed
190: ok 3890 # correct SSSR count
190: ok 3891 # ring membership passed
190: ok 3892 # correct SSSR count
190: ok 3893 # ring membership passed
190: ok 3894 # correct SSSR count
190: ok 3895 # ring membership passed
190: ok 3896 # correct SSSR count
190: ok 3897 # ring membership passed
190: ok 3898 # correct SSSR count
190: ok 3899 # ring membership passed
190: ok 3900 # correct SSSR count
190: ok 3901 # ring membership passed
190: ok 3902 # correct SSSR count
190: ok 3903 # ring membership passed
190: ok 3904 # correct SSSR count
190: ok 3905 # ring membership passed
190: ok 3906 # correct SSSR count
190: ok 3907 # ring membership passed
190: ok 3908 # correct ring bond data
190: ok 3909 # correct ring bond data
190: ok 3910 # correct ring bond data
190: ok 3911 # correct ring bond data
190: ok 3912 # correct ring bond data
190: ok 3913 # correct ring bond data
190: ok 3914 # correct ring bond data
190: ok 3915 # correct ring bond data
190: ok 3916 # correct ring bond data
190: ok 3917 # correct ring bond data
190: ok 3918 # correct ring bond data
190: ok 3919 # correct ring bond data
190: ok 3920 # correct ring bond data
190: ok 3921 # correct ring bond data
190: ok 3922 # correct ring bond data
190: ok 3923 # correct ring bond data
190: ok 3924 # correct ring bond data
190: ok 3925 # correct ring bond data
190: ok 3926 # correct ring bond data
190: ok 3927 # correct ring bond data
190: ok 3928 # correct ring bond data
190: ok 3929 # correct ring bond data
190: ok 3930 # correct ring bond data
190: ok 3931 # SSSR size matches reference
190: ok 3932 # correct SSSR count
190: ok 3933 # ring membership passed
190: ok 3934 # correct SSSR count
190: ok 3935 # ring membership passed
190: ok 3936 # correct SSSR count
190: ok 3937 # ring membership passed
190: ok 3938 # correct SSSR count
190: ok 3939 # ring membership passed
190: ok 3940 # correct SSSR count
190: ok 3941 # ring membership passed
190: ok 3942 # correct SSSR count
190: ok 3943 # ring membership passed
190: ok 3944 # correct SSSR count
190: ok 3945 # ring membership passed
190: ok 3946 # correct SSSR count
190: ok 3947 # ring membership passed
190: ok 3948 # correct SSSR count
190: ok 3949 # ring membership passed
190: ok 3950 # correct SSSR count
190: ok 3951 # ring membership passed
190: ok 3952 # correct SSSR count
190: ok 3953 # ring membership passed
190: ok 3954 # correct SSSR count
190: ok 3955 # ring membership passed
190: ok 3956 # correct SSSR count
190: ok 3957 # ring membership passed
190: ok 3958 # correct SSSR count
190: ok 3959 # ring membership passed
190: ok 3960 # correct SSSR count
190: ok 3961 # ring membership passed
190: ok 3962 # correct SSSR count
190: ok 3963 # ring membership passed
190: ok 3964 # correct SSSR count
190: ok 3965 # ring membership passed
190: ok 3966 # correct SSSR count
190: ok 3967 # ring membership passed
190: ok 3968 # correct SSSR count
190: ok 3969 # ring membership passed
190: ok 3970 # correct SSSR count
190: ok 3971 # ring membership passed
190: ok 3972 # correct SSSR count
190: ok 3973 # ring membership passed
190: ok 3974 # correct ring bond data
190: ok 3975 # correct ring bond data
190: ok 3976 # correct ring bond data
190: ok 3977 # correct ring bond data
190: ok 3978 # correct ring bond data
190: ok 3979 # correct ring bond data
190: ok 3980 # correct ring bond data
190: ok 3981 # correct ring bond data
190: ok 3982 # correct ring bond data
190: ok 3983 # correct ring bond data
190: ok 3984 # correct ring bond data
190: ok 3985 # correct ring bond data
190: ok 3986 # correct ring bond data
190: ok 3987 # SSSR size matches reference
190: ok 3988 # correct SSSR count
190: ok 3989 # ring membership passed
190: ok 3990 # correct SSSR count
190: ok 3991 # ring membership passed
190: ok 3992 # correct SSSR count
190: ok 3993 # ring membership passed
190: ok 3994 # correct SSSR count
190: ok 3995 # ring membership passed
190: ok 3996 # correct SSSR count
190: ok 3997 # ring membership passed
190: ok 3998 # correct SSSR count
190: ok 3999 # ring membership passed
190: ok 4000 # correct SSSR count
190: ok 4001 # ring membership passed
190: ok 4002 # correct SSSR count
190: ok 4003 # ring membership passed
190: ok 4004 # correct SSSR count
190: ok 4005 # ring membership passed
190: ok 4006 # correct SSSR count
190: ok 4007 # ring membership passed
190: ok 4008 # correct SSSR count
190: ok 4009 # ring membership passed
190: ok 4010 # correct SSSR count
190: ok 4011 # ring membership passed
190: ok 4012 # correct SSSR count
190: ok 4013 # ring membership passed
190: ok 4014 # correct ring bond data
190: ok 4015 # correct ring bond data
190: ok 4016 # correct ring bond data
190: ok 4017 # correct ring bond data
190: ok 4018 # correct ring bond data
190: ok 4019 # correct ring bond data
190: ok 4020 # correct ring bond data
190: ok 4021 # correct ring bond data
190: ok 4022 # correct ring bond data
190: ok 4023 # correct ring bond data
190: ok 4024 # correct ring bond data
190: ok 4025 # correct ring bond data
190: ok 4026 # correct ring bond data
190: ok 4027 # correct ring bond data
190: ok 4028 # correct ring bond data
190: ok 4029 # correct ring bond data
190: ok 4030 # correct ring bond data
190: ok 4031 # correct ring bond data
190: ok 4032 # correct ring bond data
190: ok 4033 # correct ring bond data
190: ok 4034 # correct ring bond data
190: ok 4035 # correct ring bond data
190: ok 4036 # correct ring bond data
190: ok 4037 # SSSR size matches reference
190: ok 4038 # correct SSSR count
190: ok 4039 # ring membership passed
190: ok 4040 # correct SSSR count
190: ok 4041 # ring membership passed
190: ok 4042 # correct SSSR count
190: ok 4043 # ring membership passed
190: ok 4044 # correct SSSR count
190: ok 4045 # ring membership passed
190: ok 4046 # correct SSSR count
190: ok 4047 # ring membership passed
190: ok 4048 # correct SSSR count
190: ok 4049 # ring membership passed
190: ok 4050 # correct SSSR count
190: ok 4051 # ring membership passed
190: ok 4052 # correct SSSR count
190: ok 4053 # ring membership passed
190: ok 4054 # correct SSSR count
190: ok 4055 # ring membership passed
190: ok 4056 # correct SSSR count
190: ok 4057 # ring membership passed
190: ok 4058 # correct SSSR count
190: ok 4059 # ring membership passed
190: ok 4060 # correct SSSR count
190: ok 4061 # ring membership passed
190: ok 4062 # correct SSSR count
190: ok 4063 # ring membership passed
190: ok 4064 # correct SSSR count
190: ok 4065 # ring membership passed
190: ok 4066 # correct SSSR count
190: ok 4067 # ring membership passed
190: ok 4068 # correct SSSR count
190: ok 4069 # ring membership passed
190: ok 4070 # correct SSSR count
190: ok 4071 # ring membership passed
190: ok 4072 # correct SSSR count
190: ok 4073 # ring membership passed
190: ok 4074 # correct SSSR count
190: ok 4075 # ring membership passed
190: ok 4076 # correct SSSR count
190: ok 4077 # ring membership passed
190: ok 4078 # correct SSSR count
190: ok 4079 # ring membership passed
190: ok 4080 # correct ring bond data
190: ok 4081 # correct ring bond data
190: ok 4082 # correct ring bond data
190: ok 4083 # correct ring bond data
190: ok 4084 # correct ring bond data
190: ok 4085 # correct ring bond data
190: ok 4086 # correct ring bond data
190: ok 4087 # correct ring bond data
190: ok 4088 # correct ring bond data
190: ok 4089 # correct ring bond data
190: ok 4090 # correct ring bond data
190: ok 4091 # correct ring bond data
190: ok 4092 # correct ring bond data
190: ok 4093 # correct ring bond data
190: ok 4094 # correct ring bond data
190: ok 4095 # correct ring bond data
190: ok 4096 # correct ring bond data
190: ok 4097 # SSSR size matches reference
190: ok 4098 # correct SSSR count
190: ok 4099 # ring membership passed
190: ok 4100 # correct SSSR count
190: ok 4101 # ring membership passed
190: ok 4102 # correct SSSR count
190: ok 4103 # ring membership passed
190: ok 4104 # correct SSSR count
190: ok 4105 # ring membership passed
190: ok 4106 # correct SSSR count
190: ok 4107 # ring membership passed
190: ok 4108 # correct SSSR count
190: ok 4109 # ring membership passed
190: ok 4110 # correct SSSR count
190: ok 4111 # ring membership passed
190: ok 4112 # correct SSSR count
190: ok 4113 # ring membership passed
190: ok 4114 # correct SSSR count
190: ok 4115 # ring membership passed
190: ok 4116 # correct SSSR count
190: ok 4117 # ring membership passed
190: ok 4118 # correct SSSR count
190: ok 4119 # ring membership passed
190: ok 4120 # correct SSSR count
190: ok 4121 # ring membership passed
190: ok 4122 # correct SSSR count
190: ok 4123 # ring membership passed
190: ok 4124 # correct SSSR count
190: ok 4125 # ring membership passed
190: ok 4126 # correct SSSR count
190: ok 4127 # ring membership passed
190: ok 4128 # correct SSSR count
190: ok 4129 # ring membership passed
190: ok 4130 # correct ring bond data
190: ok 4131 # correct ring bond data
190: ok 4132 # correct ring bond data
190: ok 4133 # correct ring bond data
190: ok 4134 # correct ring bond data
190: ok 4135 # correct ring bond data
190: ok 4136 # correct ring bond data
190: ok 4137 # correct ring bond data
190: ok 4138 # correct ring bond data
190: ok 4139 # correct ring bond data
190: ok 4140 # correct ring bond data
190: ok 4141 # correct ring bond data
190: ok 4142 # correct ring bond data
190: ok 4143 # correct ring bond data
190: ok 4144 # correct ring bond data
190: ok 4145 # correct ring bond data
190: ok 4146 # correct ring bond data
190: ok 4147 # correct ring bond data
190: ok 4148 # correct ring bond data
190: ok 4149 # correct ring bond data
190: ok 4150 # correct ring bond data
190: ok 4151 # correct ring bond data
190: ok 4152 # correct ring bond data
190: ok 4153 # correct ring bond data
190: ok 4154 # SSSR size matches reference
190: ok 4155 # correct SSSR count
190: ok 4156 # ring membership passed
190: ok 4157 # correct SSSR count
190: ok 4158 # ring membership passed
190: ok 4159 # correct SSSR count
190: ok 4160 # ring membership passed
190: ok 4161 # correct SSSR count
190: ok 4162 # ring membership passed
190: ok 4163 # correct SSSR count
190: ok 4164 # ring membership passed
190: ok 4165 # correct SSSR count
190: ok 4166 # ring membership passed
190: ok 4167 # correct SSSR count
190: ok 4168 # ring membership passed
190: ok 4169 # correct SSSR count
190: ok 4170 # ring membership passed
190: ok 4171 # correct SSSR count
190: ok 4172 # ring membership passed
190: ok 4173 # correct SSSR count
190: ok 4174 # ring membership passed
190: ok 4175 # correct SSSR count
190: ok 4176 # ring membership passed
190: ok 4177 # correct SSSR count
190: ok 4178 # ring membership passed
190: ok 4179 # correct SSSR count
190: ok 4180 # ring membership passed
190: ok 4181 # correct SSSR count
190: ok 4182 # ring membership passed
190: ok 4183 # correct SSSR count
190: ok 4184 # ring membership passed
190: ok 4185 # correct SSSR count
190: ok 4186 # ring membership passed
190: ok 4187 # correct SSSR count
190: ok 4188 # ring membership passed
190: ok 4189 # correct SSSR count
190: ok 4190 # ring membership passed
190: ok 4191 # correct SSSR count
190: ok 4192 # ring membership passed
190: ok 4193 # correct SSSR count
190: ok 4194 # ring membership passed
190: ok 4195 # correct SSSR count
190: ok 4196 # ring membership passed
190: ok 4197 # correct SSSR count
190: ok 4198 # ring membership passed
190: ok 4199 # correct ring bond data
190: ok 4200 # correct ring bond data
190: ok 4201 # correct ring bond data
190: ok 4202 # correct ring bond data
190: ok 4203 # correct ring bond data
190: ok 4204 # correct ring bond data
190: ok 4205 # correct ring bond data
190: ok 4206 # correct ring bond data
190: ok 4207 # correct ring bond data
190: ok 4208 # correct ring bond data
190: ok 4209 # correct ring bond data
190: ok 4210 # correct ring bond data
190: ok 4211 # correct ring bond data
190: ok 4212 # correct ring bond data
190: ok 4213 # correct ring bond data
190: ok 4214 # correct ring bond data
190: ok 4215 # correct ring bond data
190: ok 4216 # SSSR size matches reference
190: ok 4217 # correct SSSR count
190: ok 4218 # ring membership passed
190: ok 4219 # correct SSSR count
190: ok 4220 # ring membership passed
190: ok 4221 # correct SSSR count
190: ok 4222 # ring membership passed
190: ok 4223 # correct SSSR count
190: ok 4224 # ring membership passed
190: ok 4225 # correct SSSR count
190: ok 4226 # ring membership passed
190: ok 4227 # correct SSSR count
190: ok 4228 # ring membership passed
190: ok 4229 # correct SSSR count
190: ok 4230 # ring membership passed
190: ok 4231 # correct SSSR count
190: ok 4232 # ring membership passed
190: ok 4233 # correct SSSR count
190: ok 4234 # ring membership passed
190: ok 4235 # correct SSSR count
190: ok 4236 # ring membership passed
190: ok 4237 # correct SSSR count
190: ok 4238 # ring membership passed
190: ok 4239 # correct SSSR count
190: ok 4240 # ring membership passed
190: ok 4241 # correct SSSR count
190: ok 4242 # ring membership passed
190: ok 4243 # correct SSSR count
190: ok 4244 # ring membership passed
190: ok 4245 # correct SSSR count
190: ok 4246 # ring membership passed
190: ok 4247 # correct SSSR count
190: ok 4248 # ring membership passed
190: ok 4249 # correct ring bond data
190: ok 4250 # correct ring bond data
190: ok 4251 # correct ring bond data
190: ok 4252 # correct ring bond data
190: ok 4253 # correct ring bond data
190: ok 4254 # correct ring bond data
190: ok 4255 # correct ring bond data
190: ok 4256 # correct ring bond data
190: ok 4257 # correct ring bond data
190: ok 4258 # correct ring bond data
190: ok 4259 # correct ring bond data
190: ok 4260 # correct ring bond data
190: ok 4261 # correct ring bond data
190: ok 4262 # correct ring bond data
190: ok 4263 # correct ring bond data
190: ok 4264 # correct ring bond data
190: ok 4265 # correct ring bond data
190: ok 4266 # correct ring bond data
190: ok 4267 # SSSR size matches reference
190: ok 4268 # correct SSSR count
190: ok 4269 # ring membership passed
190: ok 4270 # correct SSSR count
190: ok 4271 # ring membership passed
190: ok 4272 # correct SSSR count
190: ok 4273 # ring membership passed
190: ok 4274 # correct SSSR count
190: ok 4275 # ring membership passed
190: ok 4276 # correct SSSR count
190: ok 4277 # ring membership passed
190: ok 4278 # correct SSSR count
190: ok 4279 # ring membership passed
190: ok 4280 # correct SSSR count
190: ok 4281 # ring membership passed
190: ok 4282 # correct SSSR count
190: ok 4283 # ring membership passed
190: ok 4284 # correct SSSR count
190: ok 4285 # ring membership passed
190: ok 4286 # correct SSSR count
190: ok 4287 # ring membership passed
190: ok 4288 # correct SSSR count
190: ok 4289 # ring membership passed
190: ok 4290 # correct SSSR count
190: ok 4291 # ring membership passed
190: ok 4292 # correct SSSR count
190: ok 4293 # ring membership passed
190: ok 4294 # correct SSSR count
190: ok 4295 # ring membership passed
190: ok 4296 # correct SSSR count
190: ok 4297 # ring membership passed
190: ok 4298 # correct SSSR count
190: ok 4299 # ring membership passed
190: ok 4300 # correct SSSR count
190: ok 4301 # ring membership passed
190: ok 4302 # correct ring bond data
190: ok 4303 # correct ring bond data
190: ok 4304 # correct ring bond data
190: ok 4305 # correct ring bond data
190: ok 4306 # correct ring bond data
190: ok 4307 # correct ring bond data
190: ok 4308 # correct ring bond data
190: ok 4309 # correct ring bond data
190: ok 4310 # correct ring bond data
190: ok 4311 # correct ring bond data
190: ok 4312 # correct ring bond data
190: ok 4313 # correct ring bond data
190: ok 4314 # correct ring bond data
190: ok 4315 # correct ring bond data
190: ok 4316 # correct ring bond data
190: ok 4317 # correct ring bond data
190: ok 4318 # correct ring bond data
190: ok 4319 # correct ring bond data
190: ok 4320 # correct ring bond data
190: ok 4321 # SSSR size matches reference
190: ok 4322 # correct SSSR count
190: ok 4323 # ring membership passed
190: ok 4324 # correct SSSR count
190: ok 4325 # ring membership passed
190: ok 4326 # correct SSSR count
190: ok 4327 # ring membership passed
190: ok 4328 # correct SSSR count
190: ok 4329 # ring membership passed
190: ok 4330 # correct SSSR count
190: ok 4331 # ring membership passed
190: ok 4332 # correct SSSR count
190: ok 4333 # ring membership passed
190: ok 4334 # correct SSSR count
190: ok 4335 # ring membership passed
190: ok 4336 # correct SSSR count
190: ok 4337 # ring membership passed
190: ok 4338 # correct SSSR count
190: ok 4339 # ring membership passed
190: ok 4340 # correct SSSR count
190: ok 4341 # ring membership passed
190: ok 4342 # correct SSSR count
190: ok 4343 # ring membership passed
190: ok 4344 # correct SSSR count
190: ok 4345 # ring membership passed
190: ok 4346 # correct SSSR count
190: ok 4347 # ring membership passed
190: ok 4348 # correct SSSR count
190: ok 4349 # ring membership passed
190: ok 4350 # correct SSSR count
190: ok 4351 # ring membership passed
190: ok 4352 # correct SSSR count
190: ok 4353 # ring membership passed
190: ok 4354 # correct SSSR count
190: ok 4355 # ring membership passed
190: ok 4356 # correct SSSR count
190: ok 4357 # ring membership passed
190: ok 4358 # correct ring bond data
190: ok 4359 # correct ring bond data
190: ok 4360 # correct ring bond data
190: ok 4361 # correct ring bond data
190: ok 4362 # correct ring bond data
190: ok 4363 # correct ring bond data
190: ok 4364 # correct ring bond data
190: ok 4365 # correct ring bond data
190: ok 4366 # correct ring bond data
190: ok 4367 # correct ring bond data
190: ok 4368 # correct ring bond data
190: ok 4369 # correct ring bond data
190: ok 4370 # correct ring bond data
190: ok 4371 # correct ring bond data
190: ok 4372 # correct ring bond data
190: ok 4373 # correct ring bond data
190: ok 4374 # correct ring bond data
190: ok 4375 # correct ring bond data
190: ok 4376 # correct ring bond data
190: ok 4377 # correct ring bond data
190: ok 4378 # SSSR size matches reference
190: ok 4379 # correct SSSR count
190: ok 4380 # ring membership passed
190: ok 4381 # correct SSSR count
190: ok 4382 # ring membership passed
190: ok 4383 # correct SSSR count
190: ok 4384 # ring membership passed
190: ok 4385 # correct SSSR count
190: ok 4386 # ring membership passed
190: ok 4387 # correct SSSR count
190: ok 4388 # ring membership passed
190: ok 4389 # correct SSSR count
190: ok 4390 # ring membership passed
190: ok 4391 # correct SSSR count
190: ok 4392 # ring membership passed
190: ok 4393 # correct SSSR count
190: ok 4394 # ring membership passed
190: ok 4395 # correct SSSR count
190: ok 4396 # ring membership passed
190: ok 4397 # correct SSSR count
190: ok 4398 # ring membership passed
190: ok 4399 # correct SSSR count
190: ok 4400 # ring membership passed
190: ok 4401 # correct SSSR count
190: ok 4402 # ring membership passed
190: ok 4403 # correct SSSR count
190: ok 4404 # ring membership passed
190: ok 4405 # correct SSSR count
190: ok 4406 # ring membership passed
190: ok 4407 # correct SSSR count
190: ok 4408 # ring membership passed
190: ok 4409 # correct SSSR count
190: ok 4410 # ring membership passed
190: ok 4411 # correct SSSR count
190: ok 4412 # ring membership passed
190: ok 4413 # correct SSSR count
190: ok 4414 # ring membership passed
190: ok 4415 # correct SSSR count
190: ok 4416 # ring membership passed
190: ok 4417 # correct ring bond data
190: ok 4418 # correct ring bond data
190: ok 4419 # correct ring bond data
190: ok 4420 # correct ring bond data
190: ok 4421 # correct ring bond data
190: ok 4422 # correct ring bond data
190: ok 4423 # correct ring bond data
190: ok 4424 # correct ring bond data
190: ok 4425 # correct ring bond data
190: ok 4426 # correct ring bond data
190: ok 4427 # correct ring bond data
190: ok 4428 # correct ring bond data
190: ok 4429 # correct ring bond data
190: ok 4430 # correct ring bond data
190: ok 4431 # correct ring bond data
190: ok 4432 # correct ring bond data
190: ok 4433 # correct ring bond data
190: ok 4434 # correct ring bond data
190: ok 4435 # correct ring bond data
190: ok 4436 # correct ring bond data
190: ok 4437 # SSSR size matches reference
190: ok 4438 # correct SSSR count
190: ok 4439 # ring membership passed
190: ok 4440 # correct SSSR count
190: ok 4441 # ring membership passed
190: ok 4442 # correct SSSR count
190: ok 4443 # ring membership passed
190: ok 4444 # correct SSSR count
190: ok 4445 # ring membership passed
190: ok 4446 # correct SSSR count
190: ok 4447 # ring membership passed
190: ok 4448 # correct SSSR count
190: ok 4449 # ring membership passed
190: ok 4450 # correct SSSR count
190: ok 4451 # ring membership passed
190: ok 4452 # correct SSSR count
190: ok 4453 # ring membership passed
190: ok 4454 # correct SSSR count
190: ok 4455 # ring membership passed
190: ok 4456 # correct SSSR count
190: ok 4457 # ring membership passed
190: ok 4458 # correct SSSR count
190: ok 4459 # ring membership passed
190: ok 4460 # correct SSSR count
190: ok 4461 # ring membership passed
190: ok 4462 # correct SSSR count
190: ok 4463 # ring membership passed
190: ok 4464 # correct SSSR count
190: ok 4465 # ring membership passed
190: ok 4466 # correct SSSR count
190: ok 4467 # ring membership passed
190: ok 4468 # correct SSSR count
190: ok 4469 # ring membership passed
190: ok 4470 # correct SSSR count
190: ok 4471 # ring membership passed
190: ok 4472 # correct SSSR count
190: ok 4473 # ring membership passed
190: ok 4474 # correct SSSR count
190: ok 4475 # ring membership passed
190: ok 4476 # correct ring bond data
190: ok 4477 # correct ring bond data
190: ok 4478 # correct ring bond data
190: ok 4479 # correct ring bond data
190: ok 4480 # correct ring bond data
190: ok 4481 # correct ring bond data
190: ok 4482 # correct ring bond data
190: ok 4483 # correct ring bond data
190: ok 4484 # correct ring bond data
190: ok 4485 # correct ring bond data
190: ok 4486 # correct ring bond data
190: ok 4487 # correct ring bond data
190: ok 4488 # correct ring bond data
190: ok 4489 # correct ring bond data
190: ok 4490 # correct ring bond data
190: ok 4491 # correct ring bond data
190: ok 4492 # correct ring bond data
190: ok 4493 # correct ring bond data
190: ok 4494 # correct ring bond data
190: ok 4495 # correct ring bond data
190: ok 4496 # correct ring bond data
190: ok 4497 # SSSR size matches reference
190: ok 4498 # correct SSSR count
190: ok 4499 # ring membership passed
190: ok 4500 # correct SSSR count
190: ok 4501 # ring membership passed
190: ok 4502 # correct SSSR count
190: ok 4503 # ring membership passed
190: ok 4504 # correct SSSR count
190: ok 4505 # ring membership passed
190: ok 4506 # correct SSSR count
190: ok 4507 # ring membership passed
190: ok 4508 # correct SSSR count
190: ok 4509 # ring membership passed
190: ok 4510 # correct SSSR count
190: ok 4511 # ring membership passed
190: ok 4512 # correct SSSR count
190: ok 4513 # ring membership passed
190: ok 4514 # correct SSSR count
190: ok 4515 # ring membership passed
190: ok 4516 # correct SSSR count
190: ok 4517 # ring membership passed
190: ok 4518 # correct SSSR count
190: ok 4519 # ring membership passed
190: ok 4520 # correct SSSR count
190: ok 4521 # ring membership passed
190: ok 4522 # correct SSSR count
190: ok 4523 # ring membership passed
190: ok 4524 # correct SSSR count
190: ok 4525 # ring membership passed
190: ok 4526 # correct SSSR count
190: ok 4527 # ring membership passed
190: ok 4528 # correct SSSR count
190: ok 4529 # ring membership passed
190: ok 4530 # correct SSSR count
190: ok 4531 # ring membership passed
190: ok 4532 # correct SSSR count
190: ok 4533 # ring membership passed
190: ok 4534 # correct SSSR count
190: ok 4535 # ring membership passed
190: ok 4536 # correct SSSR count
190: ok 4537 # ring membership passed
190: ok 4538 # correct ring bond data
190: ok 4539 # correct ring bond data
190: ok 4540 # correct ring bond data
190: ok 4541 # correct ring bond data
190: ok 4542 # correct ring bond data
190: ok 4543 # correct ring bond data
190: ok 4544 # correct ring bond data
190: ok 4545 # correct ring bond data
190: ok 4546 # correct ring bond data
190: ok 4547 # correct ring bond data
190: ok 4548 # correct ring bond data
190: ok 4549 # correct ring bond data
190: ok 4550 # correct ring bond data
190: ok 4551 # correct ring bond data
190: ok 4552 # correct ring bond data
190: ok 4553 # correct ring bond data
190: ok 4554 # correct ring bond data
190: ok 4555 # correct ring bond data
190: ok 4556 # correct ring bond data
190: ok 4557 # correct ring bond data
190: ok 4558 # correct ring bond data
190: ok 4559 # SSSR size matches reference
190: ok 4560 # correct SSSR count
190: ok 4561 # ring membership passed
190: ok 4562 # correct SSSR count
190: ok 4563 # ring membership passed
190: ok 4564 # correct SSSR count
190: ok 4565 # ring membership passed
190: ok 4566 # correct SSSR count
190: ok 4567 # ring membership passed
190: ok 4568 # correct SSSR count
190: ok 4569 # ring membership passed
190: ok 4570 # correct SSSR count
190: ok 4571 # ring membership passed
190: ok 4572 # correct SSSR count
190: ok 4573 # ring membership passed
190: ok 4574 # correct SSSR count
190: ok 4575 # ring membership passed
190: ok 4576 # correct SSSR count
190: ok 4577 # ring membership passed
190: ok 4578 # correct SSSR count
190: ok 4579 # ring membership passed
190: ok 4580 # correct SSSR count
190: ok 4581 # ring membership passed
190: ok 4582 # correct SSSR count
190: ok 4583 # ring membership passed
190: ok 4584 # correct SSSR count
190: ok 4585 # ring membership passed
190: ok 4586 # correct SSSR count
190: ok 4587 # ring membership passed
190: ok 4588 # correct SSSR count
190: ok 4589 # ring membership passed
190: ok 4590 # correct SSSR count
190: ok 4591 # ring membership passed
190: ok 4592 # correct SSSR count
190: ok 4593 # ring membership passed
190: ok 4594 # correct SSSR count
190: ok 4595 # ring membership passed
190: ok 4596 # correct SSSR count
190: ok 4597 # ring membership passed
190: ok 4598 # correct SSSR count
190: ok 4599 # ring membership passed
190: ok 4600 # correct ring bond data
190: ok 4601 # correct ring bond data
190: ok 4602 # correct ring bond data
190: ok 4603 # correct ring bond data
190: ok 4604 # correct ring bond data
190: ok 4605 # correct ring bond data
190: ok 4606 # correct ring bond data
190: ok 4607 # correct ring bond data
190: ok 4608 # correct ring bond data
190: ok 4609 # correct ring bond data
190: ok 4610 # correct ring bond data
190: ok 4611 # correct ring bond data
190: ok 4612 # correct ring bond data
190: ok 4613 # correct ring bond data
190: ok 4614 # correct ring bond data
190: ok 4615 # correct ring bond data
190: ok 4616 # correct ring bond data
190: ok 4617 # correct ring bond data
190: ok 4618 # correct ring bond data
190: ok 4619 # correct ring bond data
190: ok 4620 # correct ring bond data
190: ok 4621 # SSSR size matches reference
190: ok 4622 # correct SSSR count
190: ok 4623 # ring membership passed
190: ok 4624 # correct SSSR count
190: ok 4625 # ring membership passed
190: ok 4626 # correct SSSR count
190: ok 4627 # ring membership passed
190: ok 4628 # correct SSSR count
190: ok 4629 # ring membership passed
190: ok 4630 # correct SSSR count
190: ok 4631 # ring membership passed
190: ok 4632 # correct SSSR count
190: ok 4633 # ring membership passed
190: ok 4634 # correct SSSR count
190: ok 4635 # ring membership passed
190: ok 4636 # correct SSSR count
190: ok 4637 # ring membership passed
190: ok 4638 # correct SSSR count
190: ok 4639 # ring membership passed
190: ok 4640 # correct SSSR count
190: ok 4641 # ring membership passed
190: ok 4642 # correct SSSR count
190: ok 4643 # ring membership passed
190: ok 4644 # correct SSSR count
190: ok 4645 # ring membership passed
190: ok 4646 # correct SSSR count
190: ok 4647 # ring membership passed
190: ok 4648 # correct SSSR count
190: ok 4649 # ring membership passed
190: ok 4650 # correct SSSR count
190: ok 4651 # ring membership passed
190: ok 4652 # correct SSSR count
190: ok 4653 # ring membership passed
190: ok 4654 # correct SSSR count
190: ok 4655 # ring membership passed
190: ok 4656 # correct SSSR count
190: ok 4657 # ring membership passed
190: ok 4658 # correct SSSR count
190: ok 4659 # ring membership passed
190: ok 4660 # correct SSSR count
190: ok 4661 # ring membership passed
190: ok 4662 # correct ring bond data
190: ok 4663 # correct ring bond data
190: ok 4664 # correct ring bond data
190: ok 4665 # correct ring bond data
190: ok 4666 # correct ring bond data
190: ok 4667 # correct ring bond data
190: ok 4668 # correct ring bond data
190: ok 4669 # correct ring bond data
190: ok 4670 # correct ring bond data
190: ok 4671 # correct ring bond data
190: ok 4672 # correct ring bond data
190: ok 4673 # correct ring bond data
190: ok 4674 # correct ring bond data
190: ok 4675 # correct ring bond data
190: ok 4676 # correct ring bond data
190: ok 4677 # SSSR size matches reference
190: ok 4678 # correct SSSR count
190: ok 4679 # ring membership passed
190: ok 4680 # correct SSSR count
190: ok 4681 # ring membership passed
190: ok 4682 # correct SSSR count
190: ok 4683 # ring membership passed
190: ok 4684 # correct SSSR count
190: ok 4685 # ring membership passed
190: ok 4686 # correct SSSR count
190: ok 4687 # ring membership passed
190: ok 4688 # correct SSSR count
190: ok 4689 # ring membership passed
190: ok 4690 # correct SSSR count
190: ok 4691 # ring membership passed
190: ok 4692 # correct SSSR count
190: ok 4693 # ring membership passed
190: ok 4694 # correct SSSR count
190: ok 4695 # ring membership passed
190: ok 4696 # correct SSSR count
190: ok 4697 # ring membership passed
190: ok 4698 # correct SSSR count
190: ok 4699 # ring membership passed
190: ok 4700 # correct SSSR count
190: ok 4701 # ring membership passed
190: ok 4702 # correct SSSR count
190: ok 4703 # ring membership passed
190: ok 4704 # correct SSSR count
190: ok 4705 # ring membership passed
190: ok 4706 # correct ring bond data
190: ok 4707 # correct ring bond data
190: ok 4708 # correct ring bond data
190: ok 4709 # correct ring bond data
190: ok 4710 # correct ring bond data
190: ok 4711 # correct ring bond data
190: ok 4712 # correct ring bond data
190: ok 4713 # correct ring bond data
190: ok 4714 # correct ring bond data
190: ok 4715 # correct ring bond data
190: ok 4716 # correct ring bond data
190: ok 4717 # correct ring bond data
190: ok 4718 # correct ring bond data
190: ok 4719 # correct ring bond data
190: ok 4720 # correct ring bond data
190: ok 4721 # correct ring bond data
190: ok 4722 # correct ring bond data
190: ok 4723 # correct ring bond data
190: ok 4724 # SSSR size matches reference
190: ok 4725 # correct SSSR count
190: ok 4726 # ring membership passed
190: ok 4727 # correct SSSR count
190: ok 4728 # ring membership passed
190: ok 4729 # correct SSSR count
190: ok 4730 # ring membership passed
190: ok 4731 # correct SSSR count
190: ok 4732 # ring membership passed
190: ok 4733 # correct SSSR count
190: ok 4734 # ring membership passed
190: ok 4735 # correct SSSR count
190: ok 4736 # ring membership passed
190: ok 4737 # correct SSSR count
190: ok 4738 # ring membership passed
190: ok 4739 # correct SSSR count
190: ok 4740 # ring membership passed
190: ok 4741 # correct SSSR count
190: ok 4742 # ring membership passed
190: ok 4743 # correct SSSR count
190: ok 4744 # ring membership passed
190: ok 4745 # correct SSSR count
190: ok 4746 # ring membership passed
190: ok 4747 # correct SSSR count
190: ok 4748 # ring membership passed
190: ok 4749 # correct SSSR count
190: ok 4750 # ring membership passed
190: ok 4751 # correct SSSR count
190: ok 4752 # ring membership passed
190: ok 4753 # correct SSSR count
190: ok 4754 # ring membership passed
190: ok 4755 # correct SSSR count
190: ok 4756 # ring membership passed
190: ok 4757 # correct SSSR count
190: ok 4758 # ring membership passed
190: ok 4759 # correct ring bond data
190: ok 4760 # correct ring bond data
190: ok 4761 # correct ring bond data
190: ok 4762 # correct ring bond data
190: ok 4763 # correct ring bond data
190: ok 4764 # correct ring bond data
190: ok 4765 # correct ring bond data
190: ok 4766 # correct ring bond data
190: ok 4767 # correct ring bond data
190: ok 4768 # correct ring bond data
190: ok 4769 # correct ring bond data
190: ok 4770 # correct ring bond data
190: ok 4771 # correct ring bond data
190: ok 4772 # correct ring bond data
190: ok 4773 # correct ring bond data
190: ok 4774 # correct ring bond data
190: ok 4775 # correct ring bond data
190: ok 4776 # correct ring bond data
190: ok 4777 # SSSR size matches reference
190: ok 4778 # correct SSSR count
190: ok 4779 # ring membership passed
190: ok 4780 # correct SSSR count
190: ok 4781 # ring membership passed
190: ok 4782 # correct SSSR count
190: ok 4783 # ring membership passed
190: ok 4784 # correct SSSR count
190: ok 4785 # ring membership passed
190: ok 4786 # correct SSSR count
190: ok 4787 # ring membership passed
190: ok 4788 # correct SSSR count
190: ok 4789 # ring membership passed
190: ok 4790 # correct SSSR count
190: ok 4791 # ring membership passed
190: ok 4792 # correct SSSR count
190: ok 4793 # ring membership passed
190: ok 4794 # correct SSSR count
190: ok 4795 # ring membership passed
190: ok 4796 # correct SSSR count
190: ok 4797 # ring membership passed
190: ok 4798 # correct SSSR count
190: ok 4799 # ring membership passed
190: ok 4800 # correct SSSR count
190: ok 4801 # ring membership passed
190: ok 4802 # correct SSSR count
190: ok 4803 # ring membership passed
190: ok 4804 # correct SSSR count
190: ok 4805 # ring membership passed
190: ok 4806 # correct SSSR count
190: ok 4807 # ring membership passed
190: ok 4808 # correct SSSR count
190: ok 4809 # ring membership passed
190: ok 4810 # correct SSSR count
190: ok 4811 # ring membership passed
190: ok 4812 # correct ring bond data
190: ok 4813 # correct ring bond data
190: ok 4814 # correct ring bond data
190: ok 4815 # correct ring bond data
190: ok 4816 # correct ring bond data
190: ok 4817 # correct ring bond data
190: ok 4818 # correct ring bond data
190: ok 4819 # correct ring bond data
190: ok 4820 # correct ring bond data
190: ok 4821 # correct ring bond data
190: ok 4822 # correct ring bond data
190: ok 4823 # correct ring bond data
190: ok 4824 # correct ring bond data
190: ok 4825 # correct ring bond data
190: ok 4826 # correct ring bond data
190: ok 4827 # correct ring bond data
190: ok 4828 # correct ring bond data
190: ok 4829 # correct ring bond data
190: ok 4830 # correct ring bond data
190: ok 4831 # correct ring bond data
190: ok 4832 # SSSR size matches reference
190: ok 4833 # correct SSSR count
190: ok 4834 # ring membership passed
190: ok 4835 # correct SSSR count
190: ok 4836 # ring membership passed
190: ok 4837 # correct SSSR count
190: ok 4838 # ring membership passed
190: ok 4839 # correct SSSR count
190: ok 4840 # ring membership passed
190: ok 4841 # correct SSSR count
190: ok 4842 # ring membership passed
190: ok 4843 # correct SSSR count
190: ok 4844 # ring membership passed
190: ok 4845 # correct SSSR count
190: ok 4846 # ring membership passed
190: ok 4847 # correct SSSR count
190: ok 4848 # ring membership passed
190: ok 4849 # correct SSSR count
190: ok 4850 # ring membership passed
190: ok 4851 # correct SSSR count
190: ok 4852 # ring membership passed
190: ok 4853 # correct SSSR count
190: ok 4854 # ring membership passed
190: ok 4855 # correct SSSR count
190: ok 4856 # ring membership passed
190: ok 4857 # correct SSSR count
190: ok 4858 # ring membership passed
190: ok 4859 # correct SSSR count
190: ok 4860 # ring membership passed
190: ok 4861 # correct SSSR count
190: ok 4862 # ring membership passed
190: ok 4863 # correct SSSR count
190: ok 4864 # ring membership passed
190: ok 4865 # correct SSSR count
190: ok 4866 # ring membership passed
190: ok 4867 # correct SSSR count
190: ok 4868 # ring membership passed
190: ok 4869 # correct SSSR count
190: ok 4870 # ring membership passed
190: ok 4871 # correct ring bond data
190: ok 4872 # correct ring bond data
190: ok 4873 # correct ring bond data
190: ok 4874 # correct ring bond data
190: ok 4875 # correct ring bond data
190: ok 4876 # correct ring bond data
190: ok 4877 # correct ring bond data
190: ok 4878 # correct ring bond data
190: ok 4879 # correct ring bond data
190: ok 4880 # correct ring bond data
190: ok 4881 # correct ring bond data
190: ok 4882 # correct ring bond data
190: ok 4883 # correct ring bond data
190: ok 4884 # correct ring bond data
190: ok 4885 # correct ring bond data
190: ok 4886 # correct ring bond data
190: ok 4887 # correct ring bond data
190: ok 4888 # correct ring bond data
190: ok 4889 # correct ring bond data
190: ok 4890 # correct ring bond data
190: ok 4891 # correct ring bond data
190: ok 4892 # SSSR size matches reference
190: ok 4893 # correct SSSR count
190: ok 4894 # ring membership passed
190: ok 4895 # correct SSSR count
190: ok 4896 # ring membership passed
190: ok 4897 # correct SSSR count
190: ok 4898 # ring membership passed
190: ok 4899 # correct SSSR count
190: ok 4900 # ring membership passed
190: ok 4901 # correct SSSR count
190: ok 4902 # ring membership passed
190: ok 4903 # correct SSSR count
190: ok 4904 # ring membership passed
190: ok 4905 # correct SSSR count
190: ok 4906 # ring membership passed
190: ok 4907 # correct SSSR count
190: ok 4908 # ring membership passed
190: ok 4909 # correct SSSR count
190: ok 4910 # ring membership passed
190: ok 4911 # correct SSSR count
190: ok 4912 # ring membership passed
190: ok 4913 # correct SSSR count
190: ok 4914 # ring membership passed
190: ok 4915 # correct SSSR count
190: ok 4916 # ring membership passed
190: ok 4917 # correct SSSR count
190: ok 4918 # ring membership passed
190: ok 4919 # correct SSSR count
190: ok 4920 # ring membership passed
190: ok 4921 # correct SSSR count
190: ok 4922 # ring membership passed
190: ok 4923 # correct SSSR count
190: ok 4924 # ring membership passed
190: ok 4925 # correct SSSR count
190: ok 4926 # ring membership passed
190: ok 4927 # correct SSSR count
190: ok 4928 # ring membership passed
190: ok 4929 # correct SSSR count
190: ok 4930 # ring membership passed
190: ok 4931 # correct SSSR count
190: ok 4932 # ring membership passed
190: ok 4933 # correct ring bond data
190: ok 4934 # correct ring bond data
190: ok 4935 # correct ring bond data
190: ok 4936 # correct ring bond data
190: ok 4937 # correct ring bond data
190: ok 4938 # correct ring bond data
190: ok 4939 # correct ring bond data
190: ok 4940 # correct ring bond data
190: ok 4941 # correct ring bond data
190: ok 4942 # correct ring bond data
190: ok 4943 # correct ring bond data
190: ok 4944 # correct ring bond data
190: ok 4945 # correct ring bond data
190: ok 4946 # correct ring bond data
190: ok 4947 # correct ring bond data
190: ok 4948 # correct ring bond data
190: ok 4949 # correct ring bond data
190: ok 4950 # correct ring bond data
190: ok 4951 # correct ring bond data
190: ok 4952 # SSSR size matches reference
190: ok 4953 # correct SSSR count
190: ok 4954 # ring membership passed
190: ok 4955 # correct SSSR count
190: ok 4956 # ring membership passed
190: ok 4957 # correct SSSR count
190: ok 4958 # ring membership passed
190: ok 4959 # correct SSSR count
190: ok 4960 # ring membership passed
190: ok 4961 # correct SSSR count
190: ok 4962 # ring membership passed
190: ok 4963 # correct SSSR count
190: ok 4964 # ring membership passed
190: ok 4965 # correct SSSR count
190: ok 4966 # ring membership passed
190: ok 4967 # correct SSSR count
190: ok 4968 # ring membership passed
190: ok 4969 # correct SSSR count
190: ok 4970 # ring membership passed
190: ok 4971 # correct SSSR count
190: ok 4972 # ring membership passed
190: ok 4973 # correct SSSR count
190: ok 4974 # ring membership passed
190: ok 4975 # correct SSSR count
190: ok 4976 # ring membership passed
190: ok 4977 # correct SSSR count
190: ok 4978 # ring membership passed
190: ok 4979 # correct SSSR count
190: ok 4980 # ring membership passed
190: ok 4981 # correct SSSR count
190: ok 4982 # ring membership passed
190: ok 4983 # correct SSSR count
190: ok 4984 # ring membership passed
190: ok 4985 # correct SSSR count
190: ok 4986 # ring membership passed
190: ok 4987 # correct SSSR count
190: ok 4988 # ring membership passed
190: ok 4989 # correct ring bond data
190: ok 4990 # correct ring bond data
190: ok 4991 # correct ring bond data
190: ok 4992 # correct ring bond data
190: ok 4993 # correct ring bond data
190: ok 4994 # correct ring bond data
190: ok 4995 # correct ring bond data
190: ok 4996 # correct ring bond data
190: ok 4997 # correct ring bond data
190: ok 4998 # correct ring bond data
190: ok 4999 # correct ring bond data
190: ok 5000 # correct ring bond data
190: ok 5001 # correct ring bond data
190: ok 5002 # correct ring bond data
190: ok 5003 # correct ring bond data
190: ok 5004 # correct ring bond data
190: ok 5005 # correct ring bond data
190: ok 5006 # correct ring bond data
190: ok 5007 # correct ring bond data
190: ok 5008 # SSSR size matches reference
190: ok 5009 # correct SSSR count
190: ok 5010 # ring membership passed
190: ok 5011 # correct SSSR count
190: ok 5012 # ring membership passed
190: ok 5013 # correct SSSR count
190: ok 5014 # ring membership passed
190: ok 5015 # correct SSSR count
190: ok 5016 # ring membership passed
190: ok 5017 # correct SSSR count
190: ok 5018 # ring membership passed
190: ok 5019 # correct SSSR count
190: ok 5020 # ring membership passed
190: ok 5021 # correct SSSR count
190: ok 5022 # ring membership passed
190: ok 5023 # correct SSSR count
190: ok 5024 # ring membership passed
190: ok 5025 # correct SSSR count
190: ok 5026 # ring membership passed
190: ok 5027 # correct SSSR count
190: ok 5028 # ring membership passed
190: ok 5029 # correct SSSR count
190: ok 5030 # ring membership passed
190: ok 5031 # correct SSSR count
190: ok 5032 # ring membership passed
190: ok 5033 # correct SSSR count
190: ok 5034 # ring membership passed
190: ok 5035 # correct SSSR count
190: ok 5036 # ring membership passed
190: ok 5037 # correct SSSR count
190: ok 5038 # ring membership passed
190: ok 5039 # correct SSSR count
190: ok 5040 # ring membership passed
190: ok 5041 # correct SSSR count
190: ok 5042 # ring membership passed
190: ok 5043 # correct SSSR count
190: ok 5044 # ring membership passed
190: ok 5045 # correct ring bond data
190: ok 5046 # correct ring bond data
190: ok 5047 # correct ring bond data
190: ok 5048 # correct ring bond data
190: ok 5049 # correct ring bond data
190: ok 5050 # correct ring bond data
190: ok 5051 # correct ring bond data
190: ok 5052 # correct ring bond data
190: ok 5053 # correct ring bond data
190: ok 5054 # correct ring bond data
190: ok 5055 # correct ring bond data
190: ok 5056 # correct ring bond data
190: ok 5057 # correct ring bond data
190: ok 5058 # correct ring bond data
190: ok 5059 # correct ring bond data
190: ok 5060 # correct ring bond data
190: ok 5061 # correct ring bond data
190: ok 5062 # correct ring bond data
190: ok 5063 # correct ring bond data
190: ok 5064 # correct ring bond data
190: ok 5065 # SSSR size matches reference
190: ok 5066 # correct SSSR count
190: ok 5067 # ring membership passed
190: ok 5068 # correct SSSR count
190: ok 5069 # ring membership passed
190: ok 5070 # correct SSSR count
190: ok 5071 # ring membership passed
190: ok 5072 # correct SSSR count
190: ok 5073 # ring membership passed
190: ok 5074 # correct SSSR count
190: ok 5075 # ring membership passed
190: ok 5076 # correct SSSR count
190: ok 5077 # ring membership passed
190: ok 5078 # correct SSSR count
190: ok 5079 # ring membership passed
190: ok 5080 # correct SSSR count
190: ok 5081 # ring membership passed
190: ok 5082 # correct SSSR count
190: ok 5083 # ring membership passed
190: ok 5084 # correct SSSR count
190: ok 5085 # ring membership passed
190: ok 5086 # correct SSSR count
190: ok 5087 # ring membership passed
190: ok 5088 # correct SSSR count
190: ok 5089 # ring membership passed
190: ok 5090 # correct SSSR count
190: ok 5091 # ring membership passed
190: ok 5092 # correct SSSR count
190: ok 5093 # ring membership passed
190: ok 5094 # correct SSSR count
190: ok 5095 # ring membership passed
190: ok 5096 # correct SSSR count
190: ok 5097 # ring membership passed
190: ok 5098 # correct SSSR count
190: ok 5099 # ring membership passed
190: ok 5100 # correct SSSR count
190: ok 5101 # ring membership passed
190: ok 5102 # correct SSSR count
190: ok 5103 # ring membership passed
190: ok 5104 # correct ring bond data
190: ok 5105 # correct ring bond data
190: ok 5106 # correct ring bond data
190: ok 5107 # correct ring bond data
190: ok 5108 # correct ring bond data
190: ok 5109 # correct ring bond data
190: ok 5110 # correct ring bond data
190: ok 5111 # correct ring bond data
190: ok 5112 # correct ring bond data
190: ok 5113 # correct ring bond data
190: ok 5114 # correct ring bond data
190: ok 5115 # correct ring bond data
190: ok 5116 # correct ring bond data
190: ok 5117 # correct ring bond data
190: ok 5118 # correct ring bond data
190: ok 5119 # correct ring bond data
190: ok 5120 # correct ring bond data
190: ok 5121 # correct ring bond data
190: ok 5122 # correct ring bond data
190: ok 5123 # SSSR size matches reference
190: ok 5124 # correct SSSR count
190: ok 5125 # ring membership passed
190: ok 5126 # correct SSSR count
190: ok 5127 # ring membership passed
190: ok 5128 # correct SSSR count
190: ok 5129 # ring membership passed
190: ok 5130 # correct SSSR count
190: ok 5131 # ring membership passed
190: ok 5132 # correct SSSR count
190: ok 5133 # ring membership passed
190: ok 5134 # correct SSSR count
190: ok 5135 # ring membership passed
190: ok 5136 # correct SSSR count
190: ok 5137 # ring membership passed
190: ok 5138 # correct SSSR count
190: ok 5139 # ring membership passed
190: ok 5140 # correct SSSR count
190: ok 5141 # ring membership passed
190: ok 5142 # correct SSSR count
190: ok 5143 # ring membership passed
190: ok 5144 # correct SSSR count
190: ok 5145 # ring membership passed
190: ok 5146 # correct SSSR count
190: ok 5147 # ring membership passed
190: ok 5148 # correct SSSR count
190: ok 5149 # ring membership passed
190: ok 5150 # correct SSSR count
190: ok 5151 # ring membership passed
190: ok 5152 # correct SSSR count
190: ok 5153 # ring membership passed
190: ok 5154 # correct SSSR count
190: ok 5155 # ring membership passed
190: ok 5156 # correct SSSR count
190: ok 5157 # ring membership passed
190: ok 5158 # correct SSSR count
190: ok 5159 # ring membership passed
190: ok 5160 # correct ring bond data
190: ok 5161 # correct ring bond data
190: ok 5162 # correct ring bond data
190: ok 5163 # correct ring bond data
190: ok 5164 # correct ring bond data
190: ok 5165 # correct ring bond data
190: ok 5166 # correct ring bond data
190: ok 5167 # correct ring bond data
190: ok 5168 # correct ring bond data
190: ok 5169 # correct ring bond data
190: ok 5170 # correct ring bond data
190: ok 5171 # correct ring bond data
190: ok 5172 # correct ring bond data
190: ok 5173 # correct ring bond data
190: ok 5174 # correct ring bond data
190: ok 5175 # correct ring bond data
190: ok 5176 # correct ring bond data
190: ok 5177 # correct ring bond data
190: ok 5178 # correct ring bond data
190: ok 5179 # correct ring bond data
190: ok 5180 # correct ring bond data
190: ok 5181 # SSSR size matches reference
190: ok 5182 # correct SSSR count
190: ok 5183 # ring membership passed
190: ok 5184 # correct SSSR count
190: ok 5185 # ring membership passed
190: ok 5186 # correct SSSR count
190: ok 5187 # ring membership passed
190: ok 5188 # correct SSSR count
190: ok 5189 # ring membership passed
190: ok 5190 # correct SSSR count
190: ok 5191 # ring membership passed
190: ok 5192 # correct SSSR count
190: ok 5193 # ring membership passed
190: ok 5194 # correct SSSR count
190: ok 5195 # ring membership passed
190: ok 5196 # correct SSSR count
190: ok 5197 # ring membership passed
190: ok 5198 # correct SSSR count
190: ok 5199 # ring membership passed
190: ok 5200 # correct SSSR count
190: ok 5201 # ring membership passed
190: ok 5202 # correct SSSR count
190: ok 5203 # ring membership passed
190: ok 5204 # correct SSSR count
190: ok 5205 # ring membership passed
190: ok 5206 # correct SSSR count
190: ok 5207 # ring membership passed
190: ok 5208 # correct SSSR count
190: ok 5209 # ring membership passed
190: ok 5210 # correct SSSR count
190: ok 5211 # ring membership passed
190: ok 5212 # correct SSSR count
190: ok 5213 # ring membership passed
190: ok 5214 # correct SSSR count
190: ok 5215 # ring membership passed
190: ok 5216 # correct SSSR count
190: ok 5217 # ring membership passed
190: ok 5218 # correct SSSR count
190: ok 5219 # ring membership passed
190: ok 5220 # correct SSSR count
190: ok 5221 # ring membership passed
190: ok 5222 # correct ring bond data
190: ok 5223 # correct ring bond data
190: ok 5224 # correct ring bond data
190: ok 5225 # correct ring bond data
190: ok 5226 # correct ring bond data
190: ok 5227 # correct ring bond data
190: ok 5228 # correct ring bond data
190: ok 5229 # correct ring bond data
190: ok 5230 # correct ring bond data
190: ok 5231 # correct ring bond data
190: ok 5232 # correct ring bond data
190: ok 5233 # correct ring bond data
190: ok 5234 # SSSR size matches reference
190: ok 5235 # correct SSSR count
190: ok 5236 # ring membership passed
190: ok 5237 # correct SSSR count
190: ok 5238 # ring membership passed
190: ok 5239 # correct SSSR count
190: ok 5240 # ring membership passed
190: ok 5241 # correct SSSR count
190: ok 5242 # ring membership passed
190: ok 5243 # correct SSSR count
190: ok 5244 # ring membership passed
190: ok 5245 # correct SSSR count
190: ok 5246 # ring membership passed
190: ok 5247 # correct SSSR count
190: ok 5248 # ring membership passed
190: ok 5249 # correct SSSR count
190: ok 5250 # ring membership passed
190: ok 5251 # correct SSSR count
190: ok 5252 # ring membership passed
190: ok 5253 # correct SSSR count
190: ok 5254 # ring membership passed
190: ok 5255 # correct SSSR count
190: ok 5256 # ring membership passed
190: ok 5257 # correct SSSR count
190: ok 5258 # ring membership passed
190: ok 5259 # correct ring bond data
190: ok 5260 # correct ring bond data
190: ok 5261 # correct ring bond data
190: ok 5262 # correct ring bond data
190: ok 5263 # correct ring bond data
190: ok 5264 # correct ring bond data
190: ok 5265 # correct ring bond data
190: ok 5266 # correct ring bond data
190: ok 5267 # correct ring bond data
190: ok 5268 # correct ring bond data
190: ok 5269 # correct ring bond data
190: ok 5270 # correct ring bond data
190: ok 5271 # SSSR size matches reference
190: ok 5272 # correct SSSR count
190: ok 5273 # ring membership passed
190: ok 5274 # correct SSSR count
190: ok 5275 # ring membership passed
190: ok 5276 # correct SSSR count
190: ok 5277 # ring membership passed
190: ok 5278 # correct SSSR count
190: ok 5279 # ring membership passed
190: ok 5280 # correct SSSR count
190: ok 5281 # ring membership passed
190: ok 5282 # correct SSSR count
190: ok 5283 # ring membership passed
190: ok 5284 # correct SSSR count
190: ok 5285 # ring membership passed
190: ok 5286 # correct SSSR count
190: ok 5287 # ring membership passed
190: ok 5288 # correct SSSR count
190: ok 5289 # ring membership passed
190: ok 5290 # correct SSSR count
190: ok 5291 # ring membership passed
190: ok 5292 # correct SSSR count
190: ok 5293 # ring membership passed
190: ok 5294 # correct SSSR count
190: ok 5295 # ring membership passed
190: ok 5296 # correct ring bond data
190: ok 5297 # correct ring bond data
190: ok 5298 # correct ring bond data
190: ok 5299 # correct ring bond data
190: ok 5300 # correct ring bond data
190: ok 5301 # correct ring bond data
190: ok 5302 # correct ring bond data
190: ok 5303 # correct ring bond data
190: ok 5304 # correct ring bond data
190: ok 5305 # correct ring bond data
190: ok 5306 # correct ring bond data
190: ok 5307 # correct ring bond data
190: ok 5308 # correct ring bond data
190: ok 5309 # correct ring bond data
190: ok 5310 # correct ring bond data
190: ok 5311 # correct ring bond data
190: ok 5312 # correct ring bond data
190: ok 5313 # correct ring bond data
190: ok 5314 # correct ring bond data
190: ok 5315 # correct ring bond data
190: ok 5316 # correct ring bond data
190: ok 5317 # SSSR size matches reference
190: ok 5318 # correct SSSR count
190: ok 5319 # ring membership passed
190: ok 5320 # correct SSSR count
190: ok 5321 # ring membership passed
190: ok 5322 # correct SSSR count
190: ok 5323 # ring membership passed
190: ok 5324 # correct SSSR count
190: ok 5325 # ring membership passed
190: ok 5326 # correct SSSR count
190: ok 5327 # ring membership passed
190: ok 5328 # correct SSSR count
190: ok 5329 # ring membership passed
190: ok 5330 # correct SSSR count
190: ok 5331 # ring membership passed
190: ok 5332 # correct SSSR count
190: ok 5333 # ring membership passed
190: ok 5334 # correct SSSR count
190: ok 5335 # ring membership passed
190: ok 5336 # correct SSSR count
190: ok 5337 # ring membership passed
190: ok 5338 # correct SSSR count
190: ok 5339 # ring membership passed
190: ok 5340 # correct SSSR count
190: ok 5341 # ring membership passed
190: ok 5342 # correct SSSR count
190: ok 5343 # ring membership passed
190: ok 5344 # correct SSSR count
190: ok 5345 # ring membership passed
190: ok 5346 # correct SSSR count
190: ok 5347 # ring membership passed
190: ok 5348 # correct SSSR count
190: ok 5349 # ring membership passed
190: ok 5350 # correct SSSR count
190: ok 5351 # ring membership passed
190: ok 5352 # correct SSSR count
190: ok 5353 # ring membership passed
190: ok 5354 # correct SSSR count
190: ok 5355 # ring membership passed
190: ok 5356 # correct SSSR count
190: ok 5357 # ring membership passed
190: ok 5358 # correct ring bond data
190: ok 5359 # correct ring bond data
190: ok 5360 # correct ring bond data
190: ok 5361 # correct ring bond data
190: ok 5362 # correct ring bond data
190: ok 5363 # correct ring bond data
190: ok 5364 # correct ring bond data
190: ok 5365 # correct ring bond data
190: ok 5366 # correct ring bond data
190: ok 5367 # correct ring bond data
190: ok 5368 # correct ring bond data
190: ok 5369 # correct ring bond data
190: ok 5370 # correct ring bond data
190: ok 5371 # correct ring bond data
190: ok 5372 # correct ring bond data
190: ok 5373 # correct ring bond data
190: ok 5374 # correct ring bond data
190: ok 5375 # correct ring bond data
190: ok 5376 # correct ring bond data
190: ok 5377 # correct ring bond data
190: ok 5378 # correct ring bond data
190: ok 5379 # SSSR size matches reference
190: ok 5380 # correct SSSR count
190: ok 5381 # ring membership passed
190: ok 5382 # correct SSSR count
190: ok 5383 # ring membership passed
190: ok 5384 # correct SSSR count
190: ok 5385 # ring membership passed
190: ok 5386 # correct SSSR count
190: ok 5387 # ring membership passed
190: ok 5388 # correct SSSR count
190: ok 5389 # ring membership passed
190: ok 5390 # correct SSSR count
190: ok 5391 # ring membership passed
190: ok 5392 # correct SSSR count
190: ok 5393 # ring membership passed
190: ok 5394 # correct SSSR count
190: ok 5395 # ring membership passed
190: ok 5396 # correct SSSR count
190: ok 5397 # ring membership passed
190: ok 5398 # correct SSSR count
190: ok 5399 # ring membership passed
190: ok 5400 # correct SSSR count
190: ok 5401 # ring membership passed
190: ok 5402 # correct SSSR count
190: ok 5403 # ring membership passed
190: ok 5404 # correct SSSR count
190: ok 5405 # ring membership passed
190: ok 5406 # correct SSSR count
190: ok 5407 # ring membership passed
190: ok 5408 # correct SSSR count
190: ok 5409 # ring membership passed
190: ok 5410 # correct SSSR count
190: ok 5411 # ring membership passed
190: ok 5412 # correct SSSR count
190: ok 5413 # ring membership passed
190: ok 5414 # correct SSSR count
190: ok 5415 # ring membership passed
190: ok 5416 # correct SSSR count
190: ok 5417 # ring membership passed
190: ok 5418 # correct SSSR count
190: ok 5419 # ring membership passed
190: ok 5420 # correct ring bond data
190: ok 5421 # correct ring bond data
190: ok 5422 # correct ring bond data
190: ok 5423 # correct ring bond data
190: ok 5424 # correct ring bond data
190: ok 5425 # correct ring bond data
190: ok 5426 # correct ring bond data
190: ok 5427 # correct ring bond data
190: ok 5428 # correct ring bond data
190: ok 5429 # correct ring bond data
190: ok 5430 # correct ring bond data
190: ok 5431 # correct ring bond data
190: ok 5432 # correct ring bond data
190: ok 5433 # correct ring bond data
190: ok 5434 # correct ring bond data
190: ok 5435 # SSSR size matches reference
190: ok 5436 # correct SSSR count
190: ok 5437 # ring membership passed
190: ok 5438 # correct SSSR count
190: ok 5439 # ring membership passed
190: ok 5440 # correct SSSR count
190: ok 5441 # ring membership passed
190: ok 5442 # correct SSSR count
190: ok 5443 # ring membership passed
190: ok 5444 # correct SSSR count
190: ok 5445 # ring membership passed
190: ok 5446 # correct SSSR count
190: ok 5447 # ring membership passed
190: ok 5448 # correct SSSR count
190: ok 5449 # ring membership passed
190: ok 5450 # correct SSSR count
190: ok 5451 # ring membership passed
190: ok 5452 # correct SSSR count
190: ok 5453 # ring membership passed
190: ok 5454 # correct SSSR count
190: ok 5455 # ring membership passed
190: ok 5456 # correct SSSR count
190: ok 5457 # ring membership passed
190: ok 5458 # correct SSSR count
190: ok 5459 # ring membership passed
190: ok 5460 # correct SSSR count
190: ok 5461 # ring membership passed
190: ok 5462 # correct SSSR count
190: ok 5463 # ring membership passed
190: ok 5464 # correct SSSR count
190: ok 5465 # ring membership passed
190: ok 5466 # correct ring bond data
190: ok 5467 # correct ring bond data
190: ok 5468 # correct ring bond data
190: ok 5469 # correct ring bond data
190: ok 5470 # correct ring bond data
190: ok 5471 # correct ring bond data
190: ok 5472 # correct ring bond data
190: ok 5473 # correct ring bond data
190: ok 5474 # correct ring bond data
190: ok 5475 # correct ring bond data
190: ok 5476 # correct ring bond data
190: ok 5477 # correct ring bond data
190: ok 5478 # correct ring bond data
190: ok 5479 # correct ring bond data
190: ok 5480 # correct ring bond data
190: ok 5481 # correct ring bond data
190: ok 5482 # correct ring bond data
190: ok 5483 # correct ring bond data
190: ok 5484 # correct ring bond data
190: ok 5485 # SSSR size matches reference
190: ok 5486 # correct SSSR count
190: ok 5487 # ring membership passed
190: ok 5488 # correct SSSR count
190: ok 5489 # ring membership passed
190: ok 5490 # correct SSSR count
190: ok 5491 # ring membership passed
190: ok 5492 # correct SSSR count
190: ok 5493 # ring membership passed
190: ok 5494 # correct SSSR count
190: ok 5495 # ring membership passed
190: ok 5496 # correct SSSR count
190: ok 5497 # ring membership passed
190: ok 5498 # correct SSSR count
190: ok 5499 # ring membership passed
190: ok 5500 # correct SSSR count
190: ok 5501 # ring membership passed
190: ok 5502 # correct SSSR count
190: ok 5503 # ring membership passed
190: ok 5504 # correct SSSR count
190: ok 5505 # ring membership passed
190: ok 5506 # correct SSSR count
190: ok 5507 # ring membership passed
190: ok 5508 # correct SSSR count
190: ok 5509 # ring membership passed
190: ok 5510 # correct SSSR count
190: ok 5511 # ring membership passed
190: ok 5512 # correct SSSR count
190: ok 5513 # ring membership passed
190: ok 5514 # correct SSSR count
190: ok 5515 # ring membership passed
190: ok 5516 # correct SSSR count
190: ok 5517 # ring membership passed
190: ok 5518 # correct SSSR count
190: ok 5519 # ring membership passed
190: ok 5520 # correct SSSR count
190: ok 5521 # ring membership passed
190: ok 5522 # correct SSSR count
190: ok 5523 # ring membership passed
190: ok 5524 # correct ring bond data
190: ok 5525 # correct ring bond data
190: ok 5526 # correct ring bond data
190: ok 5527 # correct ring bond data
190: ok 5528 # correct ring bond data
190: ok 5529 # correct ring bond data
190: ok 5530 # correct ring bond data
190: ok 5531 # correct ring bond data
190: ok 5532 # correct ring bond data
190: ok 5533 # correct ring bond data
190: ok 5534 # correct ring bond data
190: ok 5535 # correct ring bond data
190: ok 5536 # correct ring bond data
190: ok 5537 # correct ring bond data
190: ok 5538 # correct ring bond data
190: ok 5539 # correct ring bond data
190: ok 5540 # correct ring bond data
190: ok 5541 # correct ring bond data
190: ok 5542 # correct ring bond data
190: ok 5543 # correct ring bond data
190: ok 5544 # SSSR size matches reference
190: ok 5545 # correct SSSR count
190: ok 5546 # ring membership passed
190: ok 5547 # correct SSSR count
190: ok 5548 # ring membership passed
190: ok 5549 # correct SSSR count
190: ok 5550 # ring membership passed
190: ok 5551 # correct SSSR count
190: ok 5552 # ring membership passed
190: ok 5553 # correct SSSR count
190: ok 5554 # ring membership passed
190: ok 5555 # correct SSSR count
190: ok 5556 # ring membership passed
190: ok 5557 # correct SSSR count
190: ok 5558 # ring membership passed
190: ok 5559 # correct SSSR count
190: ok 5560 # ring membership passed
190: ok 5561 # correct SSSR count
190: ok 5562 # ring membership passed
190: ok 5563 # correct SSSR count
190: ok 5564 # ring membership passed
190: ok 5565 # correct SSSR count
190: ok 5566 # ring membership passed
190: ok 5567 # correct SSSR count
190: ok 5568 # ring membership passed
190: ok 5569 # correct SSSR count
190: ok 5570 # ring membership passed
190: ok 5571 # correct SSSR count
190: ok 5572 # ring membership passed
190: ok 5573 # correct SSSR count
190: ok 5574 # ring membership passed
190: ok 5575 # correct SSSR count
190: ok 5576 # ring membership passed
190: ok 5577 # correct SSSR count
190: ok 5578 # ring membership passed
190: ok 5579 # correct SSSR count
190: ok 5580 # ring membership passed
190: ok 5581 # correct SSSR count
190: ok 5582 # ring membership passed
190: ok 5583 # correct SSSR count
190: ok 5584 # ring membership passed
190: ok 5585 # correct ring bond data
190: ok 5586 # correct ring bond data
190: ok 5587 # correct ring bond data
190: ok 5588 # correct ring bond data
190: ok 5589 # correct ring bond data
190: ok 5590 # correct ring bond data
190: ok 5591 # correct ring bond data
190: ok 5592 # correct ring bond data
190: ok 5593 # correct ring bond data
190: ok 5594 # correct ring bond data
190: ok 5595 # correct ring bond data
190: ok 5596 # correct ring bond data
190: ok 5597 # correct ring bond data
190: ok 5598 # correct ring bond data
190: ok 5599 # correct ring bond data
190: ok 5600 # correct ring bond data
190: ok 5601 # correct ring bond data
190: ok 5602 # correct ring bond data
190: ok 5603 # correct ring bond data
190: ok 5604 # correct ring bond data
190: ok 5605 # correct ring bond data
190: ok 5606 # SSSR size matches reference
190: ok 5607 # correct SSSR count
190: ok 5608 # ring membership passed
190: ok 5609 # correct SSSR count
190: ok 5610 # ring membership passed
190: ok 5611 # correct SSSR count
190: ok 5612 # ring membership passed
190: ok 5613 # correct SSSR count
190: ok 5614 # ring membership passed
190: ok 5615 # correct SSSR count
190: ok 5616 # ring membership passed
190: ok 5617 # correct SSSR count
190: ok 5618 # ring membership passed
190: ok 5619 # correct SSSR count
190: ok 5620 # ring membership passed
190: ok 5621 # correct SSSR count
190: ok 5622 # ring membership passed
190: ok 5623 # correct SSSR count
190: ok 5624 # ring membership passed
190: ok 5625 # correct SSSR count
190: ok 5626 # ring membership passed
190: ok 5627 # correct SSSR count
190: ok 5628 # ring membership passed
190: ok 5629 # correct SSSR count
190: ok 5630 # ring membership passed
190: ok 5631 # correct SSSR count
190: ok 5632 # ring membership passed
190: ok 5633 # correct SSSR count
190: ok 5634 # ring membership passed
190: ok 5635 # correct SSSR count
190: ok 5636 # ring membership passed
190: ok 5637 # correct SSSR count
190: ok 5638 # ring membership passed
190: ok 5639 # correct SSSR count
190: ok 5640 # ring membership passed
190: ok 5641 # correct SSSR count
190: ok 5642 # ring membership passed
190: ok 5643 # correct SSSR count
190: ok 5644 # ring membership passed
190: ok 5645 # correct SSSR count
190: ok 5646 # ring membership passed
190: ok 5647 # correct SSSR count
190: ok 5648 # ring membership passed
190: ok 5649 # correct ring bond data
190: ok 5650 # correct ring bond data
190: ok 5651 # correct ring bond data
190: ok 5652 # correct ring bond data
190: ok 5653 # correct ring bond data
190: ok 5654 # correct ring bond data
190: ok 5655 # correct ring bond data
190: ok 5656 # correct ring bond data
190: ok 5657 # correct ring bond data
190: ok 5658 # correct ring bond data
190: ok 5659 # correct ring bond data
190: ok 5660 # correct ring bond data
190: ok 5661 # correct ring bond data
190: ok 5662 # correct ring bond data
190: ok 5663 # correct ring bond data
190: ok 5664 # correct ring bond data
190: ok 5665 # correct ring bond data
190: ok 5666 # correct ring bond data
190: ok 5667 # correct ring bond data
190: ok 5668 # SSSR size matches reference
190: ok 5669 # correct SSSR count
190: ok 5670 # ring membership passed
190: ok 5671 # correct SSSR count
190: ok 5672 # ring membership passed
190: ok 5673 # correct SSSR count
190: ok 5674 # ring membership passed
190: ok 5675 # correct SSSR count
190: ok 5676 # ring membership passed
190: ok 5677 # correct SSSR count
190: ok 5678 # ring membership passed
190: ok 5679 # correct SSSR count
190: ok 5680 # ring membership passed
190: ok 5681 # correct SSSR count
190: ok 5682 # ring membership passed
190: ok 5683 # correct SSSR count
190: ok 5684 # ring membership passed
190: ok 5685 # correct SSSR count
190: ok 5686 # ring membership passed
190: ok 5687 # correct SSSR count
190: ok 5688 # ring membership passed
190: ok 5689 # correct SSSR count
190: ok 5690 # ring membership passed
190: ok 5691 # correct SSSR count
190: ok 5692 # ring membership passed
190: ok 5693 # correct SSSR count
190: ok 5694 # ring membership passed
190: ok 5695 # correct SSSR count
190: ok 5696 # ring membership passed
190: ok 5697 # correct SSSR count
190: ok 5698 # ring membership passed
190: ok 5699 # correct SSSR count
190: ok 5700 # ring membership passed
190: ok 5701 # correct SSSR count
190: ok 5702 # ring membership passed
190: ok 5703 # correct SSSR count
190: ok 5704 # ring membership passed
190: ok 5705 # correct SSSR count
190: ok 5706 # ring membership passed
190: ok 5707 # correct ring bond data
190: ok 5708 # correct ring bond data
190: ok 5709 # correct ring bond data
190: ok 5710 # correct ring bond data
190: ok 5711 # correct ring bond data
190: ok 5712 # correct ring bond data
190: ok 5713 # correct ring bond data
190: ok 5714 # correct ring bond data
190: ok 5715 # correct ring bond data
190: ok 5716 # correct ring bond data
190: ok 5717 # correct ring bond data
190: ok 5718 # correct ring bond data
190: ok 5719 # correct ring bond data
190: ok 5720 # correct ring bond data
190: ok 5721 # correct ring bond data
190: ok 5722 # correct ring bond data
190: ok 5723 # correct ring bond data
190: ok 5724 # correct ring bond data
190: ok 5725 # correct ring bond data
190: ok 5726 # correct ring bond data
190: ok 5727 # correct ring bond data
190: ok 5728 # correct ring bond data
190: ok 5729 # SSSR size matches reference
190: ok 5730 # correct SSSR count
190: ok 5731 # ring membership passed
190: ok 5732 # correct SSSR count
190: ok 5733 # ring membership passed
190: ok 5734 # correct SSSR count
190: ok 5735 # ring membership passed
190: ok 5736 # correct SSSR count
190: ok 5737 # ring membership passed
190: ok 5738 # correct SSSR count
190: ok 5739 # ring membership passed
190: ok 5740 # correct SSSR count
190: ok 5741 # ring membership passed
190: ok 5742 # correct SSSR count
190: ok 5743 # ring membership passed
190: ok 5744 # correct SSSR count
190: ok 5745 # ring membership passed
190: ok 5746 # correct SSSR count
190: ok 5747 # ring membership passed
190: ok 5748 # correct SSSR count
190: ok 5749 # ring membership passed
190: ok 5750 # correct SSSR count
190: ok 5751 # ring membership passed
190: ok 5752 # correct SSSR count
190: ok 5753 # ring membership passed
190: ok 5754 # correct SSSR count
190: ok 5755 # ring membership passed
190: ok 5756 # correct SSSR count
190: ok 5757 # ring membership passed
190: ok 5758 # correct SSSR count
190: ok 5759 # ring membership passed
190: ok 5760 # correct SSSR count
190: ok 5761 # ring membership passed
190: ok 5762 # correct SSSR count
190: ok 5763 # ring membership passed
190: ok 5764 # correct SSSR count
190: ok 5765 # ring membership passed
190: ok 5766 # correct SSSR count
190: ok 5767 # ring membership passed
190: ok 5768 # correct SSSR count
190: ok 5769 # ring membership passed
190: ok 5770 # correct SSSR count
190: ok 5771 # ring membership passed
190: ok 5772 # correct SSSR count
190: ok 5773 # ring membership passed
190: ok 5774 # correct ring bond data
190: ok 5775 # correct ring bond data
190: ok 5776 # correct ring bond data
190: ok 5777 # correct ring bond data
190: ok 5778 # correct ring bond data
190: ok 5779 # correct ring bond data
190: ok 5780 # correct ring bond data
190: ok 5781 # correct ring bond data
190: ok 5782 # correct ring bond data
190: ok 5783 # correct ring bond data
190: ok 5784 # correct ring bond data
190: ok 5785 # correct ring bond data
190: ok 5786 # correct ring bond data
190: ok 5787 # correct ring bond data
190: ok 5788 # SSSR size matches reference
190: ok 5789 # correct SSSR count
190: ok 5790 # ring membership passed
190: ok 5791 # correct SSSR count
190: ok 5792 # ring membership passed
190: ok 5793 # correct SSSR count
190: ok 5794 # ring membership passed
190: ok 5795 # correct SSSR count
190: ok 5796 # ring membership passed
190: ok 5797 # correct SSSR count
190: ok 5798 # ring membership passed
190: ok 5799 # correct SSSR count
190: ok 5800 # ring membership passed
190: ok 5801 # correct SSSR count
190: ok 5802 # ring membership passed
190: ok 5803 # correct SSSR count
190: ok 5804 # ring membership passed
190: ok 5805 # correct SSSR count
190: ok 5806 # ring membership passed
190: ok 5807 # correct SSSR count
190: ok 5808 # ring membership passed
190: ok 5809 # correct SSSR count
190: ok 5810 # ring membership passed
190: ok 5811 # correct SSSR count
190: ok 5812 # ring membership passed
190: ok 5813 # correct SSSR count
190: ok 5814 # ring membership passed
190: ok 5815 # correct SSSR count
190: ok 5816 # ring membership passed
190: ok 5817 # correct ring bond data
190: ok 5818 # correct ring bond data
190: ok 5819 # correct ring bond data
190: ok 5820 # correct ring bond data
190: ok 5821 # correct ring bond data
190: ok 5822 # correct ring bond data
190: ok 5823 # correct ring bond data
190: ok 5824 # correct ring bond data
190: ok 5825 # correct ring bond data
190: ok 5826 # correct ring bond data
190: ok 5827 # correct ring bond data
190: ok 5828 # correct ring bond data
190: ok 5829 # correct ring bond data
190: ok 5830 # correct ring bond data
190: ok 5831 # correct ring bond data
190: ok 5832 # correct ring bond data
190: ok 5833 # correct ring bond data
190: ok 5834 # correct ring bond data
190: ok 5835 # correct ring bond data
190: ok 5836 # correct ring bond data
190: ok 5837 # correct ring bond data
190: ok 5838 # correct ring bond data
190: ok 5839 # correct ring bond data
190: ok 5840 # correct ring bond data
190: ok 5841 # SSSR size matches reference
190: ok 5842 # correct SSSR count
190: ok 5843 # ring membership passed
190: ok 5844 # correct SSSR count
190: ok 5845 # ring membership passed
190: ok 5846 # correct SSSR count
190: ok 5847 # ring membership passed
190: ok 5848 # correct SSSR count
190: ok 5849 # ring membership passed
190: ok 5850 # correct SSSR count
190: ok 5851 # ring membership passed
190: ok 5852 # correct SSSR count
190: ok 5853 # ring membership passed
190: ok 5854 # correct SSSR count
190: ok 5855 # ring membership passed
190: ok 5856 # correct SSSR count
190: ok 5857 # ring membership passed
190: ok 5858 # correct SSSR count
190: ok 5859 # ring membership passed
190: ok 5860 # correct SSSR count
190: ok 5861 # ring membership passed
190: ok 5862 # correct SSSR count
190: ok 5863 # ring membership passed
190: ok 5864 # correct SSSR count
190: ok 5865 # ring membership passed
190: ok 5866 # correct SSSR count
190: ok 5867 # ring membership passed
190: ok 5868 # correct SSSR count
190: ok 5869 # ring membership passed
190: ok 5870 # correct SSSR count
190: ok 5871 # ring membership passed
190: ok 5872 # correct SSSR count
190: ok 5873 # ring membership passed
190: ok 5874 # correct SSSR count
190: ok 5875 # ring membership passed
190: ok 5876 # correct SSSR count
190: ok 5877 # ring membership passed
190: ok 5878 # correct SSSR count
190: ok 5879 # ring membership passed
190: ok 5880 # correct SSSR count
190: ok 5881 # ring membership passed
190: ok 5882 # correct SSSR count
190: ok 5883 # ring membership passed
190: ok 5884 # correct SSSR count
190: ok 5885 # ring membership passed
190: ok 5886 # correct SSSR count
190: ok 5887 # ring membership passed
190: ok 5888 # correct ring bond data
190: ok 5889 # correct ring bond data
190: ok 5890 # correct ring bond data
190: ok 5891 # correct ring bond data
190: ok 5892 # correct ring bond data
190: ok 5893 # correct ring bond data
190: ok 5894 # correct ring bond data
190: ok 5895 # correct ring bond data
190: ok 5896 # correct ring bond data
190: ok 5897 # correct ring bond data
190: ok 5898 # correct ring bond data
190: ok 5899 # correct ring bond data
190: ok 5900 # correct ring bond data
190: ok 5901 # correct ring bond data
190: ok 5902 # correct ring bond data
190: ok 5903 # correct ring bond data
190: ok 5904 # correct ring bond data
190: ok 5905 # correct ring bond data
190: ok 5906 # correct ring bond data
190: ok 5907 # SSSR size matches reference
190: ok 5908 # correct SSSR count
190: ok 5909 # ring membership passed
190: ok 5910 # correct SSSR count
190: ok 5911 # ring membership passed
190: ok 5912 # correct SSSR count
190: ok 5913 # ring membership passed
190: ok 5914 # correct SSSR count
190: ok 5915 # ring membership passed
190: ok 5916 # correct SSSR count
190: ok 5917 # ring membership passed
190: ok 5918 # correct SSSR count
190: ok 5919 # ring membership passed
190: ok 5920 # correct SSSR count
190: ok 5921 # ring membership passed
190: ok 5922 # correct SSSR count
190: ok 5923 # ring membership passed
190: ok 5924 # correct SSSR count
190: ok 5925 # ring membership passed
190: ok 5926 # correct SSSR count
190: ok 5927 # ring membership passed
190: ok 5928 # correct SSSR count
190: ok 5929 # ring membership passed
190: ok 5930 # correct SSSR count
190: ok 5931 # ring membership passed
190: ok 5932 # correct SSSR count
190: ok 5933 # ring membership passed
190: ok 5934 # correct SSSR count
190: ok 5935 # ring membership passed
190: ok 5936 # correct SSSR count
190: ok 5937 # ring membership passed
190: ok 5938 # correct SSSR count
190: ok 5939 # ring membership passed
190: ok 5940 # correct SSSR count
190: ok 5941 # ring membership passed
190: ok 5942 # correct SSSR count
190: ok 5943 # ring membership passed
190: ok 5944 # correct ring bond data
190: ok 5945 # correct ring bond data
190: ok 5946 # correct ring bond data
190: ok 5947 # correct ring bond data
190: ok 5948 # correct ring bond data
190: ok 5949 # correct ring bond data
190: ok 5950 # correct ring bond data
190: ok 5951 # correct ring bond data
190: ok 5952 # correct ring bond data
190: ok 5953 # correct ring bond data
190: ok 5954 # correct ring bond data
190: ok 5955 # correct ring bond data
190: ok 5956 # correct ring bond data
190: ok 5957 # correct ring bond data
190: ok 5958 # correct ring bond data
190: ok 5959 # correct ring bond data
190: ok 5960 # correct ring bond data
190: ok 5961 # correct ring bond data
190: ok 5962 # correct ring bond data
190: ok 5963 # correct ring bond data
190: ok 5964 # SSSR size matches reference
190: ok 5965 # correct SSSR count
190: ok 5966 # ring membership passed
190: ok 5967 # correct SSSR count
190: ok 5968 # ring membership passed
190: ok 5969 # correct SSSR count
190: ok 5970 # ring membership passed
190: ok 5971 # correct SSSR count
190: ok 5972 # ring membership passed
190: ok 5973 # correct SSSR count
190: ok 5974 # ring membership passed
190: ok 5975 # correct SSSR count
190: ok 5976 # ring membership passed
190: ok 5977 # correct SSSR count
190: ok 5978 # ring membership passed
190: ok 5979 # correct SSSR count
190: ok 5980 # ring membership passed
190: ok 5981 # correct SSSR count
190: ok 5982 # ring membership passed
190: ok 5983 # correct SSSR count
190: ok 5984 # ring membership passed
190: ok 5985 # correct SSSR count
190: ok 5986 # ring membership passed
190: ok 5987 # correct SSSR count
190: ok 5988 # ring membership passed
190: ok 5989 # correct SSSR count
190: ok 5990 # ring membership passed
190: ok 5991 # correct SSSR count
190: ok 5992 # ring membership passed
190: ok 5993 # correct SSSR count
190: ok 5994 # ring membership passed
190: ok 5995 # correct SSSR count
190: ok 5996 # ring membership passed
190: ok 5997 # correct SSSR count
190: ok 5998 # ring membership passed
190: ok 5999 # correct SSSR count
190: ok 6000 # ring membership passed
190: ok 6001 # correct ring bond data
190: ok 6002 # correct ring bond data
190: ok 6003 # correct ring bond data
190: ok 6004 # correct ring bond data
190: ok 6005 # correct ring bond data
190: ok 6006 # correct ring bond data
190: ok 6007 # correct ring bond data
190: ok 6008 # correct ring bond data
190: ok 6009 # correct ring bond data
190: ok 6010 # correct ring bond data
190: ok 6011 # correct ring bond data
190: ok 6012 # correct ring bond data
190: ok 6013 # correct ring bond data
190: ok 6014 # correct ring bond data
190: ok 6015 # correct ring bond data
190: ok 6016 # correct ring bond data
190: ok 6017 # correct ring bond data
190: ok 6018 # correct ring bond data
190: ok 6019 # correct ring bond data
190: ok 6020 # correct ring bond data
190: ok 6021 # correct ring bond data
190: ok 6022 # SSSR size matches reference
190: ok 6023 # correct SSSR count
190: ok 6024 # ring membership passed
190: ok 6025 # correct SSSR count
190: ok 6026 # ring membership passed
190: ok 6027 # correct SSSR count
190: ok 6028 # ring membership passed
190: ok 6029 # correct SSSR count
190: ok 6030 # ring membership passed
190: ok 6031 # correct SSSR count
190: ok 6032 # ring membership passed
190: ok 6033 # correct SSSR count
190: ok 6034 # ring membership passed
190: ok 6035 # correct SSSR count
190: ok 6036 # ring membership passed
190: ok 6037 # correct SSSR count
190: ok 6038 # ring membership passed
190: ok 6039 # correct SSSR count
190: ok 6040 # ring membership passed
190: ok 6041 # correct SSSR count
190: ok 6042 # ring membership passed
190: ok 6043 # correct SSSR count
190: ok 6044 # ring membership passed
190: ok 6045 # correct SSSR count
190: ok 6046 # ring membership passed
190: ok 6047 # correct SSSR count
190: ok 6048 # ring membership passed
190: ok 6049 # correct SSSR count
190: ok 6050 # ring membership passed
190: ok 6051 # correct SSSR count
190: ok 6052 # ring membership passed
190: ok 6053 # correct SSSR count
190: ok 6054 # ring membership passed
190: ok 6055 # correct SSSR count
190: ok 6056 # ring membership passed
190: ok 6057 # correct SSSR count
190: ok 6058 # ring membership passed
190: ok 6059 # correct SSSR count
190: ok 6060 # ring membership passed
190: ok 6061 # correct ring bond data
190: ok 6062 # correct ring bond data
190: ok 6063 # correct ring bond data
190: ok 6064 # correct ring bond data
190: ok 6065 # correct ring bond data
190: ok 6066 # correct ring bond data
190: ok 6067 # correct ring bond data
190: ok 6068 # correct ring bond data
190: ok 6069 # correct ring bond data
190: ok 6070 # correct ring bond data
190: ok 6071 # correct ring bond data
190: ok 6072 # correct ring bond data
190: ok 6073 # correct ring bond data
190: ok 6074 # correct ring bond data
190: ok 6075 # SSSR size matches reference
190: ok 6076 # correct SSSR count
190: ok 6077 # ring membership passed
190: ok 6078 # correct SSSR count
190: ok 6079 # ring membership passed
190: ok 6080 # correct SSSR count
190: ok 6081 # ring membership passed
190: ok 6082 # correct SSSR count
190: ok 6083 # ring membership passed
190: ok 6084 # correct SSSR count
190: ok 6085 # ring membership passed
190: ok 6086 # correct SSSR count
190: ok 6087 # ring membership passed
190: ok 6088 # correct SSSR count
190: ok 6089 # ring membership passed
190: ok 6090 # correct SSSR count
190: ok 6091 # ring membership passed
190: ok 6092 # correct SSSR count
190: ok 6093 # ring membership passed
190: ok 6094 # correct SSSR count
190: ok 6095 # ring membership passed
190: ok 6096 # correct SSSR count
190: ok 6097 # ring membership passed
190: ok 6098 # correct SSSR count
190: ok 6099 # ring membership passed
190: ok 6100 # correct SSSR count
190: ok 6101 # ring membership passed
190: ok 6102 # correct SSSR count
190: ok 6103 # ring membership passed
190: ok 6104 # correct ring bond data
190: ok 6105 # correct ring bond data
190: ok 6106 # correct ring bond data
190: ok 6107 # correct ring bond data
190: ok 6108 # correct ring bond data
190: ok 6109 # correct ring bond data
190: ok 6110 # correct ring bond data
190: ok 6111 # correct ring bond data
190: ok 6112 # correct ring bond data
190: ok 6113 # correct ring bond data
190: ok 6114 # correct ring bond data
190: ok 6115 # correct ring bond data
190: ok 6116 # correct ring bond data
190: ok 6117 # correct ring bond data
190: ok 6118 # SSSR size matches reference
190: ok 6119 # correct SSSR count
190: ok 6120 # ring membership passed
190: ok 6121 # correct SSSR count
190: ok 6122 # ring membership passed
190: ok 6123 # correct SSSR count
190: ok 6124 # ring membership passed
190: ok 6125 # correct SSSR count
190: ok 6126 # ring membership passed
190: ok 6127 # correct SSSR count
190: ok 6128 # ring membership passed
190: ok 6129 # correct SSSR count
190: ok 6130 # ring membership passed
190: ok 6131 # correct SSSR count
190: ok 6132 # ring membership passed
190: ok 6133 # correct SSSR count
190: ok 6134 # ring membership passed
190: ok 6135 # correct SSSR count
190: ok 6136 # ring membership passed
190: ok 6137 # correct SSSR count
190: ok 6138 # ring membership passed
190: ok 6139 # correct SSSR count
190: ok 6140 # ring membership passed
190: ok 6141 # correct SSSR count
190: ok 6142 # ring membership passed
190: ok 6143 # correct SSSR count
190: ok 6144 # ring membership passed
190: ok 6145 # correct SSSR count
190: ok 6146 # ring membership passed
190: ok 6147 # correct ring bond data
190: ok 6148 # correct ring bond data
190: ok 6149 # correct ring bond data
190: ok 6150 # correct ring bond data
190: ok 6151 # correct ring bond data
190: ok 6152 # correct ring bond data
190: ok 6153 # correct ring bond data
190: ok 6154 # correct ring bond data
190: ok 6155 # correct ring bond data
190: ok 6156 # correct ring bond data
190: ok 6157 # correct ring bond data
190: ok 6158 # correct ring bond data
190: ok 6159 # correct ring bond data
190: ok 6160 # correct ring bond data
190: ok 6161 # SSSR size matches reference
190: ok 6162 # correct SSSR count
190: ok 6163 # ring membership passed
190: ok 6164 # correct SSSR count
190: ok 6165 # ring membership passed
190: ok 6166 # correct SSSR count
190: ok 6167 # ring membership passed
190: ok 6168 # correct SSSR count
190: ok 6169 # ring membership passed
190: ok 6170 # correct SSSR count
190: ok 6171 # ring membership passed
190: ok 6172 # correct SSSR count
190: ok 6173 # ring membership passed
190: ok 6174 # correct SSSR count
190: ok 6175 # ring membership passed
190: ok 6176 # correct SSSR count
190: ok 6177 # ring membership passed
190: ok 6178 # correct SSSR count
190: ok 6179 # ring membership passed
190: ok 6180 # correct SSSR count
190: ok 6181 # ring membership passed
190: ok 6182 # correct SSSR count
190: ok 6183 # ring membership passed
190: ok 6184 # correct SSSR count
190: ok 6185 # ring membership passed
190: ok 6186 # correct SSSR count
190: ok 6187 # ring membership passed
190: ok 6188 # correct SSSR count
190: ok 6189 # ring membership passed
190: ok 6190 # correct ring bond data
190: ok 6191 # correct ring bond data
190: ok 6192 # correct ring bond data
190: ok 6193 # correct ring bond data
190: ok 6194 # correct ring bond data
190: ok 6195 # correct ring bond data
190: ok 6196 # correct ring bond data
190: ok 6197 # correct ring bond data
190: ok 6198 # correct ring bond data
190: ok 6199 # correct ring bond data
190: ok 6200 # correct ring bond data
190: ok 6201 # correct ring bond data
190: ok 6202 # SSSR size matches reference
190: ok 6203 # correct SSSR count
190: ok 6204 # ring membership passed
190: ok 6205 # correct SSSR count
190: ok 6206 # ring membership passed
190: ok 6207 # correct SSSR count
190: ok 6208 # ring membership passed
190: ok 6209 # correct SSSR count
190: ok 6210 # ring membership passed
190: ok 6211 # correct SSSR count
190: ok 6212 # ring membership passed
190: ok 6213 # correct SSSR count
190: ok 6214 # ring membership passed
190: ok 6215 # correct SSSR count
190: ok 6216 # ring membership passed
190: ok 6217 # correct SSSR count
190: ok 6218 # ring membership passed
190: ok 6219 # correct SSSR count
190: ok 6220 # ring membership passed
190: ok 6221 # correct SSSR count
190: ok 6222 # ring membership passed
190: ok 6223 # correct SSSR count
190: ok 6224 # ring membership passed
190: ok 6225 # correct SSSR count
190: ok 6226 # ring membership passed
190: ok 6227 # correct ring bond data
190: ok 6228 # correct ring bond data
190: ok 6229 # correct ring bond data
190: ok 6230 # correct ring bond data
190: ok 6231 # correct ring bond data
190: ok 6232 # correct ring bond data
190: ok 6233 # correct ring bond data
190: ok 6234 # correct ring bond data
190: ok 6235 # correct ring bond data
190: ok 6236 # correct ring bond data
190: ok 6237 # correct ring bond data
190: ok 6238 # correct ring bond data
190: ok 6239 # correct ring bond data
190: ok 6240 # correct ring bond data
190: ok 6241 # correct ring bond data
190: ok 6242 # correct ring bond data
190: ok 6243 # correct ring bond data
190: ok 6244 # correct ring bond data
190: ok 6245 # SSSR size matches reference
190: ok 6246 # correct SSSR count
190: ok 6247 # ring membership passed
190: ok 6248 # correct SSSR count
190: ok 6249 # ring membership passed
190: ok 6250 # correct SSSR count
190: ok 6251 # ring membership passed
190: ok 6252 # correct SSSR count
190: ok 6253 # ring membership passed
190: ok 6254 # correct SSSR count
190: ok 6255 # ring membership passed
190: ok 6256 # correct SSSR count
190: ok 6257 # ring membership passed
190: ok 6258 # correct SSSR count
190: ok 6259 # ring membership passed
190: ok 6260 # correct SSSR count
190: ok 6261 # ring membership passed
190: ok 6262 # correct SSSR count
190: ok 6263 # ring membership passed
190: ok 6264 # correct SSSR count
190: ok 6265 # ring membership passed
190: ok 6266 # correct SSSR count
190: ok 6267 # ring membership passed
190: ok 6268 # correct SSSR count
190: ok 6269 # ring membership passed
190: ok 6270 # correct SSSR count
190: ok 6271 # ring membership passed
190: ok 6272 # correct SSSR count
190: ok 6273 # ring membership passed
190: ok 6274 # correct SSSR count
190: ok 6275 # ring membership passed
190: ok 6276 # correct SSSR count
190: ok 6277 # ring membership passed
190: ok 6278 # correct SSSR count
190: ok 6279 # ring membership passed
190: ok 6280 # correct ring bond data
190: ok 6281 # correct ring bond data
190: ok 6282 # correct ring bond data
190: ok 6283 # correct ring bond data
190: ok 6284 # correct ring bond data
190: ok 6285 # correct ring bond data
190: ok 6286 # correct ring bond data
190: ok 6287 # correct ring bond data
190: ok 6288 # correct ring bond data
190: ok 6289 # correct ring bond data
190: ok 6290 # correct ring bond data
190: ok 6291 # correct ring bond data
190: ok 6292 # correct ring bond data
190: ok 6293 # correct ring bond data
190: ok 6294 # correct ring bond data
190: ok 6295 # correct ring bond data
190: ok 6296 # correct ring bond data
190: ok 6297 # correct ring bond data
190: ok 6298 # correct ring bond data
190: ok 6299 # correct ring bond data
190: ok 6300 # correct ring bond data
190: ok 6301 # correct ring bond data
190: ok 6302 # correct ring bond data
190: ok 6303 # correct ring bond data
190: ok 6304 # SSSR size matches reference
190: ok 6305 # correct SSSR count
190: ok 6306 # ring membership passed
190: ok 6307 # correct SSSR count
190: ok 6308 # ring membership passed
190: ok 6309 # correct SSSR count
190: ok 6310 # ring membership passed
190: ok 6311 # correct SSSR count
190: ok 6312 # ring membership passed
190: ok 6313 # correct SSSR count
190: ok 6314 # ring membership passed
190: ok 6315 # correct SSSR count
190: ok 6316 # ring membership passed
190: ok 6317 # correct SSSR count
190: ok 6318 # ring membership passed
190: ok 6319 # correct SSSR count
190: ok 6320 # ring membership passed
190: ok 6321 # correct SSSR count
190: ok 6322 # ring membership passed
190: ok 6323 # correct SSSR count
190: ok 6324 # ring membership passed
190: ok 6325 # correct SSSR count
190: ok 6326 # ring membership passed
190: ok 6327 # correct SSSR count
190: ok 6328 # ring membership passed
190: ok 6329 # correct SSSR count
190: ok 6330 # ring membership passed
190: ok 6331 # correct SSSR count
190: ok 6332 # ring membership passed
190: ok 6333 # correct SSSR count
190: ok 6334 # ring membership passed
190: ok 6335 # correct SSSR count
190: ok 6336 # ring membership passed
190: ok 6337 # correct SSSR count
190: ok 6338 # ring membership passed
190: ok 6339 # correct SSSR count
190: ok 6340 # ring membership passed
190: ok 6341 # correct SSSR count
190: ok 6342 # ring membership passed
190: ok 6343 # correct SSSR count
190: ok 6344 # ring membership passed
190: ok 6345 # correct SSSR count
190: ok 6346 # ring membership passed
190: ok 6347 # correct SSSR count
190: ok 6348 # ring membership passed
190: ok 6349 # correct SSSR count
190: ok 6350 # ring membership passed
190: ok 6351 # correct ring bond data
190: ok 6352 # correct ring bond data
190: ok 6353 # correct ring bond data
190: ok 6354 # correct ring bond data
190: ok 6355 # correct ring bond data
190: ok 6356 # correct ring bond data
190: ok 6357 # correct ring bond data
190: ok 6358 # correct ring bond data
190: ok 6359 # correct ring bond data
190: ok 6360 # correct ring bond data
190: ok 6361 # correct ring bond data
190: ok 6362 # correct ring bond data
190: ok 6363 # correct ring bond data
190: ok 6364 # correct ring bond data
190: ok 6365 # correct ring bond data
190: ok 6366 # correct ring bond data
190: ok 6367 # correct ring bond data
190: ok 6368 # correct ring bond data
190: ok 6369 # correct ring bond data
190: ok 6370 # correct ring bond data
190: ok 6371 # correct ring bond data
190: ok 6372 # SSSR size matches reference
190: ok 6373 # correct SSSR count
190: ok 6374 # ring membership passed
190: ok 6375 # correct SSSR count
190: ok 6376 # ring membership passed
190: ok 6377 # correct SSSR count
190: ok 6378 # ring membership passed
190: ok 6379 # correct SSSR count
190: ok 6380 # ring membership passed
190: ok 6381 # correct SSSR count
190: ok 6382 # ring membership passed
190: ok 6383 # correct SSSR count
190: ok 6384 # ring membership passed
190: ok 6385 # correct SSSR count
190: ok 6386 # ring membership passed
190: ok 6387 # correct SSSR count
190: ok 6388 # ring membership passed
190: ok 6389 # correct SSSR count
190: ok 6390 # ring membership passed
190: ok 6391 # correct SSSR count
190: ok 6392 # ring membership passed
190: ok 6393 # correct SSSR count
190: ok 6394 # ring membership passed
190: ok 6395 # correct SSSR count
190: ok 6396 # ring membership passed
190: ok 6397 # correct SSSR count
190: ok 6398 # ring membership passed
190: ok 6399 # correct SSSR count
190: ok 6400 # ring membership passed
190: ok 6401 # correct SSSR count
190: ok 6402 # ring membership passed
190: ok 6403 # correct SSSR count
190: ok 6404 # ring membership passed
190: ok 6405 # correct SSSR count
190: ok 6406 # ring membership passed
190: ok 6407 # correct SSSR count
190: ok 6408 # ring membership passed
190: ok 6409 # correct SSSR count
190: ok 6410 # ring membership passed
190: ok 6411 # correct SSSR count
190: ok 6412 # ring membership passed
190: ok 6413 # correct ring bond data
190: ok 6414 # correct ring bond data
190: ok 6415 # correct ring bond data
190: ok 6416 # correct ring bond data
190: ok 6417 # correct ring bond data
190: ok 6418 # correct ring bond data
190: ok 6419 # correct ring bond data
190: ok 6420 # correct ring bond data
190: ok 6421 # correct ring bond data
190: ok 6422 # correct ring bond data
190: ok 6423 # correct ring bond data
190: ok 6424 # correct ring bond data
190: ok 6425 # correct ring bond data
190: ok 6426 # correct ring bond data
190: ok 6427 # correct ring bond data
190: ok 6428 # correct ring bond data
190: ok 6429 # correct ring bond data
190: ok 6430 # correct ring bond data
190: ok 6431 # correct ring bond data
190: ok 6432 # correct ring bond data
190: ok 6433 # correct ring bond data
190: ok 6434 # correct ring bond data
190: ok 6435 # correct ring bond data
190: ok 6436 # correct ring bond data
190: ok 6437 # correct ring bond data
190: ok 6438 # correct ring bond data
190: ok 6439 # correct ring bond data
190: ok 6440 # SSSR size matches reference
190: ok 6441 # correct SSSR count
190: ok 6442 # ring membership passed
190: ok 6443 # correct SSSR count
190: ok 6444 # ring membership passed
190: ok 6445 # correct SSSR count
190: ok 6446 # ring membership passed
190: ok 6447 # correct SSSR count
190: ok 6448 # ring membership passed
190: ok 6449 # correct SSSR count
190: ok 6450 # ring membership passed
190: ok 6451 # correct SSSR count
190: ok 6452 # ring membership passed
190: ok 6453 # correct SSSR count
190: ok 6454 # ring membership passed
190: ok 6455 # correct SSSR count
190: ok 6456 # ring membership passed
190: ok 6457 # correct SSSR count
190: ok 6458 # ring membership passed
190: ok 6459 # correct SSSR count
190: ok 6460 # ring membership passed
190: ok 6461 # correct SSSR count
190: ok 6462 # ring membership passed
190: ok 6463 # correct SSSR count
190: ok 6464 # ring membership passed
190: ok 6465 # correct SSSR count
190: ok 6466 # ring membership passed
190: ok 6467 # correct SSSR count
190: ok 6468 # ring membership passed
190: ok 6469 # correct SSSR count
190: ok 6470 # ring membership passed
190: ok 6471 # correct SSSR count
190: ok 6472 # ring membership passed
190: ok 6473 # correct SSSR count
190: ok 6474 # ring membership passed
190: ok 6475 # correct SSSR count
190: ok 6476 # ring membership passed
190: ok 6477 # correct SSSR count
190: ok 6478 # ring membership passed
190: ok 6479 # correct SSSR count
190: ok 6480 # ring membership passed
190: ok 6481 # correct SSSR count
190: ok 6482 # ring membership passed
190: ok 6483 # correct SSSR count
190: ok 6484 # ring membership passed
190: ok 6485 # correct SSSR count
190: ok 6486 # ring membership passed
190: ok 6487 # correct SSSR count
190: ok 6488 # ring membership passed
190: ok 6489 # correct SSSR count
190: ok 6490 # ring membership passed
190: ok 6491 # correct ring bond data
190: ok 6492 # correct ring bond data
190: ok 6493 # correct ring bond data
190: ok 6494 # correct ring bond data
190: ok 6495 # correct ring bond data
190: ok 6496 # correct ring bond data
190: ok 6497 # correct ring bond data
190: ok 6498 # correct ring bond data
190: ok 6499 # correct ring bond data
190: ok 6500 # correct ring bond data
190: ok 6501 # correct ring bond data
190: ok 6502 # correct ring bond data
190: ok 6503 # correct ring bond data
190: ok 6504 # correct ring bond data
190: ok 6505 # correct ring bond data
190: ok 6506 # SSSR size matches reference
190: ok 6507 # correct SSSR count
190: ok 6508 # ring membership passed
190: ok 6509 # correct SSSR count
190: ok 6510 # ring membership passed
190: ok 6511 # correct SSSR count
190: ok 6512 # ring membership passed
190: ok 6513 # correct SSSR count
190: ok 6514 # ring membership passed
190: ok 6515 # correct SSSR count
190: ok 6516 # ring membership passed
190: ok 6517 # correct SSSR count
190: ok 6518 # ring membership passed
190: ok 6519 # correct SSSR count
190: ok 6520 # ring membership passed
190: ok 6521 # correct SSSR count
190: ok 6522 # ring membership passed
190: ok 6523 # correct SSSR count
190: ok 6524 # ring membership passed
190: ok 6525 # correct SSSR count
190: ok 6526 # ring membership passed
190: ok 6527 # correct SSSR count
190: ok 6528 # ring membership passed
190: ok 6529 # correct SSSR count
190: ok 6530 # ring membership passed
190: ok 6531 # correct SSSR count
190: ok 6532 # ring membership passed
190: ok 6533 # correct SSSR count
190: ok 6534 # ring membership passed
190: ok 6535 # correct SSSR count
190: ok 6536 # ring membership passed
190: ok 6537 # correct ring bond data
190: ok 6538 # correct ring bond data
190: ok 6539 # correct ring bond data
190: ok 6540 # correct ring bond data
190: ok 6541 # correct ring bond data
190: ok 6542 # correct ring bond data
190: ok 6543 # correct ring bond data
190: ok 6544 # correct ring bond data
190: ok 6545 # correct ring bond data
190: ok 6546 # correct ring bond data
190: ok 6547 # correct ring bond data
190: ok 6548 # correct ring bond data
190: ok 6549 # correct ring bond data
190: ok 6550 # correct ring bond data
190: ok 6551 # correct ring bond data
190: ok 6552 # correct ring bond data
190: ok 6553 # correct ring bond data
190: ok 6554 # correct ring bond data
190: ok 6555 # correct ring bond data
190: ok 6556 # correct ring bond data
190: ok 6557 # SSSR size matches reference
190: ok 6558 # correct SSSR count
190: ok 6559 # ring membership passed
190: ok 6560 # correct SSSR count
190: ok 6561 # ring membership passed
190: ok 6562 # correct SSSR count
190: ok 6563 # ring membership passed
190: ok 6564 # correct SSSR count
190: ok 6565 # ring membership passed
190: ok 6566 # correct SSSR count
190: ok 6567 # ring membership passed
190: ok 6568 # correct SSSR count
190: ok 6569 # ring membership passed
190: ok 6570 # correct SSSR count
190: ok 6571 # ring membership passed
190: ok 6572 # correct SSSR count
190: ok 6573 # ring membership passed
190: ok 6574 # correct SSSR count
190: ok 6575 # ring membership passed
190: ok 6576 # correct SSSR count
190: ok 6577 # ring membership passed
190: ok 6578 # correct SSSR count
190: ok 6579 # ring membership passed
190: ok 6580 # correct SSSR count
190: ok 6581 # ring membership passed
190: ok 6582 # correct SSSR count
190: ok 6583 # ring membership passed
190: ok 6584 # correct SSSR count
190: ok 6585 # ring membership passed
190: ok 6586 # correct SSSR count
190: ok 6587 # ring membership passed
190: ok 6588 # correct SSSR count
190: ok 6589 # ring membership passed
190: ok 6590 # correct SSSR count
190: ok 6591 # ring membership passed
190: ok 6592 # correct SSSR count
190: ok 6593 # ring membership passed
190: ok 6594 # correct SSSR count
190: ok 6595 # ring membership passed
190: ok 6596 # correct ring bond data
190: ok 6597 # correct ring bond data
190: ok 6598 # correct ring bond data
190: ok 6599 # correct ring bond data
190: ok 6600 # correct ring bond data
190: ok 6601 # correct ring bond data
190: ok 6602 # correct ring bond data
190: ok 6603 # correct ring bond data
190: ok 6604 # correct ring bond data
190: ok 6605 # correct ring bond data
190: ok 6606 # correct ring bond data
190: ok 6607 # correct ring bond data
190: ok 6608 # correct ring bond data
190: ok 6609 # correct ring bond data
190: ok 6610 # SSSR size matches reference
190: ok 6611 # correct SSSR count
190: ok 6612 # ring membership passed
190: ok 6613 # correct SSSR count
190: ok 6614 # ring membership passed
190: ok 6615 # correct SSSR count
190: ok 6616 # ring membership passed
190: ok 6617 # correct SSSR count
190: ok 6618 # ring membership passed
190: ok 6619 # correct SSSR count
190: ok 6620 # ring membership passed
190: ok 6621 # correct SSSR count
190: ok 6622 # ring membership passed
190: ok 6623 # correct SSSR count
190: ok 6624 # ring membership passed
190: ok 6625 # correct SSSR count
190: ok 6626 # ring membership passed
190: ok 6627 # correct SSSR count
190: ok 6628 # ring membership passed
190: ok 6629 # correct SSSR count
190: ok 6630 # ring membership passed
190: ok 6631 # correct SSSR count
190: ok 6632 # ring membership passed
190: ok 6633 # correct SSSR count
190: ok 6634 # ring membership passed
190: ok 6635 # correct SSSR count
190: ok 6636 # ring membership passed
190: ok 6637 # correct SSSR count
190: ok 6638 # ring membership passed
190: ok 6639 # correct ring bond data
190: ok 6640 # correct ring bond data
190: ok 6641 # correct ring bond data
190: ok 6642 # correct ring bond data
190: ok 6643 # correct ring bond data
190: ok 6644 # correct ring bond data
190: ok 6645 # correct ring bond data
190: ok 6646 # correct ring bond data
190: ok 6647 # correct ring bond data
190: ok 6648 # correct ring bond data
190: ok 6649 # correct ring bond data
190: ok 6650 # correct ring bond data
190: ok 6651 # correct ring bond data
190: ok 6652 # correct ring bond data
190: ok 6653 # SSSR size matches reference
190: ok 6654 # correct SSSR count
190: ok 6655 # ring membership passed
190: ok 6656 # correct SSSR count
190: ok 6657 # ring membership passed
190: ok 6658 # correct SSSR count
190: ok 6659 # ring membership passed
190: ok 6660 # correct SSSR count
190: ok 6661 # ring membership passed
190: ok 6662 # correct SSSR count
190: ok 6663 # ring membership passed
190: ok 6664 # correct SSSR count
190: ok 6665 # ring membership passed
190: ok 6666 # correct SSSR count
190: ok 6667 # ring membership passed
190: ok 6668 # correct SSSR count
190: ok 6669 # ring membership passed
190: ok 6670 # correct SSSR count
190: ok 6671 # ring membership passed
190: ok 6672 # correct SSSR count
190: ok 6673 # ring membership passed
190: ok 6674 # correct SSSR count
190: ok 6675 # ring membership passed
190: ok 6676 # correct SSSR count
190: ok 6677 # ring membership passed
190: ok 6678 # correct SSSR count
190: ok 6679 # ring membership passed
190: ok 6680 # correct SSSR count
190: ok 6681 # ring membership passed
190: ok 6682 # correct ring bond data
190: ok 6683 # correct ring bond data
190: ok 6684 # correct ring bond data
190: ok 6685 # correct ring bond data
190: ok 6686 # correct ring bond data
190: ok 6687 # correct ring bond data
190: ok 6688 # correct ring bond data
190: ok 6689 # correct ring bond data
190: ok 6690 # correct ring bond data
190: ok 6691 # correct ring bond data
190: ok 6692 # correct ring bond data
190: ok 6693 # correct ring bond data
190: ok 6694 # correct ring bond data
190: ok 6695 # correct ring bond data
190: ok 6696 # correct ring bond data
190: ok 6697 # correct ring bond data
190: ok 6698 # correct ring bond data
190: ok 6699 # SSSR size matches reference
190: ok 6700 # correct SSSR count
190: ok 6701 # ring membership passed
190: ok 6702 # correct SSSR count
190: ok 6703 # ring membership passed
190: ok 6704 # correct SSSR count
190: ok 6705 # ring membership passed
190: ok 6706 # correct SSSR count
190: ok 6707 # ring membership passed
190: ok 6708 # correct SSSR count
190: ok 6709 # ring membership passed
190: ok 6710 # correct SSSR count
190: ok 6711 # ring membership passed
190: ok 6712 # correct SSSR count
190: ok 6713 # ring membership passed
190: ok 6714 # correct SSSR count
190: ok 6715 # ring membership passed
190: ok 6716 # correct SSSR count
190: ok 6717 # ring membership passed
190: ok 6718 # correct SSSR count
190: ok 6719 # ring membership passed
190: ok 6720 # correct SSSR count
190: ok 6721 # ring membership passed
190: ok 6722 # correct SSSR count
190: ok 6723 # ring membership passed
190: ok 6724 # correct SSSR count
190: ok 6725 # ring membership passed
190: ok 6726 # correct SSSR count
190: ok 6727 # ring membership passed
190: ok 6728 # correct SSSR count
190: ok 6729 # ring membership passed
190: ok 6730 # correct SSSR count
190: ok 6731 # ring membership passed
190: ok 6732 # correct SSSR count
190: ok 6733 # ring membership passed
190: ok 6734 # correct ring bond data
190: ok 6735 # correct ring bond data
190: ok 6736 # correct ring bond data
190: ok 6737 # correct ring bond data
190: ok 6738 # correct ring bond data
190: ok 6739 # correct ring bond data
190: ok 6740 # correct ring bond data
190: ok 6741 # correct ring bond data
190: ok 6742 # correct ring bond data
190: ok 6743 # correct ring bond data
190: ok 6744 # correct ring bond data
190: ok 6745 # correct ring bond data
190: ok 6746 # correct ring bond data
190: ok 6747 # correct ring bond data
190: ok 6748 # correct ring bond data
190: ok 6749 # correct ring bond data
190: ok 6750 # correct ring bond data
190: ok 6751 # correct ring bond data
190: ok 6752 # correct ring bond data
190: ok 6753 # correct ring bond data
190: ok 6754 # correct ring bond data
190: ok 6755 # correct ring bond data
190: ok 6756 # correct ring bond data
190: ok 6757 # correct ring bond data
190: ok 6758 # correct ring bond data
190: ok 6759 # correct ring bond data
190: ok 6760 # correct ring bond data
190: ok 6761 # correct ring bond data
190: ok 6762 # SSSR size matches reference
190: ok 6763 # correct SSSR count
190: ok 6764 # ring membership passed
190: ok 6765 # correct SSSR count
190: ok 6766 # ring membership passed
190: ok 6767 # correct SSSR count
190: ok 6768 # ring membership passed
190: ok 6769 # correct SSSR count
190: ok 6770 # ring membership passed
190: ok 6771 # correct SSSR count
190: ok 6772 # ring membership passed
190: ok 6773 # correct SSSR count
190: ok 6774 # ring membership passed
190: ok 6775 # correct SSSR count
190: ok 6776 # ring membership passed
190: ok 6777 # correct SSSR count
190: ok 6778 # ring membership passed
190: ok 6779 # correct SSSR count
190: ok 6780 # ring membership passed
190: ok 6781 # correct SSSR count
190: ok 6782 # ring membership passed
190: ok 6783 # correct SSSR count
190: ok 6784 # ring membership passed
190: ok 6785 # correct SSSR count
190: ok 6786 # ring membership passed
190: ok 6787 # correct SSSR count
190: ok 6788 # ring membership passed
190: ok 6789 # correct SSSR count
190: ok 6790 # ring membership passed
190: ok 6791 # correct SSSR count
190: ok 6792 # ring membership passed
190: ok 6793 # correct SSSR count
190: ok 6794 # ring membership passed
190: ok 6795 # correct SSSR count
190: ok 6796 # ring membership passed
190: ok 6797 # correct SSSR count
190: ok 6798 # ring membership passed
190: ok 6799 # correct SSSR count
190: ok 6800 # ring membership passed
190: ok 6801 # correct SSSR count
190: ok 6802 # ring membership passed
190: ok 6803 # correct SSSR count
190: ok 6804 # ring membership passed
190: ok 6805 # correct SSSR count
190: ok 6806 # ring membership passed
190: ok 6807 # correct SSSR count
190: ok 6808 # ring membership passed
190: ok 6809 # correct SSSR count
190: ok 6810 # ring membership passed
190: ok 6811 # correct SSSR count
190: ok 6812 # ring membership passed
190: ok 6813 # correct SSSR count
190: ok 6814 # ring membership passed
190: ok 6815 # correct ring bond data
190: ok 6816 # correct ring bond data
190: ok 6817 # correct ring bond data
190: ok 6818 # correct ring bond data
190: ok 6819 # correct ring bond data
190: ok 6820 # correct ring bond data
190: ok 6821 # correct ring bond data
190: ok 6822 # correct ring bond data
190: ok 6823 # correct ring bond data
190: ok 6824 # correct ring bond data
190: ok 6825 # correct ring bond data
190: ok 6826 # correct ring bond data
190: ok 6827 # correct ring bond data
190: ok 6828 # correct ring bond data
190: ok 6829 # correct ring bond data
190: ok 6830 # correct ring bond data
190: ok 6831 # correct ring bond data
190: ok 6832 # correct ring bond data
190: ok 6833 # correct ring bond data
190: ok 6834 # correct ring bond data
190: ok 6835 # correct ring bond data
190: ok 6836 # correct ring bond data
190: ok 6837 # correct ring bond data
190: ok 6838 # correct ring bond data
190: ok 6839 # correct ring bond data
190: ok 6840 # correct ring bond data
190: ok 6841 # SSSR size matches reference
190: ok 6842 # correct SSSR count
190: ok 6843 # ring membership passed
190: ok 6844 # correct SSSR count
190: ok 6845 # ring membership passed
190: ok 6846 # correct SSSR count
190: ok 6847 # ring membership passed
190: ok 6848 # correct SSSR count
190: ok 6849 # ring membership passed
190: ok 6850 # correct SSSR count
190: ok 6851 # ring membership passed
190: ok 6852 # correct SSSR count
190: ok 6853 # ring membership passed
190: ok 6854 # correct SSSR count
190: ok 6855 # ring membership passed
190: ok 6856 # correct SSSR count
190: ok 6857 # ring membership passed
190: ok 6858 # correct SSSR count
190: ok 6859 # ring membership passed
190: ok 6860 # correct SSSR count
190: ok 6861 # ring membership passed
190: ok 6862 # correct SSSR count
190: ok 6863 # ring membership passed
190: ok 6864 # correct SSSR count
190: ok 6865 # ring membership passed
190: ok 6866 # correct SSSR count
190: ok 6867 # ring membership passed
190: ok 6868 # correct SSSR count
190: ok 6869 # ring membership passed
190: ok 6870 # correct SSSR count
190: ok 6871 # ring membership passed
190: ok 6872 # correct SSSR count
190: ok 6873 # ring membership passed
190: ok 6874 # correct SSSR count
190: ok 6875 # ring membership passed
190: ok 6876 # correct SSSR count
190: ok 6877 # ring membership passed
190: ok 6878 # correct SSSR count
190: ok 6879 # ring membership passed
190: ok 6880 # correct SSSR count
190: ok 6881 # ring membership passed
190: ok 6882 # correct SSSR count
190: ok 6883 # ring membership passed
190: ok 6884 # correct SSSR count
190: ok 6885 # ring membership passed
190: ok 6886 # correct SSSR count
190: ok 6887 # ring membership passed
190: ok 6888 # correct SSSR count
190: ok 6889 # ring membership passed
190: ok 6890 # correct ring bond data
190: ok 6891 # correct ring bond data
190: ok 6892 # correct ring bond data
190: ok 6893 # correct ring bond data
190: ok 6894 # correct ring bond data
190: ok 6895 # correct ring bond data
190: ok 6896 # correct ring bond data
190: ok 6897 # correct ring bond data
190: ok 6898 # correct ring bond data
190: ok 6899 # correct ring bond data
190: ok 6900 # correct ring bond data
190: ok 6901 # correct ring bond data
190: ok 6902 # correct ring bond data
190: ok 6903 # correct ring bond data
190: ok 6904 # SSSR size matches reference
190: ok 6905 # correct SSSR count
190: ok 6906 # ring membership passed
190: ok 6907 # correct SSSR count
190: ok 6908 # ring membership passed
190: ok 6909 # correct SSSR count
190: ok 6910 # ring membership passed
190: ok 6911 # correct SSSR count
190: ok 6912 # ring membership passed
190: ok 6913 # correct SSSR count
190: ok 6914 # ring membership passed
190: ok 6915 # correct SSSR count
190: ok 6916 # ring membership passed
190: ok 6917 # correct SSSR count
190: ok 6918 # ring membership passed
190: ok 6919 # correct SSSR count
190: ok 6920 # ring membership passed
190: ok 6921 # correct SSSR count
190: ok 6922 # ring membership passed
190: ok 6923 # correct SSSR count
190: ok 6924 # ring membership passed
190: ok 6925 # correct SSSR count
190: ok 6926 # ring membership passed
190: ok 6927 # correct SSSR count
190: ok 6928 # ring membership passed
190: ok 6929 # correct SSSR count
190: ok 6930 # ring membership passed
190: ok 6931 # correct SSSR count
190: ok 6932 # ring membership passed
190: ok 6933 # correct ring bond data
190: ok 6934 # correct ring bond data
190: ok 6935 # correct ring bond data
190: ok 6936 # correct ring bond data
190: ok 6937 # correct ring bond data
190: ok 6938 # correct ring bond data
190: ok 6939 # correct ring bond data
190: ok 6940 # correct ring bond data
190: ok 6941 # correct ring bond data
190: ok 6942 # correct ring bond data
190: ok 6943 # correct ring bond data
190: ok 6944 # correct ring bond data
190: ok 6945 # correct ring bond data
190: ok 6946 # correct ring bond data
190: ok 6947 # correct ring bond data
190: ok 6948 # correct ring bond data
190: ok 6949 # correct ring bond data
190: ok 6950 # correct ring bond data
190: ok 6951 # SSSR size matches reference
190: ok 6952 # correct SSSR count
190: ok 6953 # ring membership passed
190: ok 6954 # correct SSSR count
190: ok 6955 # ring membership passed
190: ok 6956 # correct SSSR count
190: ok 6957 # ring membership passed
190: ok 6958 # correct SSSR count
190: ok 6959 # ring membership passed
190: ok 6960 # correct SSSR count
190: ok 6961 # ring membership passed
190: ok 6962 # correct SSSR count
190: ok 6963 # ring membership passed
190: ok 6964 # correct SSSR count
190: ok 6965 # ring membership passed
190: ok 6966 # correct SSSR count
190: ok 6967 # ring membership passed
190: ok 6968 # correct SSSR count
190: ok 6969 # ring membership passed
190: ok 6970 # correct SSSR count
190: ok 6971 # ring membership passed
190: ok 6972 # correct SSSR count
190: ok 6973 # ring membership passed
190: ok 6974 # correct SSSR count
190: ok 6975 # ring membership passed
190: ok 6976 # correct SSSR count
190: ok 6977 # ring membership passed
190: ok 6978 # correct SSSR count
190: ok 6979 # ring membership passed
190: ok 6980 # correct SSSR count
190: ok 6981 # ring membership passed
190: ok 6982 # correct SSSR count
190: ok 6983 # ring membership passed
190: ok 6984 # correct SSSR count
190: ok 6985 # ring membership passed
190: ok 6986 # correct SSSR count
190: ok 6987 # ring membership passed
190: ok 6988 # correct ring bond data
190: ok 6989 # correct ring bond data
190: ok 6990 # correct ring bond data
190: ok 6991 # correct ring bond data
190: ok 6992 # correct ring bond data
190: ok 6993 # correct ring bond data
190: ok 6994 # correct ring bond data
190: ok 6995 # correct ring bond data
190: ok 6996 # correct ring bond data
190: ok 6997 # correct ring bond data
190: ok 6998 # correct ring bond data
190: ok 6999 # correct ring bond data
190: ok 7000 # correct ring bond data
190: ok 7001 # correct ring bond data
190: ok 7002 # correct ring bond data
190: ok 7003 # correct ring bond data
190: ok 7004 # correct ring bond data
190: ok 7005 # correct ring bond data
190: ok 7006 # correct ring bond data
190: ok 7007 # correct ring bond data
190: ok 7008 # correct ring bond data
190: ok 7009 # SSSR size matches reference
190: ok 7010 # correct SSSR count
190: ok 7011 # ring membership passed
190: ok 7012 # correct SSSR count
190: ok 7013 # ring membership passed
190: ok 7014 # correct SSSR count
190: ok 7015 # ring membership passed
190: ok 7016 # correct SSSR count
190: ok 7017 # ring membership passed
190: ok 7018 # correct SSSR count
190: ok 7019 # ring membership passed
190: ok 7020 # correct SSSR count
190: ok 7021 # ring membership passed
190: ok 7022 # correct SSSR count
190: ok 7023 # ring membership passed
190: ok 7024 # correct SSSR count
190: ok 7025 # ring membership passed
190: ok 7026 # correct SSSR count
190: ok 7027 # ring membership passed
190: ok 7028 # correct SSSR count
190: ok 7029 # ring membership passed
190: ok 7030 # correct SSSR count
190: ok 7031 # ring membership passed
190: ok 7032 # correct SSSR count
190: ok 7033 # ring membership passed
190: ok 7034 # correct SSSR count
190: ok 7035 # ring membership passed
190: ok 7036 # correct SSSR count
190: ok 7037 # ring membership passed
190: ok 7038 # correct SSSR count
190: ok 7039 # ring membership passed
190: ok 7040 # correct SSSR count
190: ok 7041 # ring membership passed
190: ok 7042 # correct SSSR count
190: ok 7043 # ring membership passed
190: ok 7044 # correct SSSR count
190: ok 7045 # ring membership passed
190: ok 7046 # correct SSSR count
190: ok 7047 # ring membership passed
190: ok 7048 # correct SSSR count
190: ok 7049 # ring membership passed
190: ok 7050 # correct ring bond data
190: ok 7051 # correct ring bond data
190: ok 7052 # correct ring bond data
190: ok 7053 # correct ring bond data
190: ok 7054 # correct ring bond data
190: ok 7055 # correct ring bond data
190: ok 7056 # correct ring bond data
190: ok 7057 # correct ring bond data
190: ok 7058 # correct ring bond data
190: ok 7059 # correct ring bond data
190: ok 7060 # correct ring bond data
190: ok 7061 # correct ring bond data
190: ok 7062 # correct ring bond data
190: ok 7063 # correct ring bond data
190: ok 7064 # correct ring bond data
190: ok 7065 # correct ring bond data
190: ok 7066 # correct ring bond data
190: ok 7067 # correct ring bond data
190: ok 7068 # correct ring bond data
190: ok 7069 # correct ring bond data
190: ok 7070 # correct ring bond data
190: ok 7071 # correct ring bond data
190: ok 7072 # correct ring bond data
190: ok 7073 # SSSR size matches reference
190: ok 7074 # correct SSSR count
190: ok 7075 # ring membership passed
190: ok 7076 # correct SSSR count
190: ok 7077 # ring membership passed
190: ok 7078 # correct SSSR count
190: ok 7079 # ring membership passed
190: ok 7080 # correct SSSR count
190: ok 7081 # ring membership passed
190: ok 7082 # correct SSSR count
190: ok 7083 # ring membership passed
190: ok 7084 # correct SSSR count
190: ok 7085 # ring membership passed
190: ok 7086 # correct SSSR count
190: ok 7087 # ring membership passed
190: ok 7088 # correct SSSR count
190: ok 7089 # ring membership passed
190: ok 7090 # correct SSSR count
190: ok 7091 # ring membership passed
190: ok 7092 # correct SSSR count
190: ok 7093 # ring membership passed
190: ok 7094 # correct SSSR count
190: ok 7095 # ring membership passed
190: ok 7096 # correct SSSR count
190: ok 7097 # ring membership passed
190: ok 7098 # correct SSSR count
190: ok 7099 # ring membership passed
190: ok 7100 # correct SSSR count
190: ok 7101 # ring membership passed
190: ok 7102 # correct SSSR count
190: ok 7103 # ring membership passed
190: ok 7104 # correct SSSR count
190: ok 7105 # ring membership passed
190: ok 7106 # correct SSSR count
190: ok 7107 # ring membership passed
190: ok 7108 # correct SSSR count
190: ok 7109 # ring membership passed
190: ok 7110 # correct SSSR count
190: ok 7111 # ring membership passed
190: ok 7112 # correct SSSR count
190: ok 7113 # ring membership passed
190: ok 7114 # correct ring bond data
190: ok 7115 # correct ring bond data
190: ok 7116 # correct ring bond data
190: ok 7117 # correct ring bond data
190: ok 7118 # correct ring bond data
190: ok 7119 # correct ring bond data
190: ok 7120 # correct ring bond data
190: ok 7121 # correct ring bond data
190: ok 7122 # correct ring bond data
190: ok 7123 # correct ring bond data
190: ok 7124 # correct ring bond data
190: ok 7125 # SSSR size matches reference
190: ok 7126 # correct SSSR count
190: ok 7127 # ring membership passed
190: ok 7128 # correct SSSR count
190: ok 7129 # ring membership passed
190: ok 7130 # correct SSSR count
190: ok 7131 # ring membership passed
190: ok 7132 # correct SSSR count
190: ok 7133 # ring membership passed
190: ok 7134 # correct SSSR count
190: ok 7135 # ring membership passed
190: ok 7136 # correct SSSR count
190: ok 7137 # ring membership passed
190: ok 7138 # correct SSSR count
190: ok 7139 # ring membership passed
190: ok 7140 # correct SSSR count
190: ok 7141 # ring membership passed
190: ok 7142 # correct SSSR count
190: ok 7143 # ring membership passed
190: ok 7144 # correct SSSR count
190: ok 7145 # ring membership passed
190: ok 7146 # correct SSSR count
190: ok 7147 # ring membership passed
190: ok 7148 # correct SSSR count
190: ok 7149 # ring membership passed
190: ok 7150 # correct ring bond data
190: ok 7151 # correct ring bond data
190: ok 7152 # correct ring bond data
190: ok 7153 # correct ring bond data
190: ok 7154 # correct ring bond data
190: ok 7155 # correct ring bond data
190: ok 7156 # correct ring bond data
190: ok 7157 # correct ring bond data
190: ok 7158 # correct ring bond data
190: ok 7159 # correct ring bond data
190: ok 7160 # correct ring bond data
190: ok 7161 # correct ring bond data
190: ok 7162 # correct ring bond data
190: ok 7163 # correct ring bond data
190: ok 7164 # correct ring bond data
190: ok 7165 # correct ring bond data
190: ok 7166 # correct ring bond data
190: ok 7167 # correct ring bond data
190: ok 7168 # correct ring bond data
190: ok 7169 # correct ring bond data
190: ok 7170 # correct ring bond data
190: ok 7171 # correct ring bond data
190: ok 7172 # correct ring bond data
190: ok 7173 # correct ring bond data
190: ok 7174 # correct ring bond data
190: ok 7175 # correct ring bond data
190: ok 7176 # correct ring bond data
190: ok 7177 # correct ring bond data
190: ok 7178 # correct ring bond data
190: ok 7179 # correct ring bond data
190: ok 7180 # SSSR size matches reference
190: ok 7181 # correct SSSR count
190: ok 7182 # ring membership passed
190: ok 7183 # correct SSSR count
190: ok 7184 # ring membership passed
190: ok 7185 # correct SSSR count
190: ok 7186 # ring membership passed
190: ok 7187 # correct SSSR count
190: ok 7188 # ring membership passed
190: ok 7189 # correct SSSR count
190: ok 7190 # ring membership passed
190: ok 7191 # correct SSSR count
190: ok 7192 # ring membership passed
190: ok 7193 # correct SSSR count
190: ok 7194 # ring membership passed
190: ok 7195 # correct SSSR count
190: ok 7196 # ring membership passed
190: ok 7197 # correct SSSR count
190: ok 7198 # ring membership passed
190: ok 7199 # correct SSSR count
190: ok 7200 # ring membership passed
190: ok 7201 # correct SSSR count
190: ok 7202 # ring membership passed
190: ok 7203 # correct SSSR count
190: ok 7204 # ring membership passed
190: ok 7205 # correct SSSR count
190: ok 7206 # ring membership passed
190: ok 7207 # correct SSSR count
190: ok 7208 # ring membership passed
190: ok 7209 # correct SSSR count
190: ok 7210 # ring membership passed
190: ok 7211 # correct SSSR count
190: ok 7212 # ring membership passed
190: ok 7213 # correct SSSR count
190: ok 7214 # ring membership passed
190: ok 7215 # correct SSSR count
190: ok 7216 # ring membership passed
190: ok 7217 # correct SSSR count
190: ok 7218 # ring membership passed
190: ok 7219 # correct SSSR count
190: ok 7220 # ring membership passed
190: ok 7221 # correct SSSR count
190: ok 7222 # ring membership passed
190: ok 7223 # correct SSSR count
190: ok 7224 # ring membership passed
190: ok 7225 # correct SSSR count
190: ok 7226 # ring membership passed
190: ok 7227 # correct SSSR count
190: ok 7228 # ring membership passed
190: ok 7229 # correct SSSR count
190: ok 7230 # ring membership passed
190: ok 7231 # correct SSSR count
190: ok 7232 # ring membership passed
190: ok 7233 # correct ring bond data
190: ok 7234 # correct ring bond data
190: ok 7235 # correct ring bond data
190: ok 7236 # correct ring bond data
190: ok 7237 # correct ring bond data
190: ok 7238 # correct ring bond data
190: ok 7239 # correct ring bond data
190: ok 7240 # correct ring bond data
190: ok 7241 # correct ring bond data
190: ok 7242 # correct ring bond data
190: ok 7243 # correct ring bond data
190: ok 7244 # correct ring bond data
190: ok 7245 # SSSR size matches reference
190: ok 7246 # correct SSSR count
190: ok 7247 # ring membership passed
190: ok 7248 # correct SSSR count
190: ok 7249 # ring membership passed
190: ok 7250 # correct SSSR count
190: ok 7251 # ring membership passed
190: ok 7252 # correct SSSR count
190: ok 7253 # ring membership passed
190: ok 7254 # correct SSSR count
190: ok 7255 # ring membership passed
190: ok 7256 # correct SSSR count
190: ok 7257 # ring membership passed
190: ok 7258 # correct SSSR count
190: ok 7259 # ring membership passed
190: ok 7260 # correct SSSR count
190: ok 7261 # ring membership passed
190: ok 7262 # correct SSSR count
190: ok 7263 # ring membership passed
190: ok 7264 # correct SSSR count
190: ok 7265 # ring membership passed
190: ok 7266 # correct SSSR count
190: ok 7267 # ring membership passed
190: ok 7268 # correct ring bond data
190: ok 7269 # correct ring bond data
190: ok 7270 # correct ring bond data
190: ok 7271 # correct ring bond data
190: ok 7272 # correct ring bond data
190: ok 7273 # correct ring bond data
190: ok 7274 # correct ring bond data
190: ok 7275 # correct ring bond data
190: ok 7276 # correct ring bond data
190: ok 7277 # correct ring bond data
190: ok 7278 # correct ring bond data
190: ok 7279 # correct ring bond data
190: ok 7280 # correct ring bond data
190: ok 7281 # correct ring bond data
190: ok 7282 # correct ring bond data
190: ok 7283 # correct ring bond data
190: ok 7284 # correct ring bond data
190: ok 7285 # correct ring bond data
190: ok 7286 # correct ring bond data
190: ok 7287 # correct ring bond data
190: ok 7288 # correct ring bond data
190: ok 7289 # correct ring bond data
190: ok 7290 # correct ring bond data
190: ok 7291 # SSSR size matches reference
190: ok 7292 # correct SSSR count
190: ok 7293 # ring membership passed
190: ok 7294 # correct SSSR count
190: ok 7295 # ring membership passed
190: ok 7296 # correct SSSR count
190: ok 7297 # ring membership passed
190: ok 7298 # correct SSSR count
190: ok 7299 # ring membership passed
190: ok 7300 # correct SSSR count
190: ok 7301 # ring membership passed
190: ok 7302 # correct SSSR count
190: ok 7303 # ring membership passed
190: ok 7304 # correct SSSR count
190: ok 7305 # ring membership passed
190: ok 7306 # correct SSSR count
190: ok 7307 # ring membership passed
190: ok 7308 # correct SSSR count
190: ok 7309 # ring membership passed
190: ok 7310 # correct SSSR count
190: ok 7311 # ring membership passed
190: ok 7312 # correct SSSR count
190: ok 7313 # ring membership passed
190: ok 7314 # correct SSSR count
190: ok 7315 # ring membership passed
190: ok 7316 # correct SSSR count
190: ok 7317 # ring membership passed
190: ok 7318 # correct SSSR count
190: ok 7319 # ring membership passed
190: ok 7320 # correct SSSR count
190: ok 7321 # ring membership passed
190: ok 7322 # correct SSSR count
190: ok 7323 # ring membership passed
190: ok 7324 # correct SSSR count
190: ok 7325 # ring membership passed
190: ok 7326 # correct SSSR count
190: ok 7327 # ring membership passed
190: ok 7328 # correct SSSR count
190: ok 7329 # ring membership passed
190: ok 7330 # correct SSSR count
190: ok 7331 # ring membership passed
190: ok 7332 # correct ring bond data
190: ok 7333 # correct ring bond data
190: ok 7334 # correct ring bond data
190: ok 7335 # correct ring bond data
190: ok 7336 # correct ring bond data
190: ok 7337 # correct ring bond data
190: ok 7338 # correct ring bond data
190: ok 7339 # correct ring bond data
190: ok 7340 # correct ring bond data
190: ok 7341 # correct ring bond data
190: ok 7342 # correct ring bond data
190: ok 7343 # correct ring bond data
190: ok 7344 # correct ring bond data
190: ok 7345 # SSSR size matches reference
190: ok 7346 # correct SSSR count
190: ok 7347 # ring membership passed
190: ok 7348 # correct SSSR count
190: ok 7349 # ring membership passed
190: ok 7350 # correct SSSR count
190: ok 7351 # ring membership passed
190: ok 7352 # correct SSSR count
190: ok 7353 # ring membership passed
190: ok 7354 # correct SSSR count
190: ok 7355 # ring membership passed
190: ok 7356 # correct SSSR count
190: ok 7357 # ring membership passed
190: ok 7358 # correct SSSR count
190: ok 7359 # ring membership passed
190: ok 7360 # correct SSSR count
190: ok 7361 # ring membership passed
190: ok 7362 # correct SSSR count
190: ok 7363 # ring membership passed
190: ok 7364 # correct SSSR count
190: ok 7365 # ring membership passed
190: ok 7366 # correct SSSR count
190: ok 7367 # ring membership passed
190: ok 7368 # correct SSSR count
190: ok 7369 # ring membership passed
190: ok 7370 # correct SSSR count
190: ok 7371 # ring membership passed
190: ok 7372 # correct SSSR count
190: ok 7373 # ring membership passed
190: ok 7374 # correct ring bond data
190: ok 7375 # correct ring bond data
190: ok 7376 # correct ring bond data
190: ok 7377 # correct ring bond data
190: ok 7378 # correct ring bond data
190: ok 7379 # correct ring bond data
190: ok 7380 # correct ring bond data
190: ok 7381 # correct ring bond data
190: ok 7382 # correct ring bond data
190: ok 7383 # correct ring bond data
190: ok 7384 # correct ring bond data
190: ok 7385 # correct ring bond data
190: ok 7386 # correct ring bond data
190: ok 7387 # correct ring bond data
190: ok 7388 # correct ring bond data
190: ok 7389 # correct ring bond data
190: ok 7390 # correct ring bond data
190: ok 7391 # correct ring bond data
190: ok 7392 # correct ring bond data
190: ok 7393 # correct ring bond data
190: ok 7394 # correct ring bond data
190: ok 7395 # correct ring bond data
190: ok 7396 # correct ring bond data
190: ok 7397 # correct ring bond data
190: ok 7398 # correct ring bond data
190: ok 7399 # correct ring bond data
190: ok 7400 # correct ring bond data
190: ok 7401 # SSSR size matches reference
190: ok 7402 # correct SSSR count
190: ok 7403 # ring membership passed
190: ok 7404 # correct SSSR count
190: ok 7405 # ring membership passed
190: ok 7406 # correct SSSR count
190: ok 7407 # ring membership passed
190: ok 7408 # correct SSSR count
190: ok 7409 # ring membership passed
190: ok 7410 # correct SSSR count
190: ok 7411 # ring membership passed
190: ok 7412 # correct SSSR count
190: ok 7413 # ring membership passed
190: ok 7414 # correct SSSR count
190: ok 7415 # ring membership passed
190: ok 7416 # correct SSSR count
190: ok 7417 # ring membership passed
190: ok 7418 # correct SSSR count
190: ok 7419 # ring membership passed
190: ok 7420 # correct SSSR count
190: ok 7421 # ring membership passed
190: ok 7422 # correct SSSR count
190: ok 7423 # ring membership passed
190: ok 7424 # correct SSSR count
190: ok 7425 # ring membership passed
190: ok 7426 # correct SSSR count
190: ok 7427 # ring membership passed
190: ok 7428 # correct SSSR count
190: ok 7429 # ring membership passed
190: ok 7430 # correct SSSR count
190: ok 7431 # ring membership passed
190: ok 7432 # correct SSSR count
190: ok 7433 # ring membership passed
190: ok 7434 # correct SSSR count
190: ok 7435 # ring membership passed
190: ok 7436 # correct SSSR count
190: ok 7437 # ring membership passed
190: ok 7438 # correct SSSR count
190: ok 7439 # ring membership passed
190: ok 7440 # correct SSSR count
190: ok 7441 # ring membership passed
190: ok 7442 # correct SSSR count
190: ok 7443 # ring membership passed
190: ok 7444 # correct SSSR count
190: ok 7445 # ring membership passed
190: ok 7446 # correct SSSR count
190: ok 7447 # ring membership passed
190: ok 7448 # correct SSSR count
190: ok 7449 # ring membership passed
190: ok 7450 # correct SSSR count
190: ok 7451 # ring membership passed
190: ok 7452 # correct SSSR count
190: ok 7453 # ring membership passed
190: ok 7454 # correct ring bond data
190: ok 7455 # correct ring bond data
190: ok 7456 # correct ring bond data
190: ok 7457 # correct ring bond data
190: ok 7458 # correct ring bond data
190: ok 7459 # correct ring bond data
190: ok 7460 # correct ring bond data
190: ok 7461 # correct ring bond data
190: ok 7462 # correct ring bond data
190: ok 7463 # correct ring bond data
190: ok 7464 # correct ring bond data
190: ok 7465 # correct ring bond data
190: ok 7466 # correct ring bond data
190: ok 7467 # correct ring bond data
190: ok 7468 # correct ring bond data
190: ok 7469 # correct ring bond data
190: ok 7470 # correct ring bond data
190: ok 7471 # correct ring bond data
190: ok 7472 # correct ring bond data
190: ok 7473 # correct ring bond data
190: ok 7474 # correct ring bond data
190: ok 7475 # correct ring bond data
190: ok 7476 # correct ring bond data
190: ok 7477 # correct ring bond data
190: ok 7478 # correct ring bond data
190: ok 7479 # correct ring bond data
190: ok 7480 # correct ring bond data
190: ok 7481 # SSSR size matches reference
190: ok 7482 # correct SSSR count
190: ok 7483 # ring membership passed
190: ok 7484 # correct SSSR count
190: ok 7485 # ring membership passed
190: ok 7486 # correct SSSR count
190: ok 7487 # ring membership passed
190: ok 7488 # correct SSSR count
190: ok 7489 # ring membership passed
190: ok 7490 # correct SSSR count
190: ok 7491 # ring membership passed
190: ok 7492 # correct SSSR count
190: ok 7493 # ring membership passed
190: ok 7494 # correct SSSR count
190: ok 7495 # ring membership passed
190: ok 7496 # correct SSSR count
190: ok 7497 # ring membership passed
190: ok 7498 # correct SSSR count
190: ok 7499 # ring membership passed
190: ok 7500 # correct SSSR count
190: ok 7501 # ring membership passed
190: ok 7502 # correct SSSR count
190: ok 7503 # ring membership passed
190: ok 7504 # correct SSSR count
190: ok 7505 # ring membership passed
190: ok 7506 # correct SSSR count
190: ok 7507 # ring membership passed
190: ok 7508 # correct SSSR count
190: ok 7509 # ring membership passed
190: ok 7510 # correct SSSR count
190: ok 7511 # ring membership passed
190: ok 7512 # correct SSSR count
190: ok 7513 # ring membership passed
190: ok 7514 # correct SSSR count
190: ok 7515 # ring membership passed
190: ok 7516 # correct SSSR count
190: ok 7517 # ring membership passed
190: ok 7518 # correct SSSR count
190: ok 7519 # ring membership passed
190: ok 7520 # correct SSSR count
190: ok 7521 # ring membership passed
190: ok 7522 # correct SSSR count
190: ok 7523 # ring membership passed
190: ok 7524 # correct SSSR count
190: ok 7525 # ring membership passed
190: ok 7526 # correct SSSR count
190: ok 7527 # ring membership passed
190: ok 7528 # correct ring bond data
190: ok 7529 # correct ring bond data
190: ok 7530 # correct ring bond data
190: ok 7531 # correct ring bond data
190: ok 7532 # correct ring bond data
190: ok 7533 # correct ring bond data
190: ok 7534 # correct ring bond data
190: ok 7535 # correct ring bond data
190: ok 7536 # correct ring bond data
190: ok 7537 # correct ring bond data
190: ok 7538 # correct ring bond data
190: ok 7539 # correct ring bond data
190: ok 7540 # correct ring bond data
190: ok 7541 # correct ring bond data
190: ok 7542 # correct ring bond data
190: ok 7543 # SSSR size matches reference
190: ok 7544 # correct SSSR count
190: ok 7545 # ring membership passed
190: ok 7546 # correct SSSR count
190: ok 7547 # ring membership passed
190: ok 7548 # correct SSSR count
190: ok 7549 # ring membership passed
190: ok 7550 # correct SSSR count
190: ok 7551 # ring membership passed
190: ok 7552 # correct SSSR count
190: ok 7553 # ring membership passed
190: ok 7554 # correct SSSR count
190: ok 7555 # ring membership passed
190: ok 7556 # correct SSSR count
190: ok 7557 # ring membership passed
190: ok 7558 # correct SSSR count
190: ok 7559 # ring membership passed
190: ok 7560 # correct SSSR count
190: ok 7561 # ring membership passed
190: ok 7562 # correct SSSR count
190: ok 7563 # ring membership passed
190: ok 7564 # correct SSSR count
190: ok 7565 # ring membership passed
190: ok 7566 # correct SSSR count
190: ok 7567 # ring membership passed
190: ok 7568 # correct SSSR count
190: ok 7569 # ring membership passed
190: ok 7570 # correct SSSR count
190: ok 7571 # ring membership passed
190: ok 7572 # correct ring bond data
190: ok 7573 # correct ring bond data
190: ok 7574 # correct ring bond data
190: ok 7575 # correct ring bond data
190: ok 7576 # correct ring bond data
190: ok 7577 # correct ring bond data
190: ok 7578 # correct ring bond data
190: ok 7579 # correct ring bond data
190: ok 7580 # correct ring bond data
190: ok 7581 # correct ring bond data
190: ok 7582 # correct ring bond data
190: ok 7583 # correct ring bond data
190: ok 7584 # correct ring bond data
190: ok 7585 # SSSR size matches reference
190: ok 7586 # correct SSSR count
190: ok 7587 # ring membership passed
190: ok 7588 # correct SSSR count
190: ok 7589 # ring membership passed
190: ok 7590 # correct SSSR count
190: ok 7591 # ring membership passed
190: ok 7592 # correct SSSR count
190: ok 7593 # ring membership passed
190: ok 7594 # correct SSSR count
190: ok 7595 # ring membership passed
190: ok 7596 # correct SSSR count
190: ok 7597 # ring membership passed
190: ok 7598 # correct SSSR count
190: ok 7599 # ring membership passed
190: ok 7600 # correct SSSR count
190: ok 7601 # ring membership passed
190: ok 7602 # correct SSSR count
190: ok 7603 # ring membership passed
190: ok 7604 # correct SSSR count
190: ok 7605 # ring membership passed
190: ok 7606 # correct SSSR count
190: ok 7607 # ring membership passed
190: ok 7608 # correct SSSR count
190: ok 7609 # ring membership passed
190: ok 7610 # correct SSSR count
190: ok 7611 # ring membership passed
190: ok 7612 # correct SSSR count
190: ok 7613 # ring membership passed
190: ok 7614 # correct ring bond data
190: ok 7615 # correct ring bond data
190: ok 7616 # correct ring bond data
190: ok 7617 # correct ring bond data
190: ok 7618 # correct ring bond data
190: ok 7619 # correct ring bond data
190: ok 7620 # correct ring bond data
190: ok 7621 # correct ring bond data
190: ok 7622 # correct ring bond data
190: ok 7623 # correct ring bond data
190: ok 7624 # correct ring bond data
190: ok 7625 # correct ring bond data
190: ok 7626 # correct ring bond data
190: ok 7627 # correct ring bond data
190: ok 7628 # correct ring bond data
190: ok 7629 # correct ring bond data
190: ok 7630 # correct ring bond data
190: ok 7631 # correct ring bond data
190: ok 7632 # correct ring bond data
190: ok 7633 # correct ring bond data
190: ok 7634 # correct ring bond data
190: ok 7635 # correct ring bond data
190: ok 7636 # correct ring bond data
190: ok 7637 # correct ring bond data
190: ok 7638 # correct ring bond data
190: ok 7639 # correct ring bond data
190: ok 7640 # correct ring bond data
190: ok 7641 # correct ring bond data
190: ok 7642 # correct ring bond data
190: ok 7643 # correct ring bond data
190: ok 7644 # correct ring bond data
190: ok 7645 # correct ring bond data
190: ok 7646 # correct ring bond data
190: ok 7647 # SSSR size matches reference
190: ok 7648 # correct SSSR count
190: ok 7649 # ring membership passed
190: ok 7650 # correct SSSR count
190: ok 7651 # ring membership passed
190: ok 7652 # correct SSSR count
190: ok 7653 # ring membership passed
190: ok 7654 # correct SSSR count
190: ok 7655 # ring membership passed
190: ok 7656 # correct SSSR count
190: ok 7657 # ring membership passed
190: ok 7658 # correct SSSR count
190: ok 7659 # ring membership passed
190: ok 7660 # correct SSSR count
190: ok 7661 # ring membership passed
190: ok 7662 # correct SSSR count
190: ok 7663 # ring membership passed
190: ok 7664 # correct SSSR count
190: ok 7665 # ring membership passed
190: ok 7666 # correct SSSR count
190: ok 7667 # ring membership passed
190: ok 7668 # correct SSSR count
190: ok 7669 # ring membership passed
190: ok 7670 # correct SSSR count
190: ok 7671 # ring membership passed
190: ok 7672 # correct SSSR count
190: ok 7673 # ring membership passed
190: ok 7674 # correct SSSR count
190: ok 7675 # ring membership passed
190: ok 7676 # correct SSSR count
190: ok 7677 # ring membership passed
190: ok 7678 # correct SSSR count
190: ok 7679 # ring membership passed
190: ok 7680 # correct SSSR count
190: ok 7681 # ring membership passed
190: ok 7682 # correct SSSR count
190: ok 7683 # ring membership passed
190: ok 7684 # correct SSSR count
190: ok 7685 # ring membership passed
190: ok 7686 # correct SSSR count
190: ok 7687 # ring membership passed
190: ok 7688 # correct SSSR count
190: ok 7689 # ring membership passed
190: ok 7690 # correct SSSR count
190: ok 7691 # ring membership passed
190: ok 7692 # correct SSSR count
190: ok 7693 # ring membership passed
190: ok 7694 # correct SSSR count
190: ok 7695 # ring membership passed
190: ok 7696 # correct SSSR count
190: ok 7697 # ring membership passed
190: ok 7698 # correct SSSR count
190: ok 7699 # ring membership passed
190: ok 7700 # correct SSSR count
190: ok 7701 # ring membership passed
190: ok 7702 # correct SSSR count
190: ok 7703 # ring membership passed
190: ok 7704 # correct SSSR count
190: ok 7705 # ring membership passed
190: ok 7706 # correct SSSR count
190: ok 7707 # ring membership passed
190: ok 7708 # correct ring bond data
190: ok 7709 # correct ring bond data
190: ok 7710 # correct ring bond data
190: ok 7711 # correct ring bond data
190: ok 7712 # correct ring bond data
190: ok 7713 # correct ring bond data
190: ok 7714 # correct ring bond data
190: ok 7715 # correct ring bond data
190: ok 7716 # correct ring bond data
190: ok 7717 # correct ring bond data
190: ok 7718 # correct ring bond data
190: ok 7719 # correct ring bond data
190: ok 7720 # correct ring bond data
190: ok 7721 # correct ring bond data
190: ok 7722 # correct ring bond data
190: ok 7723 # correct ring bond data
190: ok 7724 # correct ring bond data
190: ok 7725 # correct ring bond data
190: ok 7726 # correct ring bond data
190: ok 7727 # correct ring bond data
190: ok 7728 # correct ring bond data
190: ok 7729 # SSSR size matches reference
190: ok 7730 # correct SSSR count
190: ok 7731 # ring membership passed
190: ok 7732 # correct SSSR count
190: ok 7733 # ring membership passed
190: ok 7734 # correct SSSR count
190: ok 7735 # ring membership passed
190: ok 7736 # correct SSSR count
190: ok 7737 # ring membership passed
190: ok 7738 # correct SSSR count
190: ok 7739 # ring membership passed
190: ok 7740 # correct SSSR count
190: ok 7741 # ring membership passed
190: ok 7742 # correct SSSR count
190: ok 7743 # ring membership passed
190: ok 7744 # correct SSSR count
190: ok 7745 # ring membership passed
190: ok 7746 # correct SSSR count
190: ok 7747 # ring membership passed
190: ok 7748 # correct SSSR count
190: ok 7749 # ring membership passed
190: ok 7750 # correct SSSR count
190: ok 7751 # ring membership passed
190: ok 7752 # correct SSSR count
190: ok 7753 # ring membership passed
190: ok 7754 # correct SSSR count
190: ok 7755 # ring membership passed
190: ok 7756 # correct SSSR count
190: ok 7757 # ring membership passed
190: ok 7758 # correct SSSR count
190: ok 7759 # ring membership passed
190: ok 7760 # correct SSSR count
190: ok 7761 # ring membership passed
190: ok 7762 # correct SSSR count
190: ok 7763 # ring membership passed
190: ok 7764 # correct SSSR count
190: ok 7765 # ring membership passed
190: ok 7766 # correct SSSR count
190: ok 7767 # ring membership passed
190: ok 7768 # correct SSSR count
190: ok 7769 # ring membership passed
190: ok 7770 # correct ring bond data
190: ok 7771 # correct ring bond data
190: ok 7772 # correct ring bond data
190: ok 7773 # correct ring bond data
190: ok 7774 # correct ring bond data
190: ok 7775 # correct ring bond data
190: ok 7776 # correct ring bond data
190: ok 7777 # correct ring bond data
190: ok 7778 # correct ring bond data
190: ok 7779 # correct ring bond data
190: ok 7780 # correct ring bond data
190: ok 7781 # correct ring bond data
190: ok 7782 # correct ring bond data
190: ok 7783 # correct ring bond data
190: ok 7784 # correct ring bond data
190: ok 7785 # correct ring bond data
190: ok 7786 # correct ring bond data
190: ok 7787 # correct ring bond data
190: ok 7788 # correct ring bond data
190: ok 7789 # correct ring bond data
190: ok 7790 # correct ring bond data
190: ok 7791 # correct ring bond data
190: ok 7792 # correct ring bond data
190: ok 7793 # correct ring bond data
190: ok 7794 # correct ring bond data
190: ok 7795 # correct ring bond data
190: ok 7796 # correct ring bond data
190: ok 7797 # SSSR size matches reference
190: ok 7798 # correct SSSR count
190: ok 7799 # ring membership passed
190: ok 7800 # correct SSSR count
190: ok 7801 # ring membership passed
190: ok 7802 # correct SSSR count
190: ok 7803 # ring membership passed
190: ok 7804 # correct SSSR count
190: ok 7805 # ring membership passed
190: ok 7806 # correct SSSR count
190: ok 7807 # ring membership passed
190: ok 7808 # correct SSSR count
190: ok 7809 # ring membership passed
190: ok 7810 # correct SSSR count
190: ok 7811 # ring membership passed
190: ok 7812 # correct SSSR count
190: ok 7813 # ring membership passed
190: ok 7814 # correct SSSR count
190: ok 7815 # ring membership passed
190: ok 7816 # correct SSSR count
190: ok 7817 # ring membership passed
190: ok 7818 # correct SSSR count
190: ok 7819 # ring membership passed
190: ok 7820 # correct SSSR count
190: ok 7821 # ring membership passed
190: ok 7822 # correct SSSR count
190: ok 7823 # ring membership passed
190: ok 7824 # correct SSSR count
190: ok 7825 # ring membership passed
190: ok 7826 # correct SSSR count
190: ok 7827 # ring membership passed
190: ok 7828 # correct SSSR count
190: ok 7829 # ring membership passed
190: ok 7830 # correct SSSR count
190: ok 7831 # ring membership passed
190: ok 7832 # correct SSSR count
190: ok 7833 # ring membership passed
190: ok 7834 # correct SSSR count
190: ok 7835 # ring membership passed
190: ok 7836 # correct SSSR count
190: ok 7837 # ring membership passed
190: ok 7838 # correct SSSR count
190: ok 7839 # ring membership passed
190: ok 7840 # correct SSSR count
190: ok 7841 # ring membership passed
190: ok 7842 # correct SSSR count
190: ok 7843 # ring membership passed
190: ok 7844 # correct SSSR count
190: ok 7845 # ring membership passed
190: ok 7846 # correct SSSR count
190: ok 7847 # ring membership passed
190: ok 7848 # correct SSSR count
190: ok 7849 # ring membership passed
190: ok 7850 # correct ring bond data
190: ok 7851 # correct ring bond data
190: ok 7852 # correct ring bond data
190: ok 7853 # correct ring bond data
190: ok 7854 # correct ring bond data
190: ok 7855 # correct ring bond data
190: ok 7856 # correct ring bond data
190: ok 7857 # correct ring bond data
190: ok 7858 # correct ring bond data
190: ok 7859 # correct ring bond data
190: ok 7860 # correct ring bond data
190: ok 7861 # correct ring bond data
190: ok 7862 # correct ring bond data
190: ok 7863 # correct ring bond data
190: ok 7864 # correct ring bond data
190: ok 7865 # correct ring bond data
190: ok 7866 # correct ring bond data
190: ok 7867 # correct ring bond data
190: ok 7868 # correct ring bond data
190: ok 7869 # correct ring bond data
190: ok 7870 # correct ring bond data
190: ok 7871 # correct ring bond data
190: ok 7872 # correct ring bond data
190: ok 7873 # correct ring bond data
190: ok 7874 # correct ring bond data
190: ok 7875 # SSSR size matches reference
190: ok 7876 # correct SSSR count
190: ok 7877 # ring membership passed
190: ok 7878 # correct SSSR count
190: ok 7879 # ring membership passed
190: ok 7880 # correct SSSR count
190: ok 7881 # ring membership passed
190: ok 7882 # correct SSSR count
190: ok 7883 # ring membership passed
190: ok 7884 # correct SSSR count
190: ok 7885 # ring membership passed
190: ok 7886 # correct SSSR count
190: ok 7887 # ring membership passed
190: ok 7888 # correct SSSR count
190: ok 7889 # ring membership passed
190: ok 7890 # correct SSSR count
190: ok 7891 # ring membership passed
190: ok 7892 # correct SSSR count
190: ok 7893 # ring membership passed
190: ok 7894 # correct SSSR count
190: ok 7895 # ring membership passed
190: ok 7896 # correct SSSR count
190: ok 7897 # ring membership passed
190: ok 7898 # correct SSSR count
190: ok 7899 # ring membership passed
190: ok 7900 # correct SSSR count
190: ok 7901 # ring membership passed
190: ok 7902 # correct SSSR count
190: ok 7903 # ring membership passed
190: ok 7904 # correct SSSR count
190: ok 7905 # ring membership passed
190: ok 7906 # correct SSSR count
190: ok 7907 # ring membership passed
190: ok 7908 # correct SSSR count
190: ok 7909 # ring membership passed
190: ok 7910 # correct SSSR count
190: ok 7911 # ring membership passed
190: ok 7912 # correct SSSR count
190: ok 7913 # ring membership passed
190: ok 7914 # correct SSSR count
190: ok 7915 # ring membership passed
190: ok 7916 # correct SSSR count
190: ok 7917 # ring membership passed
190: ok 7918 # correct SSSR count
190: ok 7919 # ring membership passed
190: ok 7920 # correct SSSR count
190: ok 7921 # ring membership passed
190: ok 7922 # correct SSSR count
190: ok 7923 # ring membership passed
190: ok 7924 # correct ring bond data
190: ok 7925 # correct ring bond data
190: ok 7926 # correct ring bond data
190: ok 7927 # correct ring bond data
190: ok 7928 # correct ring bond data
190: ok 7929 # correct ring bond data
190: ok 7930 # correct ring bond data
190: ok 7931 # correct ring bond data
190: ok 7932 # correct ring bond data
190: ok 7933 # correct ring bond data
190: ok 7934 # correct ring bond data
190: ok 7935 # correct ring bond data
190: ok 7936 # correct ring bond data
190: ok 7937 # correct ring bond data
190: ok 7938 # correct ring bond data
190: ok 7939 # correct ring bond data
190: ok 7940 # correct ring bond data
190: ok 7941 # correct ring bond data
190: ok 7942 # correct ring bond data
190: ok 7943 # correct ring bond data
190: ok 7944 # correct ring bond data
190: ok 7945 # correct ring bond data
190: ok 7946 # correct ring bond data
190: ok 7947 # correct ring bond data
190: ok 7948 # correct ring bond data
190: ok 7949 # correct ring bond data
190: ok 7950 # correct ring bond data
190: ok 7951 # correct ring bond data
190: ok 7952 # correct ring bond data
190: ok 7953 # correct ring bond data
190: ok 7954 # correct ring bond data
190: ok 7955 # correct ring bond data
190: ok 7956 # correct ring bond data
190: ok 7957 # SSSR size matches reference
190: ok 7958 # correct SSSR count
190: ok 7959 # ring membership passed
190: ok 7960 # correct SSSR count
190: ok 7961 # ring membership passed
190: ok 7962 # correct SSSR count
190: ok 7963 # ring membership passed
190: ok 7964 # correct SSSR count
190: ok 7965 # ring membership passed
190: ok 7966 # correct SSSR count
190: ok 7967 # ring membership passed
190: ok 7968 # correct SSSR count
190: ok 7969 # ring membership passed
190: ok 7970 # correct SSSR count
190: ok 7971 # ring membership passed
190: ok 7972 # correct SSSR count
190: ok 7973 # ring membership passed
190: ok 7974 # correct SSSR count
190: ok 7975 # ring membership passed
190: ok 7976 # correct SSSR count
190: ok 7977 # ring membership passed
190: ok 7978 # correct SSSR count
190: ok 7979 # ring membership passed
190: ok 7980 # correct SSSR count
190: ok 7981 # ring membership passed
190: ok 7982 # correct SSSR count
190: ok 7983 # ring membership passed
190: ok 7984 # correct SSSR count
190: ok 7985 # ring membership passed
190: ok 7986 # correct SSSR count
190: ok 7987 # ring membership passed
190: ok 7988 # correct SSSR count
190: ok 7989 # ring membership passed
190: ok 7990 # correct SSSR count
190: ok 7991 # ring membership passed
190: ok 7992 # correct SSSR count
190: ok 7993 # ring membership passed
190: ok 7994 # correct SSSR count
190: ok 7995 # ring membership passed
190: ok 7996 # correct SSSR count
190: ok 7997 # ring membership passed
190: ok 7998 # correct SSSR count
190: ok 7999 # ring membership passed
190: ok 8000 # correct SSSR count
190: ok 8001 # ring membership passed
190: ok 8002 # correct SSSR count
190: ok 8003 # ring membership passed
190: ok 8004 # correct SSSR count
190: ok 8005 # ring membership passed
190: ok 8006 # correct SSSR count
190: ok 8007 # ring membership passed
190: ok 8008 # correct SSSR count
190: ok 8009 # ring membership passed
190: ok 8010 # correct SSSR count
190: ok 8011 # ring membership passed
190: ok 8012 # correct SSSR count
190: ok 8013 # ring membership passed
190: ok 8014 # correct SSSR count
190: ok 8015 # ring membership passed
190: ok 8016 # correct SSSR count
190: ok 8017 # ring membership passed
190: ok 8018 # correct SSSR count
190: ok 8019 # ring membership passed
190: ok 8020 # correct ring bond data
190: ok 8021 # correct ring bond data
190: ok 8022 # correct ring bond data
190: ok 8023 # correct ring bond data
190: ok 8024 # correct ring bond data
190: ok 8025 # correct ring bond data
190: ok 8026 # correct ring bond data
190: ok 8027 # correct ring bond data
190: ok 8028 # correct ring bond data
190: ok 8029 # correct ring bond data
190: ok 8030 # correct ring bond data
190: ok 8031 # correct ring bond data
190: ok 8032 # correct ring bond data
190: ok 8033 # correct ring bond data
190: ok 8034 # correct ring bond data
190: ok 8035 # correct ring bond data
190: ok 8036 # correct ring bond data
190: ok 8037 # correct ring bond data
190: ok 8038 # correct ring bond data
190: ok 8039 # correct ring bond data
190: ok 8040 # correct ring bond data
190: ok 8041 # correct ring bond data
190: ok 8042 # correct ring bond data
190: ok 8043 # correct ring bond data
190: ok 8044 # correct ring bond data
190: ok 8045 # SSSR size matches reference
190: ok 8046 # correct SSSR count
190: ok 8047 # ring membership passed
190: ok 8048 # correct SSSR count
190: ok 8049 # ring membership passed
190: ok 8050 # correct SSSR count
190: ok 8051 # ring membership passed
190: ok 8052 # correct SSSR count
190: ok 8053 # ring membership passed
190: ok 8054 # correct SSSR count
190: ok 8055 # ring membership passed
190: ok 8056 # correct SSSR count
190: ok 8057 # ring membership passed
190: ok 8058 # correct SSSR count
190: ok 8059 # ring membership passed
190: ok 8060 # correct SSSR count
190: ok 8061 # ring membership passed
190: ok 8062 # correct SSSR count
190: ok 8063 # ring membership passed
190: ok 8064 # correct SSSR count
190: ok 8065 # ring membership passed
190: ok 8066 # correct SSSR count
190: ok 8067 # ring membership passed
190: ok 8068 # correct SSSR count
190: ok 8069 # ring membership passed
190: ok 8070 # correct SSSR count
190: ok 8071 # ring membership passed
190: ok 8072 # correct SSSR count
190: ok 8073 # ring membership passed
190: ok 8074 # correct SSSR count
190: ok 8075 # ring membership passed
190: ok 8076 # correct SSSR count
190: ok 8077 # ring membership passed
190: ok 8078 # correct SSSR count
190: ok 8079 # ring membership passed
190: ok 8080 # correct SSSR count
190: ok 8081 # ring membership passed
190: ok 8082 # correct SSSR count
190: ok 8083 # ring membership passed
190: ok 8084 # correct SSSR count
190: ok 8085 # ring membership passed
190: ok 8086 # correct SSSR count
190: ok 8087 # ring membership passed
190: ok 8088 # correct SSSR count
190: ok 8089 # ring membership passed
190: ok 8090 # correct SSSR count
190: ok 8091 # ring membership passed
190: ok 8092 # correct SSSR count
190: ok 8093 # ring membership passed
190: ok 8094 # correct ring bond data
190: ok 8095 # correct ring bond data
190: ok 8096 # correct ring bond data
190: ok 8097 # correct ring bond data
190: ok 8098 # correct ring bond data
190: ok 8099 # correct ring bond data
190: ok 8100 # correct ring bond data
190: ok 8101 # correct ring bond data
190: ok 8102 # correct ring bond data
190: ok 8103 # correct ring bond data
190: ok 8104 # correct ring bond data
190: ok 8105 # correct ring bond data
190: ok 8106 # correct ring bond data
190: ok 8107 # correct ring bond data
190: ok 8108 # correct ring bond data
190: ok 8109 # correct ring bond data
190: ok 8110 # correct ring bond data
190: ok 8111 # correct ring bond data
190: ok 8112 # correct ring bond data
190: ok 8113 # correct ring bond data
190: ok 8114 # correct ring bond data
190: ok 8115 # correct ring bond data
190: ok 8116 # correct ring bond data
190: ok 8117 # correct ring bond data
190: ok 8118 # correct ring bond data
190: ok 8119 # correct ring bond data
190: ok 8120 # SSSR size matches reference
190: ok 8121 # correct SSSR count
190: ok 8122 # ring membership passed
190: ok 8123 # correct SSSR count
190: ok 8124 # ring membership passed
190: ok 8125 # correct SSSR count
190: ok 8126 # ring membership passed
190: ok 8127 # correct SSSR count
190: ok 8128 # ring membership passed
190: ok 8129 # correct SSSR count
190: ok 8130 # ring membership passed
190: ok 8131 # correct SSSR count
190: ok 8132 # ring membership passed
190: ok 8133 # correct SSSR count
190: ok 8134 # ring membership passed
190: ok 8135 # correct SSSR count
190: ok 8136 # ring membership passed
190: ok 8137 # correct SSSR count
190: ok 8138 # ring membership passed
190: ok 8139 # correct SSSR count
190: ok 8140 # ring membership passed
190: ok 8141 # correct SSSR count
190: ok 8142 # ring membership passed
190: ok 8143 # correct SSSR count
190: ok 8144 # ring membership passed
190: ok 8145 # correct SSSR count
190: ok 8146 # ring membership passed
190: ok 8147 # correct SSSR count
190: ok 8148 # ring membership passed
190: ok 8149 # correct SSSR count
190: ok 8150 # ring membership passed
190: ok 8151 # correct SSSR count
190: ok 8152 # ring membership passed
190: ok 8153 # correct SSSR count
190: ok 8154 # ring membership passed
190: ok 8155 # correct SSSR count
190: ok 8156 # ring membership passed
190: ok 8157 # correct SSSR count
190: ok 8158 # ring membership passed
190: ok 8159 # correct SSSR count
190: ok 8160 # ring membership passed
190: ok 8161 # correct SSSR count
190: ok 8162 # ring membership passed
190: ok 8163 # correct SSSR count
190: ok 8164 # ring membership passed
190: ok 8165 # correct SSSR count
190: ok 8166 # ring membership passed
190: ok 8167 # correct SSSR count
190: ok 8168 # ring membership passed
190: ok 8169 # correct SSSR count
190: ok 8170 # ring membership passed
190: ok 8171 # correct ring bond data
190: ok 8172 # correct ring bond data
190: ok 8173 # correct ring bond data
190: ok 8174 # correct ring bond data
190: ok 8175 # correct ring bond data
190: ok 8176 # correct ring bond data
190: ok 8177 # correct ring bond data
190: ok 8178 # correct ring bond data
190: ok 8179 # correct ring bond data
190: ok 8180 # correct ring bond data
190: ok 8181 # correct ring bond data
190: ok 8182 # correct ring bond data
190: ok 8183 # correct ring bond data
190: ok 8184 # correct ring bond data
190: ok 8185 # correct ring bond data
190: ok 8186 # correct ring bond data
190: ok 8187 # correct ring bond data
190: ok 8188 # correct ring bond data
190: ok 8189 # correct ring bond data
190: ok 8190 # correct ring bond data
190: ok 8191 # correct ring bond data
190: ok 8192 # correct ring bond data
190: ok 8193 # correct ring bond data
190: ok 8194 # correct ring bond data
190: ok 8195 # SSSR size matches reference
190: ok 8196 # correct SSSR count
190: ok 8197 # ring membership passed
190: ok 8198 # correct SSSR count
190: ok 8199 # ring membership passed
190: ok 8200 # correct SSSR count
190: ok 8201 # ring membership passed
190: ok 8202 # correct SSSR count
190: ok 8203 # ring membership passed
190: ok 8204 # correct SSSR count
190: ok 8205 # ring membership passed
190: ok 8206 # correct SSSR count
190: ok 8207 # ring membership passed
190: ok 8208 # correct SSSR count
190: ok 8209 # ring membership passed
190: ok 8210 # correct SSSR count
190: ok 8211 # ring membership passed
190: ok 8212 # correct SSSR count
190: ok 8213 # ring membership passed
190: ok 8214 # correct SSSR count
190: ok 8215 # ring membership passed
190: ok 8216 # correct SSSR count
190: ok 8217 # ring membership passed
190: ok 8218 # correct SSSR count
190: ok 8219 # ring membership passed
190: ok 8220 # correct SSSR count
190: ok 8221 # ring membership passed
190: ok 8222 # correct SSSR count
190: ok 8223 # ring membership passed
190: ok 8224 # correct SSSR count
190: ok 8225 # ring membership passed
190: ok 8226 # correct SSSR count
190: ok 8227 # ring membership passed
190: ok 8228 # correct SSSR count
190: ok 8229 # ring membership passed
190: ok 8230 # correct SSSR count
190: ok 8231 # ring membership passed
190: ok 8232 # correct SSSR count
190: ok 8233 # ring membership passed
190: ok 8234 # correct SSSR count
190: ok 8235 # ring membership passed
190: ok 8236 # correct SSSR count
190: ok 8237 # ring membership passed
190: ok 8238 # correct SSSR count
190: ok 8239 # ring membership passed
190: ok 8240 # correct SSSR count
190: ok 8241 # ring membership passed
190: ok 8242 # correct ring bond data
190: ok 8243 # correct ring bond data
190: ok 8244 # correct ring bond data
190: ok 8245 # correct ring bond data
190: ok 8246 # correct ring bond data
190: ok 8247 # correct ring bond data
190: ok 8248 # correct ring bond data
190: ok 8249 # correct ring bond data
190: ok 8250 # correct ring bond data
190: ok 8251 # correct ring bond data
190: ok 8252 # correct ring bond data
190: ok 8253 # correct ring bond data
190: ok 8254 # correct ring bond data
190: ok 8255 # correct ring bond data
190: ok 8256 # correct ring bond data
190: ok 8257 # correct ring bond data
190: ok 8258 # correct ring bond data
190: ok 8259 # correct ring bond data
190: ok 8260 # correct ring bond data
190: ok 8261 # SSSR size matches reference
190: ok 8262 # correct SSSR count
190: ok 8263 # ring membership passed
190: ok 8264 # correct SSSR count
190: ok 8265 # ring membership passed
190: ok 8266 # correct SSSR count
190: ok 8267 # ring membership passed
190: ok 8268 # correct SSSR count
190: ok 8269 # ring membership passed
190: ok 8270 # correct SSSR count
190: ok 8271 # ring membership passed
190: ok 8272 # correct SSSR count
190: ok 8273 # ring membership passed
190: ok 8274 # correct SSSR count
190: ok 8275 # ring membership passed
190: ok 8276 # correct SSSR count
190: ok 8277 # ring membership passed
190: ok 8278 # correct SSSR count
190: ok 8279 # ring membership passed
190: ok 8280 # correct SSSR count
190: ok 8281 # ring membership passed
190: ok 8282 # correct SSSR count
190: ok 8283 # ring membership passed
190: ok 8284 # correct SSSR count
190: ok 8285 # ring membership passed
190: ok 8286 # correct SSSR count
190: ok 8287 # ring membership passed
190: ok 8288 # correct SSSR count
190: ok 8289 # ring membership passed
190: ok 8290 # correct SSSR count
190: ok 8291 # ring membership passed
190: ok 8292 # correct SSSR count
190: ok 8293 # ring membership passed
190: ok 8294 # correct SSSR count
190: ok 8295 # ring membership passed
190: ok 8296 # correct SSSR count
190: ok 8297 # ring membership passed
190: ok 8298 # correct ring bond data
190: ok 8299 # correct ring bond data
190: ok 8300 # correct ring bond data
190: ok 8301 # correct ring bond data
190: ok 8302 # correct ring bond data
190: ok 8303 # correct ring bond data
190: ok 8304 # correct ring bond data
190: ok 8305 # correct ring bond data
190: ok 8306 # correct ring bond data
190: ok 8307 # correct ring bond data
190: ok 8308 # correct ring bond data
190: ok 8309 # correct ring bond data
190: ok 8310 # correct ring bond data
190: ok 8311 # correct ring bond data
190: ok 8312 # correct ring bond data
190: ok 8313 # correct ring bond data
190: ok 8314 # correct ring bond data
190: ok 8315 # correct ring bond data
190: ok 8316 # correct ring bond data
190: ok 8317 # SSSR size matches reference
190: ok 8318 # correct SSSR count
190: ok 8319 # ring membership passed
190: ok 8320 # correct SSSR count
190: ok 8321 # ring membership passed
190: ok 8322 # correct SSSR count
190: ok 8323 # ring membership passed
190: ok 8324 # correct SSSR count
190: ok 8325 # ring membership passed
190: ok 8326 # correct SSSR count
190: ok 8327 # ring membership passed
190: ok 8328 # correct SSSR count
190: ok 8329 # ring membership passed
190: ok 8330 # correct SSSR count
190: ok 8331 # ring membership passed
190: ok 8332 # correct SSSR count
190: ok 8333 # ring membership passed
190: ok 8334 # correct SSSR count
190: ok 8335 # ring membership passed
190: ok 8336 # correct SSSR count
190: ok 8337 # ring membership passed
190: ok 8338 # correct SSSR count
190: ok 8339 # ring membership passed
190: ok 8340 # correct SSSR count
190: ok 8341 # ring membership passed
190: ok 8342 # correct SSSR count
190: ok 8343 # ring membership passed
190: ok 8344 # correct SSSR count
190: ok 8345 # ring membership passed
190: ok 8346 # correct SSSR count
190: ok 8347 # ring membership passed
190: ok 8348 # correct SSSR count
190: ok 8349 # ring membership passed
190: ok 8350 # correct SSSR count
190: ok 8351 # ring membership passed
190: ok 8352 # correct SSSR count
190: ok 8353 # ring membership passed
190: ok 8354 # correct ring bond data
190: ok 8355 # correct ring bond data
190: ok 8356 # correct ring bond data
190: ok 8357 # correct ring bond data
190: ok 8358 # correct ring bond data
190: ok 8359 # correct ring bond data
190: ok 8360 # correct ring bond data
190: ok 8361 # correct ring bond data
190: ok 8362 # correct ring bond data
190: ok 8363 # correct ring bond data
190: ok 8364 # correct ring bond data
190: ok 8365 # correct ring bond data
190: ok 8366 # correct ring bond data
190: ok 8367 # correct ring bond data
190: ok 8368 # correct ring bond data
190: ok 8369 # correct ring bond data
190: ok 8370 # correct ring bond data
190: ok 8371 # correct ring bond data
190: ok 8372 # correct ring bond data
190: ok 8373 # correct ring bond data
190: ok 8374 # correct ring bond data
190: ok 8375 # SSSR size matches reference
190: ok 8376 # correct SSSR count
190: ok 8377 # ring membership passed
190: ok 8378 # correct SSSR count
190: ok 8379 # ring membership passed
190: ok 8380 # correct SSSR count
190: ok 8381 # ring membership passed
190: ok 8382 # correct SSSR count
190: ok 8383 # ring membership passed
190: ok 8384 # correct SSSR count
190: ok 8385 # ring membership passed
190: ok 8386 # correct SSSR count
190: ok 8387 # ring membership passed
190: ok 8388 # correct SSSR count
190: ok 8389 # ring membership passed
190: ok 8390 # correct SSSR count
190: ok 8391 # ring membership passed
190: ok 8392 # correct SSSR count
190: ok 8393 # ring membership passed
190: ok 8394 # correct SSSR count
190: ok 8395 # ring membership passed
190: ok 8396 # correct SSSR count
190: ok 8397 # ring membership passed
190: ok 8398 # correct SSSR count
190: ok 8399 # ring membership passed
190: ok 8400 # correct SSSR count
190: ok 8401 # ring membership passed
190: ok 8402 # correct SSSR count
190: ok 8403 # ring membership passed
190: ok 8404 # correct SSSR count
190: ok 8405 # ring membership passed
190: ok 8406 # correct SSSR count
190: ok 8407 # ring membership passed
190: ok 8408 # correct SSSR count
190: ok 8409 # ring membership passed
190: ok 8410 # correct SSSR count
190: ok 8411 # ring membership passed
190: ok 8412 # correct SSSR count
190: ok 8413 # ring membership passed
190: ok 8414 # correct SSSR count
190: ok 8415 # ring membership passed
190: ok 8416 # correct ring bond data
190: ok 8417 # correct ring bond data
190: ok 8418 # correct ring bond data
190: ok 8419 # correct ring bond data
190: ok 8420 # correct ring bond data
190: ok 8421 # correct ring bond data
190: ok 8422 # correct ring bond data
190: ok 8423 # correct ring bond data
190: ok 8424 # correct ring bond data
190: ok 8425 # correct ring bond data
190: ok 8426 # correct ring bond data
190: ok 8427 # correct ring bond data
190: ok 8428 # correct ring bond data
190: ok 8429 # SSSR size matches reference
190: ok 8430 # correct SSSR count
190: ok 8431 # ring membership passed
190: ok 8432 # correct SSSR count
190: ok 8433 # ring membership passed
190: ok 8434 # correct SSSR count
190: ok 8435 # ring membership passed
190: ok 8436 # correct SSSR count
190: ok 8437 # ring membership passed
190: ok 8438 # correct SSSR count
190: ok 8439 # ring membership passed
190: ok 8440 # correct SSSR count
190: ok 8441 # ring membership passed
190: ok 8442 # correct SSSR count
190: ok 8443 # ring membership passed
190: ok 8444 # correct SSSR count
190: ok 8445 # ring membership passed
190: ok 8446 # correct SSSR count
190: ok 8447 # ring membership passed
190: ok 8448 # correct SSSR count
190: ok 8449 # ring membership passed
190: ok 8450 # correct SSSR count
190: ok 8451 # ring membership passed
190: ok 8452 # correct SSSR count
190: ok 8453 # ring membership passed
190: ok 8454 # correct SSSR count
190: ok 8455 # ring membership passed
190: ok 8456 # correct ring bond data
190: ok 8457 # correct ring bond data
190: ok 8458 # correct ring bond data
190: ok 8459 # correct ring bond data
190: ok 8460 # correct ring bond data
190: ok 8461 # correct ring bond data
190: ok 8462 # correct ring bond data
190: ok 8463 # correct ring bond data
190: ok 8464 # correct ring bond data
190: ok 8465 # correct ring bond data
190: ok 8466 # correct ring bond data
190: ok 8467 # correct ring bond data
190: ok 8468 # correct ring bond data
190: ok 8469 # correct ring bond data
190: ok 8470 # correct ring bond data
190: ok 8471 # correct ring bond data
190: ok 8472 # correct ring bond data
190: ok 8473 # correct ring bond data
190: ok 8474 # correct ring bond data
190: ok 8475 # SSSR size matches reference
190: ok 8476 # correct SSSR count
190: ok 8477 # ring membership passed
190: ok 8478 # correct SSSR count
190: ok 8479 # ring membership passed
190: ok 8480 # correct SSSR count
190: ok 8481 # ring membership passed
190: ok 8482 # correct SSSR count
190: ok 8483 # ring membership passed
190: ok 8484 # correct SSSR count
190: ok 8485 # ring membership passed
190: ok 8486 # correct SSSR count
190: ok 8487 # ring membership passed
190: ok 8488 # correct SSSR count
190: ok 8489 # ring membership passed
190: ok 8490 # correct SSSR count
190: ok 8491 # ring membership passed
190: ok 8492 # correct SSSR count
190: ok 8493 # ring membership passed
190: ok 8494 # correct SSSR count
190: ok 8495 # ring membership passed
190: ok 8496 # correct SSSR count
190: ok 8497 # ring membership passed
190: ok 8498 # correct SSSR count
190: ok 8499 # ring membership passed
190: ok 8500 # correct SSSR count
190: ok 8501 # ring membership passed
190: ok 8502 # correct SSSR count
190: ok 8503 # ring membership passed
190: ok 8504 # correct SSSR count
190: ok 8505 # ring membership passed
190: ok 8506 # correct SSSR count
190: ok 8507 # ring membership passed
190: ok 8508 # correct SSSR count
190: ok 8509 # ring membership passed
190: ok 8510 # correct SSSR count
190: ok 8511 # ring membership passed
190: ok 8512 # correct ring bond data
190: ok 8513 # correct ring bond data
190: ok 8514 # correct ring bond data
190: ok 8515 # correct ring bond data
190: ok 8516 # correct ring bond data
190: ok 8517 # correct ring bond data
190: ok 8518 # correct ring bond data
190: ok 8519 # correct ring bond data
190: ok 8520 # correct ring bond data
190: ok 8521 # correct ring bond data
190: ok 8522 # correct ring bond data
190: ok 8523 # correct ring bond data
190: ok 8524 # correct ring bond data
190: ok 8525 # correct ring bond data
190: ok 8526 # correct ring bond data
190: ok 8527 # correct ring bond data
190: ok 8528 # SSSR size matches reference
190: ok 8529 # correct SSSR count
190: ok 8530 # ring membership passed
190: ok 8531 # correct SSSR count
190: ok 8532 # ring membership passed
190: ok 8533 # correct SSSR count
190: ok 8534 # ring membership passed
190: ok 8535 # correct SSSR count
190: ok 8536 # ring membership passed
190: ok 8537 # correct SSSR count
190: ok 8538 # ring membership passed
190: ok 8539 # correct SSSR count
190: ok 8540 # ring membership passed
190: ok 8541 # correct SSSR count
190: ok 8542 # ring membership passed
190: ok 8543 # correct SSSR count
190: ok 8544 # ring membership passed
190: ok 8545 # correct SSSR count
190: ok 8546 # ring membership passed
190: ok 8547 # correct SSSR count
190: ok 8548 # ring membership passed
190: ok 8549 # correct SSSR count
190: ok 8550 # ring membership passed
190: ok 8551 # correct SSSR count
190: ok 8552 # ring membership passed
190: ok 8553 # correct SSSR count
190: ok 8554 # ring membership passed
190: ok 8555 # correct SSSR count
190: ok 8556 # ring membership passed
190: ok 8557 # correct SSSR count
190: ok 8558 # ring membership passed
190: ok 8559 # correct ring bond data
190: ok 8560 # correct ring bond data
190: ok 8561 # correct ring bond data
190: ok 8562 # correct ring bond data
190: ok 8563 # correct ring bond data
190: ok 8564 # correct ring bond data
190: ok 8565 # correct ring bond data
190: ok 8566 # correct ring bond data
190: ok 8567 # correct ring bond data
190: ok 8568 # correct ring bond data
190: ok 8569 # correct ring bond data
190: ok 8570 # correct ring bond data
190: ok 8571 # correct ring bond data
190: ok 8572 # correct ring bond data
190: ok 8573 # correct ring bond data
190: ok 8574 # correct ring bond data
190: ok 8575 # correct ring bond data
190: ok 8576 # correct ring bond data
190: ok 8577 # correct ring bond data
190: ok 8578 # SSSR size matches reference
190: ok 8579 # correct SSSR count
190: ok 8580 # ring membership passed
190: ok 8581 # correct SSSR count
190: ok 8582 # ring membership passed
190: ok 8583 # correct SSSR count
190: ok 8584 # ring membership passed
190: ok 8585 # correct SSSR count
190: ok 8586 # ring membership passed
190: ok 8587 # correct SSSR count
190: ok 8588 # ring membership passed
190: ok 8589 # correct SSSR count
190: ok 8590 # ring membership passed
190: ok 8591 # correct SSSR count
190: ok 8592 # ring membership passed
190: ok 8593 # correct SSSR count
190: ok 8594 # ring membership passed
190: ok 8595 # correct SSSR count
190: ok 8596 # ring membership passed
190: ok 8597 # correct SSSR count
190: ok 8598 # ring membership passed
190: ok 8599 # correct SSSR count
190: ok 8600 # ring membership passed
190: ok 8601 # correct SSSR count
190: ok 8602 # ring membership passed
190: ok 8603 # correct SSSR count
190: ok 8604 # ring membership passed
190: ok 8605 # correct SSSR count
190: ok 8606 # ring membership passed
190: ok 8607 # correct SSSR count
190: ok 8608 # ring membership passed
190: ok 8609 # correct SSSR count
190: ok 8610 # ring membership passed
190: ok 8611 # correct SSSR count
190: ok 8612 # ring membership passed
190: ok 8613 # correct SSSR count
190: ok 8614 # ring membership passed
190: ok 8615 # correct ring bond data
190: ok 8616 # correct ring bond data
190: ok 8617 # correct ring bond data
190: ok 8618 # correct ring bond data
190: ok 8619 # correct ring bond data
190: ok 8620 # correct ring bond data
190: ok 8621 # correct ring bond data
190: ok 8622 # correct ring bond data
190: ok 8623 # correct ring bond data
190: ok 8624 # correct ring bond data
190: ok 8625 # correct ring bond data
190: ok 8626 # correct ring bond data
190: ok 8627 # correct ring bond data
190: ok 8628 # correct ring bond data
190: ok 8629 # correct ring bond data
190: ok 8630 # correct ring bond data
190: ok 8631 # correct ring bond data
190: ok 8632 # correct ring bond data
190: ok 8633 # correct ring bond data
190: ok 8634 # correct ring bond data
190: ok 8635 # correct ring bond data
190: ok 8636 # correct ring bond data
190: ok 8637 # correct ring bond data
190: ok 8638 # correct ring bond data
190: ok 8639 # correct ring bond data
190: ok 8640 # correct ring bond data
190: ok 8641 # SSSR size matches reference
190: ok 8642 # correct SSSR count
190: ok 8643 # ring membership passed
190: ok 8644 # correct SSSR count
190: ok 8645 # ring membership passed
190: ok 8646 # correct SSSR count
190: ok 8647 # ring membership passed
190: ok 8648 # correct SSSR count
190: ok 8649 # ring membership passed
190: ok 8650 # correct SSSR count
190: ok 8651 # ring membership passed
190: ok 8652 # correct SSSR count
190: ok 8653 # ring membership passed
190: ok 8654 # correct SSSR count
190: ok 8655 # ring membership passed
190: ok 8656 # correct SSSR count
190: ok 8657 # ring membership passed
190: ok 8658 # correct SSSR count
190: ok 8659 # ring membership passed
190: ok 8660 # correct SSSR count
190: ok 8661 # ring membership passed
190: ok 8662 # correct SSSR count
190: ok 8663 # ring membership passed
190: ok 8664 # correct SSSR count
190: ok 8665 # ring membership passed
190: ok 8666 # correct SSSR count
190: ok 8667 # ring membership passed
190: ok 8668 # correct SSSR count
190: ok 8669 # ring membership passed
190: ok 8670 # correct SSSR count
190: ok 8671 # ring membership passed
190: ok 8672 # correct SSSR count
190: ok 8673 # ring membership passed
190: ok 8674 # correct SSSR count
190: ok 8675 # ring membership passed
190: ok 8676 # correct SSSR count
190: ok 8677 # ring membership passed
190: ok 8678 # correct SSSR count
190: ok 8679 # ring membership passed
190: ok 8680 # correct SSSR count
190: ok 8681 # ring membership passed
190: ok 8682 # correct SSSR count
190: ok 8683 # ring membership passed
190: ok 8684 # correct SSSR count
190: ok 8685 # ring membership passed
190: ok 8686 # correct SSSR count
190: ok 8687 # ring membership passed
190: ok 8688 # correct SSSR count
190: ok 8689 # ring membership passed
190: ok 8690 # correct ring bond data
190: ok 8691 # correct ring bond data
190: ok 8692 # correct ring bond data
190: ok 8693 # correct ring bond data
190: ok 8694 # correct ring bond data
190: ok 8695 # correct ring bond data
190: ok 8696 # correct ring bond data
190: ok 8697 # correct ring bond data
190: ok 8698 # correct ring bond data
190: ok 8699 # correct ring bond data
190: ok 8700 # correct ring bond data
190: ok 8701 # correct ring bond data
190: ok 8702 # correct ring bond data
190: ok 8703 # correct ring bond data
190: ok 8704 # correct ring bond data
190: ok 8705 # correct ring bond data
190: ok 8706 # correct ring bond data
190: ok 8707 # correct ring bond data
190: ok 8708 # correct ring bond data
190: ok 8709 # correct ring bond data
190: ok 8710 # correct ring bond data
190: ok 8711 # correct ring bond data
190: ok 8712 # correct ring bond data
190: ok 8713 # correct ring bond data
190: ok 8714 # correct ring bond data
190: ok 8715 # correct ring bond data
190: ok 8716 # correct ring bond data
190: ok 8717 # correct ring bond data
190: ok 8718 # correct ring bond data
190: ok 8719 # correct ring bond data
190: ok 8720 # correct ring bond data
190: ok 8721 # correct ring bond data
190: ok 8722 # correct ring bond data
190: ok 8723 # correct ring bond data
190: ok 8724 # SSSR size matches reference
190: ok 8725 # correct SSSR count
190: ok 8726 # ring membership passed
190: ok 8727 # correct SSSR count
190: ok 8728 # ring membership passed
190: ok 8729 # correct SSSR count
190: ok 8730 # ring membership passed
190: ok 8731 # correct SSSR count
190: ok 8732 # ring membership passed
190: ok 8733 # correct SSSR count
190: ok 8734 # ring membership passed
190: ok 8735 # correct SSSR count
190: ok 8736 # ring membership passed
190: ok 8737 # correct SSSR count
190: ok 8738 # ring membership passed
190: ok 8739 # correct SSSR count
190: ok 8740 # ring membership passed
190: ok 8741 # correct SSSR count
190: ok 8742 # ring membership passed
190: ok 8743 # correct SSSR count
190: ok 8744 # ring membership passed
190: ok 8745 # correct SSSR count
190: ok 8746 # ring membership passed
190: ok 8747 # correct SSSR count
190: ok 8748 # ring membership passed
190: ok 8749 # correct SSSR count
190: ok 8750 # ring membership passed
190: ok 8751 # correct SSSR count
190: ok 8752 # ring membership passed
190: ok 8753 # correct SSSR count
190: ok 8754 # ring membership passed
190: ok 8755 # correct SSSR count
190: ok 8756 # ring membership passed
190: ok 8757 # correct SSSR count
190: ok 8758 # ring membership passed
190: ok 8759 # correct SSSR count
190: ok 8760 # ring membership passed
190: ok 8761 # correct SSSR count
190: ok 8762 # ring membership passed
190: ok 8763 # correct SSSR count
190: ok 8764 # ring membership passed
190: ok 8765 # correct SSSR count
190: ok 8766 # ring membership passed
190: ok 8767 # correct SSSR count
190: ok 8768 # ring membership passed
190: ok 8769 # correct SSSR count
190: ok 8770 # ring membership passed
190: ok 8771 # correct SSSR count
190: ok 8772 # ring membership passed
190: ok 8773 # correct SSSR count
190: ok 8774 # ring membership passed
190: ok 8775 # correct SSSR count
190: ok 8776 # ring membership passed
190: ok 8777 # correct SSSR count
190: ok 8778 # ring membership passed
190: ok 8779 # correct SSSR count
190: ok 8780 # ring membership passed
190: ok 8781 # correct SSSR count
190: ok 8782 # ring membership passed
190: ok 8783 # correct SSSR count
190: ok 8784 # ring membership passed
190: ok 8785 # correct SSSR count
190: ok 8786 # ring membership passed
190: ok 8787 # correct SSSR count
190: ok 8788 # ring membership passed
190: ok 8789 # correct ring bond data
190: ok 8790 # correct ring bond data
190: ok 8791 # correct ring bond data
190: ok 8792 # correct ring bond data
190: ok 8793 # correct ring bond data
190: ok 8794 # correct ring bond data
190: ok 8795 # correct ring bond data
190: ok 8796 # correct ring bond data
190: ok 8797 # correct ring bond data
190: ok 8798 # correct ring bond data
190: ok 8799 # correct ring bond data
190: ok 8800 # correct ring bond data
190: ok 8801 # correct ring bond data
190: ok 8802 # correct ring bond data
190: ok 8803 # correct ring bond data
190: ok 8804 # correct ring bond data
190: ok 8805 # correct ring bond data
190: ok 8806 # correct ring bond data
190: ok 8807 # correct ring bond data
190: ok 8808 # correct ring bond data
190: ok 8809 # correct ring bond data
190: ok 8810 # correct ring bond data
190: ok 8811 # correct ring bond data
190: ok 8812 # correct ring bond data
190: ok 8813 # correct ring bond data
190: ok 8814 # correct ring bond data
190: ok 8815 # correct ring bond data
190: ok 8816 # correct ring bond data
190: ok 8817 # correct ring bond data
190: ok 8818 # correct ring bond data
190: ok 8819 # correct ring bond data
190: ok 8820 # SSSR size matches reference
190: ok 8821 # correct SSSR count
190: ok 8822 # ring membership passed
190: ok 8823 # correct SSSR count
190: ok 8824 # ring membership passed
190: ok 8825 # correct SSSR count
190: ok 8826 # ring membership passed
190: ok 8827 # correct SSSR count
190: ok 8828 # ring membership passed
190: ok 8829 # correct SSSR count
190: ok 8830 # ring membership passed
190: ok 8831 # correct SSSR count
190: ok 8832 # ring membership passed
190: ok 8833 # correct SSSR count
190: ok 8834 # ring membership passed
190: ok 8835 # correct SSSR count
190: ok 8836 # ring membership passed
190: ok 8837 # correct SSSR count
190: ok 8838 # ring membership passed
190: ok 8839 # correct SSSR count
190: ok 8840 # ring membership passed
190: ok 8841 # correct SSSR count
190: ok 8842 # ring membership passed
190: ok 8843 # correct SSSR count
190: ok 8844 # ring membership passed
190: ok 8845 # correct SSSR count
190: ok 8846 # ring membership passed
190: ok 8847 # correct SSSR count
190: ok 8848 # ring membership passed
190: ok 8849 # correct SSSR count
190: ok 8850 # ring membership passed
190: ok 8851 # correct SSSR count
190: ok 8852 # ring membership passed
190: ok 8853 # correct SSSR count
190: ok 8854 # ring membership passed
190: ok 8855 # correct SSSR count
190: ok 8856 # ring membership passed
190: ok 8857 # correct SSSR count
190: ok 8858 # ring membership passed
190: ok 8859 # correct SSSR count
190: ok 8860 # ring membership passed
190: ok 8861 # correct SSSR count
190: ok 8862 # ring membership passed
190: ok 8863 # correct SSSR count
190: ok 8864 # ring membership passed
190: ok 8865 # correct SSSR count
190: ok 8866 # ring membership passed
190: ok 8867 # correct SSSR count
190: ok 8868 # ring membership passed
190: ok 8869 # correct SSSR count
190: ok 8870 # ring membership passed
190: ok 8871 # correct SSSR count
190: ok 8872 # ring membership passed
190: ok 8873 # correct SSSR count
190: ok 8874 # ring membership passed
190: ok 8875 # correct SSSR count
190: ok 8876 # ring membership passed
190: ok 8877 # correct SSSR count
190: ok 8878 # ring membership passed
190: ok 8879 # correct ring bond data
190: ok 8880 # correct ring bond data
190: ok 8881 # correct ring bond data
190: ok 8882 # correct ring bond data
190: ok 8883 # correct ring bond data
190: ok 8884 # correct ring bond data
190: ok 8885 # correct ring bond data
190: ok 8886 # correct ring bond data
190: ok 8887 # correct ring bond data
190: ok 8888 # SSSR size matches reference
190: ok 8889 # correct SSSR count
190: ok 8890 # ring membership passed
190: ok 8891 # correct SSSR count
190: ok 8892 # ring membership passed
190: ok 8893 # correct SSSR count
190: ok 8894 # ring membership passed
190: ok 8895 # correct SSSR count
190: ok 8896 # ring membership passed
190: ok 8897 # correct SSSR count
190: ok 8898 # ring membership passed
190: ok 8899 # correct SSSR count
190: ok 8900 # ring membership passed
190: ok 8901 # correct SSSR count
190: ok 8902 # ring membership passed
190: ok 8903 # correct SSSR count
190: ok 8904 # ring membership passed
190: ok 8905 # correct SSSR count
190: ok 8906 # ring membership passed
190: ok 8907 # correct ring bond data
190: ok 8908 # correct ring bond data
190: ok 8909 # correct ring bond data
190: ok 8910 # correct ring bond data
190: ok 8911 # correct ring bond data
190: ok 8912 # correct ring bond data
190: ok 8913 # correct ring bond data
190: ok 8914 # correct ring bond data
190: ok 8915 # correct ring bond data
190: ok 8916 # correct ring bond data
190: ok 8917 # correct ring bond data
190: ok 8918 # correct ring bond data
190: ok 8919 # correct ring bond data
190: ok 8920 # correct ring bond data
190: ok 8921 # correct ring bond data
190: ok 8922 # correct ring bond data
190: ok 8923 # correct ring bond data
190: ok 8924 # correct ring bond data
190: ok 8925 # SSSR size matches reference
190: ok 8926 # correct SSSR count
190: ok 8927 # ring membership passed
190: ok 8928 # correct SSSR count
190: ok 8929 # ring membership passed
190: ok 8930 # correct SSSR count
190: ok 8931 # ring membership passed
190: ok 8932 # correct SSSR count
190: ok 8933 # ring membership passed
190: ok 8934 # correct SSSR count
190: ok 8935 # ring membership passed
190: ok 8936 # correct SSSR count
190: ok 8937 # ring membership passed
190: ok 8938 # correct SSSR count
190: ok 8939 # ring membership passed
190: ok 8940 # correct SSSR count
190: ok 8941 # ring membership passed
190: ok 8942 # correct SSSR count
190: ok 8943 # ring membership passed
190: ok 8944 # correct SSSR count
190: ok 8945 # ring membership passed
190: ok 8946 # correct SSSR count
190: ok 8947 # ring membership passed
190: ok 8948 # correct SSSR count
190: ok 8949 # ring membership passed
190: ok 8950 # correct SSSR count
190: ok 8951 # ring membership passed
190: ok 8952 # correct SSSR count
190: ok 8953 # ring membership passed
190: ok 8954 # correct SSSR count
190: ok 8955 # ring membership passed
190: ok 8956 # correct SSSR count
190: ok 8957 # ring membership passed
190: ok 8958 # correct SSSR count
190: ok 8959 # ring membership passed
190: ok 8960 # correct ring bond data
190: ok 8961 # correct ring bond data
190: ok 8962 # correct ring bond data
190: ok 8963 # correct ring bond data
190: ok 8964 # correct ring bond data
190: ok 8965 # correct ring bond data
190: ok 8966 # correct ring bond data
190: ok 8967 # correct ring bond data
190: ok 8968 # correct ring bond data
190: ok 8969 # correct ring bond data
190: ok 8970 # correct ring bond data
190: ok 8971 # correct ring bond data
190: ok 8972 # correct ring bond data
190: ok 8973 # correct ring bond data
190: ok 8974 # SSSR size matches reference
190: ok 8975 # correct SSSR count
190: ok 8976 # ring membership passed
190: ok 8977 # correct SSSR count
190: ok 8978 # ring membership passed
190: ok 8979 # correct SSSR count
190: ok 8980 # ring membership passed
190: ok 8981 # correct SSSR count
190: ok 8982 # ring membership passed
190: ok 8983 # correct SSSR count
190: ok 8984 # ring membership passed
190: ok 8985 # correct SSSR count
190: ok 8986 # ring membership passed
190: ok 8987 # correct SSSR count
190: ok 8988 # ring membership passed
190: ok 8989 # correct SSSR count
190: ok 8990 # ring membership passed
190: ok 8991 # correct SSSR count
190: ok 8992 # ring membership passed
190: ok 8993 # correct SSSR count
190: ok 8994 # ring membership passed
190: ok 8995 # correct SSSR count
190: ok 8996 # ring membership passed
190: ok 8997 # correct SSSR count
190: ok 8998 # ring membership passed
190: ok 8999 # correct SSSR count
190: ok 9000 # ring membership passed
190: ok 9001 # correct ring bond data
190: ok 9002 # correct ring bond data
190: ok 9003 # correct ring bond data
190: ok 9004 # correct ring bond data
190: ok 9005 # correct ring bond data
190: ok 9006 # correct ring bond data
190: ok 9007 # correct ring bond data
190: ok 9008 # correct ring bond data
190: ok 9009 # correct ring bond data
190: ok 9010 # correct ring bond data
190: ok 9011 # correct ring bond data
190: ok 9012 # correct ring bond data
190: ok 9013 # correct ring bond data
190: ok 9014 # correct ring bond data
190: ok 9015 # SSSR size matches reference
190: ok 9016 # correct SSSR count
190: ok 9017 # ring membership passed
190: ok 9018 # correct SSSR count
190: ok 9019 # ring membership passed
190: ok 9020 # correct SSSR count
190: ok 9021 # ring membership passed
190: ok 9022 # correct SSSR count
190: ok 9023 # ring membership passed
190: ok 9024 # correct SSSR count
190: ok 9025 # ring membership passed
190: ok 9026 # correct SSSR count
190: ok 9027 # ring membership passed
190: ok 9028 # correct SSSR count
190: ok 9029 # ring membership passed
190: ok 9030 # correct SSSR count
190: ok 9031 # ring membership passed
190: ok 9032 # correct SSSR count
190: ok 9033 # ring membership passed
190: ok 9034 # correct SSSR count
190: ok 9035 # ring membership passed
190: ok 9036 # correct SSSR count
190: ok 9037 # ring membership passed
190: ok 9038 # correct SSSR count
190: ok 9039 # ring membership passed
190: ok 9040 # correct SSSR count
190: ok 9041 # ring membership passed
190: ok 9042 # correct SSSR count
190: ok 9043 # ring membership passed
190: ok 9044 # correct ring bond data
190: ok 9045 # correct ring bond data
190: ok 9046 # correct ring bond data
190: ok 9047 # correct ring bond data
190: ok 9048 # correct ring bond data
190: ok 9049 # correct ring bond data
190: ok 9050 # correct ring bond data
190: ok 9051 # correct ring bond data
190: ok 9052 # correct ring bond data
190: ok 9053 # correct ring bond data
190: ok 9054 # correct ring bond data
190: ok 9055 # SSSR size matches reference
190: ok 9056 # correct SSSR count
190: ok 9057 # ring membership passed
190: ok 9058 # correct SSSR count
190: ok 9059 # ring membership passed
190: ok 9060 # correct SSSR count
190: ok 9061 # ring membership passed
190: ok 9062 # correct SSSR count
190: ok 9063 # ring membership passed
190: ok 9064 # correct SSSR count
190: ok 9065 # ring membership passed
190: ok 9066 # correct SSSR count
190: ok 9067 # ring membership passed
190: ok 9068 # correct SSSR count
190: ok 9069 # ring membership passed
190: ok 9070 # correct SSSR count
190: ok 9071 # ring membership passed
190: ok 9072 # correct SSSR count
190: ok 9073 # ring membership passed
190: ok 9074 # correct SSSR count
190: ok 9075 # ring membership passed
190: ok 9076 # correct SSSR count
190: ok 9077 # ring membership passed
190: ok 9078 # correct SSSR count
190: ok 9079 # ring membership passed
190: ok 9080 # correct ring bond data
190: ok 9081 # correct ring bond data
190: ok 9082 # correct ring bond data
190: ok 9083 # correct ring bond data
190: ok 9084 # correct ring bond data
190: ok 9085 # correct ring bond data
190: ok 9086 # correct ring bond data
190: ok 9087 # correct ring bond data
190: ok 9088 # correct ring bond data
190: ok 9089 # correct ring bond data
190: ok 9090 # correct ring bond data
190: ok 9091 # correct ring bond data
190: ok 9092 # correct ring bond data
190: ok 9093 # correct ring bond data
190: ok 9094 # correct ring bond data
190: ok 9095 # correct ring bond data
190: ok 9096 # correct ring bond data
190: ok 9097 # correct ring bond data
190: ok 9098 # correct ring bond data
190: ok 9099 # correct ring bond data
190: ok 9100 # correct ring bond data
190: ok 9101 # correct ring bond data
190: ok 9102 # correct ring bond data
190: ok 9103 # correct ring bond data
190: ok 9104 # correct ring bond data
190: ok 9105 # correct ring bond data
190: ok 9106 # correct ring bond data
190: ok 9107 # correct ring bond data
190: ok 9108 # correct ring bond data
190: ok 9109 # SSSR size matches reference
190: ok 9110 # correct SSSR count
190: ok 9111 # ring membership passed
190: ok 9112 # correct SSSR count
190: ok 9113 # ring membership passed
190: ok 9114 # correct SSSR count
190: ok 9115 # ring membership passed
190: ok 9116 # correct SSSR count
190: ok 9117 # ring membership passed
190: ok 9118 # correct SSSR count
190: ok 9119 # ring membership passed
190: ok 9120 # correct SSSR count
190: ok 9121 # ring membership passed
190: ok 9122 # correct SSSR count
190: ok 9123 # ring membership passed
190: ok 9124 # correct SSSR count
190: ok 9125 # ring membership passed
190: ok 9126 # correct SSSR count
190: ok 9127 # ring membership passed
190: ok 9128 # correct SSSR count
190: ok 9129 # ring membership passed
190: ok 9130 # correct SSSR count
190: ok 9131 # ring membership passed
190: ok 9132 # correct SSSR count
190: ok 9133 # ring membership passed
190: ok 9134 # correct SSSR count
190: ok 9135 # ring membership passed
190: ok 9136 # correct SSSR count
190: ok 9137 # ring membership passed
190: ok 9138 # correct SSSR count
190: ok 9139 # ring membership passed
190: ok 9140 # correct SSSR count
190: ok 9141 # ring membership passed
190: ok 9142 # correct SSSR count
190: ok 9143 # ring membership passed
190: ok 9144 # correct SSSR count
190: ok 9145 # ring membership passed
190: ok 9146 # correct SSSR count
190: ok 9147 # ring membership passed
190: ok 9148 # correct SSSR count
190: ok 9149 # ring membership passed
190: ok 9150 # correct SSSR count
190: ok 9151 # ring membership passed
190: ok 9152 # correct SSSR count
190: ok 9153 # ring membership passed
190: ok 9154 # correct SSSR count
190: ok 9155 # ring membership passed
190: ok 9156 # correct SSSR count
190: ok 9157 # ring membership passed
190: ok 9158 # correct SSSR count
190: ok 9159 # ring membership passed
190: ok 9160 # correct SSSR count
190: ok 9161 # ring membership passed
190: ok 9162 # correct SSSR count
190: ok 9163 # ring membership passed
190: ok 9164 # correct SSSR count
190: ok 9165 # ring membership passed
190: ok 9166 # correct ring bond data
190: ok 9167 # correct ring bond data
190: ok 9168 # correct ring bond data
190: ok 9169 # correct ring bond data
190: ok 9170 # correct ring bond data
190: ok 9171 # correct ring bond data
190: ok 9172 # correct ring bond data
190: ok 9173 # correct ring bond data
190: ok 9174 # correct ring bond data
190: ok 9175 # correct ring bond data
190: ok 9176 # correct ring bond data
190: ok 9177 # correct ring bond data
190: ok 9178 # correct ring bond data
190: ok 9179 # correct ring bond data
190: ok 9180 # correct ring bond data
190: ok 9181 # correct ring bond data
190: ok 9182 # correct ring bond data
190: ok 9183 # correct ring bond data
190: ok 9184 # correct ring bond data
190: ok 9185 # correct ring bond data
190: ok 9186 # correct ring bond data
190: ok 9187 # correct ring bond data
190: ok 9188 # correct ring bond data
190: ok 9189 # correct ring bond data
190: ok 9190 # correct ring bond data
190: ok 9191 # correct ring bond data
190: ok 9192 # correct ring bond data
190: ok 9193 # correct ring bond data
190: ok 9194 # correct ring bond data
190: ok 9195 # correct ring bond data
190: ok 9196 # correct ring bond data
190: ok 9197 # SSSR size matches reference
190: ok 9198 # correct SSSR count
190: ok 9199 # ring membership passed
190: ok 9200 # correct SSSR count
190: ok 9201 # ring membership passed
190: ok 9202 # correct SSSR count
190: ok 9203 # ring membership passed
190: ok 9204 # correct SSSR count
190: ok 9205 # ring membership passed
190: ok 9206 # correct SSSR count
190: ok 9207 # ring membership passed
190: ok 9208 # correct SSSR count
190: ok 9209 # ring membership passed
190: ok 9210 # correct SSSR count
190: ok 9211 # ring membership passed
190: ok 9212 # correct SSSR count
190: ok 9213 # ring membership passed
190: ok 9214 # correct SSSR count
190: ok 9215 # ring membership passed
190: ok 9216 # correct SSSR count
190: ok 9217 # ring membership passed
190: ok 9218 # correct SSSR count
190: ok 9219 # ring membership passed
190: ok 9220 # correct SSSR count
190: ok 9221 # ring membership passed
190: ok 9222 # correct SSSR count
190: ok 9223 # ring membership passed
190: ok 9224 # correct SSSR count
190: ok 9225 # ring membership passed
190: ok 9226 # correct SSSR count
190: ok 9227 # ring membership passed
190: ok 9228 # correct SSSR count
190: ok 9229 # ring membership passed
190: ok 9230 # correct SSSR count
190: ok 9231 # ring membership passed
190: ok 9232 # correct SSSR count
190: ok 9233 # ring membership passed
190: ok 9234 # correct SSSR count
190: ok 9235 # ring membership passed
190: ok 9236 # correct SSSR count
190: ok 9237 # ring membership passed
190: ok 9238 # correct SSSR count
190: ok 9239 # ring membership passed
190: ok 9240 # correct SSSR count
190: ok 9241 # ring membership passed
190: ok 9242 # correct SSSR count
190: ok 9243 # ring membership passed
190: ok 9244 # correct SSSR count
190: ok 9245 # ring membership passed
190: ok 9246 # correct SSSR count
190: ok 9247 # ring membership passed
190: ok 9248 # correct SSSR count
190: ok 9249 # ring membership passed
190: ok 9250 # correct SSSR count
190: ok 9251 # ring membership passed
190: ok 9252 # correct SSSR count
190: ok 9253 # ring membership passed
190: ok 9254 # correct ring bond data
190: ok 9255 # correct ring bond data
190: ok 9256 # correct ring bond data
190: ok 9257 # correct ring bond data
190: ok 9258 # correct ring bond data
190: ok 9259 # correct ring bond data
190: ok 9260 # correct ring bond data
190: ok 9261 # correct ring bond data
190: ok 9262 # correct ring bond data
190: ok 9263 # correct ring bond data
190: ok 9264 # correct ring bond data
190: ok 9265 # correct ring bond data
190: ok 9266 # correct ring bond data
190: ok 9267 # correct ring bond data
190: ok 9268 # correct ring bond data
190: ok 9269 # correct ring bond data
190: ok 9270 # correct ring bond data
190: ok 9271 # correct ring bond data
190: ok 9272 # correct ring bond data
190: ok 9273 # SSSR size matches reference
190: ok 9274 # correct SSSR count
190: ok 9275 # ring membership passed
190: ok 9276 # correct SSSR count
190: ok 9277 # ring membership passed
190: ok 9278 # correct SSSR count
190: ok 9279 # ring membership passed
190: ok 9280 # correct SSSR count
190: ok 9281 # ring membership passed
190: ok 9282 # correct SSSR count
190: ok 9283 # ring membership passed
190: ok 9284 # correct SSSR count
190: ok 9285 # ring membership passed
190: ok 9286 # correct SSSR count
190: ok 9287 # ring membership passed
190: ok 9288 # correct SSSR count
190: ok 9289 # ring membership passed
190: ok 9290 # correct SSSR count
190: ok 9291 # ring membership passed
190: ok 9292 # correct SSSR count
190: ok 9293 # ring membership passed
190: ok 9294 # correct SSSR count
190: ok 9295 # ring membership passed
190: ok 9296 # correct SSSR count
190: ok 9297 # ring membership passed
190: ok 9298 # correct SSSR count
190: ok 9299 # ring membership passed
190: ok 9300 # correct SSSR count
190: ok 9301 # ring membership passed
190: ok 9302 # correct SSSR count
190: ok 9303 # ring membership passed
190: ok 9304 # correct SSSR count
190: ok 9305 # ring membership passed
190: ok 9306 # correct SSSR count
190: ok 9307 # ring membership passed
190: ok 9308 # correct SSSR count
190: ok 9309 # ring membership passed
190: ok 9310 # correct SSSR count
190: ok 9311 # ring membership passed
190: ok 9312 # correct ring bond data
190: ok 9313 # correct ring bond data
190: ok 9314 # correct ring bond data
190: ok 9315 # correct ring bond data
190: ok 9316 # correct ring bond data
190: ok 9317 # correct ring bond data
190: ok 9318 # correct ring bond data
190: ok 9319 # correct ring bond data
190: ok 9320 # correct ring bond data
190: ok 9321 # correct ring bond data
190: ok 9322 # correct ring bond data
190: ok 9323 # correct ring bond data
190: ok 9324 # correct ring bond data
190: ok 9325 # correct ring bond data
190: ok 9326 # correct ring bond data
190: ok 9327 # correct ring bond data
190: ok 9328 # correct ring bond data
190: ok 9329 # correct ring bond data
190: ok 9330 # correct ring bond data
190: ok 9331 # correct ring bond data
190: ok 9332 # correct ring bond data
190: ok 9333 # correct ring bond data
190: ok 9334 # correct ring bond data
190: ok 9335 # correct ring bond data
190: ok 9336 # correct ring bond data
190: ok 9337 # SSSR size matches reference
190: ok 9338 # correct SSSR count
190: ok 9339 # ring membership passed
190: ok 9340 # correct SSSR count
190: ok 9341 # ring membership passed
190: ok 9342 # correct SSSR count
190: ok 9343 # ring membership passed
190: ok 9344 # correct SSSR count
190: ok 9345 # ring membership passed
190: ok 9346 # correct SSSR count
190: ok 9347 # ring membership passed
190: ok 9348 # correct SSSR count
190: ok 9349 # ring membership passed
190: ok 9350 # correct SSSR count
190: ok 9351 # ring membership passed
190: ok 9352 # correct SSSR count
190: ok 9353 # ring membership passed
190: ok 9354 # correct SSSR count
190: ok 9355 # ring membership passed
190: ok 9356 # correct SSSR count
190: ok 9357 # ring membership passed
190: ok 9358 # correct SSSR count
190: ok 9359 # ring membership passed
190: ok 9360 # correct SSSR count
190: ok 9361 # ring membership passed
190: ok 9362 # correct SSSR count
190: ok 9363 # ring membership passed
190: ok 9364 # correct SSSR count
190: ok 9365 # ring membership passed
190: ok 9366 # correct SSSR count
190: ok 9367 # ring membership passed
190: ok 9368 # correct SSSR count
190: ok 9369 # ring membership passed
190: ok 9370 # correct SSSR count
190: ok 9371 # ring membership passed
190: ok 9372 # correct SSSR count
190: ok 9373 # ring membership passed
190: ok 9374 # correct SSSR count
190: ok 9375 # ring membership passed
190: ok 9376 # correct SSSR count
190: ok 9377 # ring membership passed
190: ok 9378 # correct SSSR count
190: ok 9379 # ring membership passed
190: ok 9380 # correct SSSR count
190: ok 9381 # ring membership passed
190: ok 9382 # correct ring bond data
190: ok 9383 # correct ring bond data
190: ok 9384 # correct ring bond data
190: ok 9385 # correct ring bond data
190: ok 9386 # correct ring bond data
190: ok 9387 # correct ring bond data
190: ok 9388 # correct ring bond data
190: ok 9389 # correct ring bond data
190: ok 9390 # correct ring bond data
190: ok 9391 # correct ring bond data
190: ok 9392 # correct ring bond data
190: ok 9393 # correct ring bond data
190: ok 9394 # correct ring bond data
190: ok 9395 # correct ring bond data
190: ok 9396 # correct ring bond data
190: ok 9397 # correct ring bond data
190: ok 9398 # correct ring bond data
190: ok 9399 # correct ring bond data
190: ok 9400 # SSSR size matches reference
190: ok 9401 # correct SSSR count
190: ok 9402 # ring membership passed
190: ok 9403 # correct SSSR count
190: ok 9404 # ring membership passed
190: ok 9405 # correct SSSR count
190: ok 9406 # ring membership passed
190: ok 9407 # correct SSSR count
190: ok 9408 # ring membership passed
190: ok 9409 # correct SSSR count
190: ok 9410 # ring membership passed
190: ok 9411 # correct SSSR count
190: ok 9412 # ring membership passed
190: ok 9413 # correct SSSR count
190: ok 9414 # ring membership passed
190: ok 9415 # correct SSSR count
190: ok 9416 # ring membership passed
190: ok 9417 # correct SSSR count
190: ok 9418 # ring membership passed
190: ok 9419 # correct SSSR count
190: ok 9420 # ring membership passed
190: ok 9421 # correct SSSR count
190: ok 9422 # ring membership passed
190: ok 9423 # correct SSSR count
190: ok 9424 # ring membership passed
190: ok 9425 # correct SSSR count
190: ok 9426 # ring membership passed
190: ok 9427 # correct SSSR count
190: ok 9428 # ring membership passed
190: ok 9429 # correct SSSR count
190: ok 9430 # ring membership passed
190: ok 9431 # correct SSSR count
190: ok 9432 # ring membership passed
190: ok 9433 # correct SSSR count
190: ok 9434 # ring membership passed
190: ok 9435 # correct ring bond data
190: ok 9436 # correct ring bond data
190: ok 9437 # correct ring bond data
190: ok 9438 # correct ring bond data
190: ok 9439 # correct ring bond data
190: ok 9440 # correct ring bond data
190: ok 9441 # correct ring bond data
190: ok 9442 # correct ring bond data
190: ok 9443 # correct ring bond data
190: ok 9444 # correct ring bond data
190: ok 9445 # correct ring bond data
190: ok 9446 # correct ring bond data
190: ok 9447 # correct ring bond data
190: ok 9448 # correct ring bond data
190: ok 9449 # correct ring bond data
190: ok 9450 # correct ring bond data
190: ok 9451 # correct ring bond data
190: ok 9452 # correct ring bond data
190: ok 9453 # correct ring bond data
190: ok 9454 # correct ring bond data
190: ok 9455 # correct ring bond data
190: ok 9456 # correct ring bond data
190: ok 9457 # correct ring bond data
190: ok 9458 # correct ring bond data
190: ok 9459 # correct ring bond data
190: ok 9460 # correct ring bond data
190: ok 9461 # correct ring bond data
190: ok 9462 # SSSR size matches reference
190: ok 9463 # correct SSSR count
190: ok 9464 # ring membership passed
190: ok 9465 # correct SSSR count
190: ok 9466 # ring membership passed
190: ok 9467 # correct SSSR count
190: ok 9468 # ring membership passed
190: ok 9469 # correct SSSR count
190: ok 9470 # ring membership passed
190: ok 9471 # correct SSSR count
190: ok 9472 # ring membership passed
190: ok 9473 # correct SSSR count
190: ok 9474 # ring membership passed
190: ok 9475 # correct SSSR count
190: ok 9476 # ring membership passed
190: ok 9477 # correct SSSR count
190: ok 9478 # ring membership passed
190: ok 9479 # correct SSSR count
190: ok 9480 # ring membership passed
190: ok 9481 # correct SSSR count
190: ok 9482 # ring membership passed
190: ok 9483 # correct SSSR count
190: ok 9484 # ring membership passed
190: ok 9485 # correct SSSR count
190: ok 9486 # ring membership passed
190: ok 9487 # correct SSSR count
190: ok 9488 # ring membership passed
190: ok 9489 # correct SSSR count
190: ok 9490 # ring membership passed
190: ok 9491 # correct SSSR count
190: ok 9492 # ring membership passed
190: ok 9493 # correct SSSR count
190: ok 9494 # ring membership passed
190: ok 9495 # correct SSSR count
190: ok 9496 # ring membership passed
190: ok 9497 # correct SSSR count
190: ok 9498 # ring membership passed
190: ok 9499 # correct SSSR count
190: ok 9500 # ring membership passed
190: ok 9501 # correct SSSR count
190: ok 9502 # ring membership passed
190: ok 9503 # correct SSSR count
190: ok 9504 # ring membership passed
190: ok 9505 # correct SSSR count
190: ok 9506 # ring membership passed
190: ok 9507 # correct SSSR count
190: ok 9508 # ring membership passed
190: ok 9509 # correct SSSR count
190: ok 9510 # ring membership passed
190: ok 9511 # correct SSSR count
190: ok 9512 # ring membership passed
190: ok 9513 # correct ring bond data
190: ok 9514 # correct ring bond data
190: ok 9515 # correct ring bond data
190: ok 9516 # correct ring bond data
190: ok 9517 # correct ring bond data
190: ok 9518 # correct ring bond data
190: ok 9519 # correct ring bond data
190: ok 9520 # correct ring bond data
190: ok 9521 # correct ring bond data
190: ok 9522 # correct ring bond data
190: ok 9523 # correct ring bond data
190: ok 9524 # correct ring bond data
190: ok 9525 # correct ring bond data
190: ok 9526 # correct ring bond data
190: ok 9527 # correct ring bond data
190: ok 9528 # correct ring bond data
190: ok 9529 # correct ring bond data
190: ok 9530 # correct ring bond data
190: ok 9531 # correct ring bond data
190: ok 9532 # correct ring bond data
190: ok 9533 # correct ring bond data
190: ok 9534 # correct ring bond data
190: ok 9535 # correct ring bond data
190: ok 9536 # correct ring bond data
190: ok 9537 # SSSR size matches reference
190: ok 9538 # correct SSSR count
190: ok 9539 # ring membership passed
190: ok 9540 # correct SSSR count
190: ok 9541 # ring membership passed
190: ok 9542 # correct SSSR count
190: ok 9543 # ring membership passed
190: ok 9544 # correct SSSR count
190: ok 9545 # ring membership passed
190: ok 9546 # correct SSSR count
190: ok 9547 # ring membership passed
190: ok 9548 # correct SSSR count
190: ok 9549 # ring membership passed
190: ok 9550 # correct SSSR count
190: ok 9551 # ring membership passed
190: ok 9552 # correct SSSR count
190: ok 9553 # ring membership passed
190: ok 9554 # correct SSSR count
190: ok 9555 # ring membership passed
190: ok 9556 # correct SSSR count
190: ok 9557 # ring membership passed
190: ok 9558 # correct SSSR count
190: ok 9559 # ring membership passed
190: ok 9560 # correct SSSR count
190: ok 9561 # ring membership passed
190: ok 9562 # correct SSSR count
190: ok 9563 # ring membership passed
190: ok 9564 # correct SSSR count
190: ok 9565 # ring membership passed
190: ok 9566 # correct SSSR count
190: ok 9567 # ring membership passed
190: ok 9568 # correct SSSR count
190: ok 9569 # ring membership passed
190: ok 9570 # correct SSSR count
190: ok 9571 # ring membership passed
190: ok 9572 # correct SSSR count
190: ok 9573 # ring membership passed
190: ok 9574 # correct SSSR count
190: ok 9575 # ring membership passed
190: ok 9576 # correct SSSR count
190: ok 9577 # ring membership passed
190: ok 9578 # correct SSSR count
190: ok 9579 # ring membership passed
190: ok 9580 # correct SSSR count
190: ok 9581 # ring membership passed
190: ok 9582 # correct SSSR count
190: ok 9583 # ring membership passed
190: ok 9584 # correct ring bond data
190: ok 9585 # correct ring bond data
190: ok 9586 # correct ring bond data
190: ok 9587 # correct ring bond data
190: ok 9588 # correct ring bond data
190: ok 9589 # correct ring bond data
190: ok 9590 # correct ring bond data
190: ok 9591 # correct ring bond data
190: ok 9592 # correct ring bond data
190: ok 9593 # correct ring bond data
190: ok 9594 # correct ring bond data
190: ok 9595 # correct ring bond data
190: ok 9596 # correct ring bond data
190: ok 9597 # correct ring bond data
190: ok 9598 # correct ring bond data
190: ok 9599 # correct ring bond data
190: ok 9600 # correct ring bond data
190: ok 9601 # correct ring bond data
190: ok 9602 # correct ring bond data
190: ok 9603 # correct ring bond data
190: ok 9604 # correct ring bond data
190: ok 9605 # correct ring bond data
190: ok 9606 # correct ring bond data
190: ok 9607 # correct ring bond data
190: ok 9608 # SSSR size matches reference
190: ok 9609 # correct SSSR count
190: ok 9610 # ring membership passed
190: ok 9611 # correct SSSR count
190: ok 9612 # ring membership passed
190: ok 9613 # correct SSSR count
190: ok 9614 # ring membership passed
190: ok 9615 # correct SSSR count
190: ok 9616 # ring membership passed
190: ok 9617 # correct SSSR count
190: ok 9618 # ring membership passed
190: ok 9619 # correct SSSR count
190: ok 9620 # ring membership passed
190: ok 9621 # correct SSSR count
190: ok 9622 # ring membership passed
190: ok 9623 # correct SSSR count
190: ok 9624 # ring membership passed
190: ok 9625 # correct SSSR count
190: ok 9626 # ring membership passed
190: ok 9627 # correct SSSR count
190: ok 9628 # ring membership passed
190: ok 9629 # correct SSSR count
190: ok 9630 # ring membership passed
190: ok 9631 # correct SSSR count
190: ok 9632 # ring membership passed
190: ok 9633 # correct SSSR count
190: ok 9634 # ring membership passed
190: ok 9635 # correct SSSR count
190: ok 9636 # ring membership passed
190: ok 9637 # correct SSSR count
190: ok 9638 # ring membership passed
190: ok 9639 # correct SSSR count
190: ok 9640 # ring membership passed
190: ok 9641 # correct SSSR count
190: ok 9642 # ring membership passed
190: ok 9643 # correct SSSR count
190: ok 9644 # ring membership passed
190: ok 9645 # correct SSSR count
190: ok 9646 # ring membership passed
190: ok 9647 # correct SSSR count
190: ok 9648 # ring membership passed
190: ok 9649 # correct SSSR count
190: ok 9650 # ring membership passed
190: ok 9651 # correct SSSR count
190: ok 9652 # ring membership passed
190: ok 9653 # correct ring bond data
190: ok 9654 # correct ring bond data
190: ok 9655 # correct ring bond data
190: ok 9656 # correct ring bond data
190: ok 9657 # correct ring bond data
190: ok 9658 # correct ring bond data
190: ok 9659 # correct ring bond data
190: ok 9660 # correct ring bond data
190: ok 9661 # correct ring bond data
190: ok 9662 # correct ring bond data
190: ok 9663 # correct ring bond data
190: ok 9664 # correct ring bond data
190: ok 9665 # correct ring bond data
190: ok 9666 # correct ring bond data
190: ok 9667 # correct ring bond data
190: ok 9668 # correct ring bond data
190: ok 9669 # correct ring bond data
190: ok 9670 # correct ring bond data
190: ok 9671 # correct ring bond data
190: ok 9672 # correct ring bond data
190: ok 9673 # correct ring bond data
190: ok 9674 # correct ring bond data
190: ok 9675 # correct ring bond data
190: ok 9676 # correct ring bond data
190: ok 9677 # correct ring bond data
190: ok 9678 # correct ring bond data
190: ok 9679 # correct ring bond data
190: ok 9680 # correct ring bond data
190: ok 9681 # correct ring bond data
190: ok 9682 # SSSR size matches reference
190: ok 9683 # correct SSSR count
190: ok 9684 # ring membership passed
190: ok 9685 # correct SSSR count
190: ok 9686 # ring membership passed
190: ok 9687 # correct SSSR count
190: ok 9688 # ring membership passed
190: ok 9689 # correct SSSR count
190: ok 9690 # ring membership passed
190: ok 9691 # correct SSSR count
190: ok 9692 # ring membership passed
190: ok 9693 # correct SSSR count
190: ok 9694 # ring membership passed
190: ok 9695 # correct SSSR count
190: ok 9696 # ring membership passed
190: ok 9697 # correct SSSR count
190: ok 9698 # ring membership passed
190: ok 9699 # correct SSSR count
190: ok 9700 # ring membership passed
190: ok 9701 # correct SSSR count
190: ok 9702 # ring membership passed
190: ok 9703 # correct SSSR count
190: ok 9704 # ring membership passed
190: ok 9705 # correct SSSR count
190: ok 9706 # ring membership passed
190: ok 9707 # correct SSSR count
190: ok 9708 # ring membership passed
190: ok 9709 # correct SSSR count
190: ok 9710 # ring membership passed
190: ok 9711 # correct SSSR count
190: ok 9712 # ring membership passed
190: ok 9713 # correct SSSR count
190: ok 9714 # ring membership passed
190: ok 9715 # correct SSSR count
190: ok 9716 # ring membership passed
190: ok 9717 # correct SSSR count
190: ok 9718 # ring membership passed
190: ok 9719 # correct SSSR count
190: ok 9720 # ring membership passed
190: ok 9721 # correct SSSR count
190: ok 9722 # ring membership passed
190: ok 9723 # correct SSSR count
190: ok 9724 # ring membership passed
190: ok 9725 # correct SSSR count
190: ok 9726 # ring membership passed
190: ok 9727 # correct SSSR count
190: ok 9728 # ring membership passed
190: ok 9729 # correct SSSR count
190: ok 9730 # ring membership passed
190: ok 9731 # correct SSSR count
190: ok 9732 # ring membership passed
190: ok 9733 # correct SSSR count
190: ok 9734 # ring membership passed
190: ok 9735 # correct SSSR count
190: ok 9736 # ring membership passed
190: ok 9737 # correct ring bond data
190: ok 9738 # correct ring bond data
190: ok 9739 # correct ring bond data
190: ok 9740 # correct ring bond data
190: ok 9741 # correct ring bond data
190: ok 9742 # correct ring bond data
190: ok 9743 # correct ring bond data
190: ok 9744 # correct ring bond data
190: ok 9745 # correct ring bond data
190: ok 9746 # correct ring bond data
190: ok 9747 # correct ring bond data
190: ok 9748 # correct ring bond data
190: ok 9749 # correct ring bond data
190: ok 9750 # correct ring bond data
190: ok 9751 # correct ring bond data
190: ok 9752 # correct ring bond data
190: ok 9753 # correct ring bond data
190: ok 9754 # correct ring bond data
190: ok 9755 # correct ring bond data
190: ok 9756 # correct ring bond data
190: ok 9757 # correct ring bond data
190: ok 9758 # correct ring bond data
190: ok 9759 # correct ring bond data
190: ok 9760 # correct ring bond data
190: ok 9761 # correct ring bond data
190: ok 9762 # correct ring bond data
190: ok 9763 # correct ring bond data
190: ok 9764 # correct ring bond data
190: ok 9765 # correct ring bond data
190: ok 9766 # SSSR size matches reference
190: ok 9767 # correct SSSR count
190: ok 9768 # ring membership passed
190: ok 9769 # correct SSSR count
190: ok 9770 # ring membership passed
190: ok 9771 # correct SSSR count
190: ok 9772 # ring membership passed
190: ok 9773 # correct SSSR count
190: ok 9774 # ring membership passed
190: ok 9775 # correct SSSR count
190: ok 9776 # ring membership passed
190: ok 9777 # correct SSSR count
190: ok 9778 # ring membership passed
190: ok 9779 # correct SSSR count
190: ok 9780 # ring membership passed
190: ok 9781 # correct SSSR count
190: ok 9782 # ring membership passed
190: ok 9783 # correct SSSR count
190: ok 9784 # ring membership passed
190: ok 9785 # correct SSSR count
190: ok 9786 # ring membership passed
190: ok 9787 # correct SSSR count
190: ok 9788 # ring membership passed
190: ok 9789 # correct SSSR count
190: ok 9790 # ring membership passed
190: ok 9791 # correct SSSR count
190: ok 9792 # ring membership passed
190: ok 9793 # correct SSSR count
190: ok 9794 # ring membership passed
190: ok 9795 # correct SSSR count
190: ok 9796 # ring membership passed
190: ok 9797 # correct SSSR count
190: ok 9798 # ring membership passed
190: ok 9799 # correct SSSR count
190: ok 9800 # ring membership passed
190: ok 9801 # correct SSSR count
190: ok 9802 # ring membership passed
190: ok 9803 # correct SSSR count
190: ok 9804 # ring membership passed
190: ok 9805 # correct SSSR count
190: ok 9806 # ring membership passed
190: ok 9807 # correct SSSR count
190: ok 9808 # ring membership passed
190: ok 9809 # correct SSSR count
190: ok 9810 # ring membership passed
190: ok 9811 # correct SSSR count
190: ok 9812 # ring membership passed
190: ok 9813 # correct SSSR count
190: ok 9814 # ring membership passed
190: ok 9815 # correct SSSR count
190: ok 9816 # ring membership passed
190: ok 9817 # correct SSSR count
190: ok 9818 # ring membership passed
190: ok 9819 # correct SSSR count
190: ok 9820 # ring membership passed
190: ok 9821 # correct ring bond data
190: ok 9822 # correct ring bond data
190: ok 9823 # correct ring bond data
190: ok 9824 # correct ring bond data
190: ok 9825 # correct ring bond data
190: ok 9826 # correct ring bond data
190: ok 9827 # correct ring bond data
190: ok 9828 # correct ring bond data
190: ok 9829 # correct ring bond data
190: ok 9830 # correct ring bond data
190: ok 9831 # correct ring bond data
190: ok 9832 # correct ring bond data
190: ok 9833 # correct ring bond data
190: ok 9834 # correct ring bond data
190: ok 9835 # correct ring bond data
190: ok 9836 # correct ring bond data
190: ok 9837 # correct ring bond data
190: ok 9838 # SSSR size matches reference
190: ok 9839 # correct SSSR count
190: ok 9840 # ring membership passed
190: ok 9841 # correct SSSR count
190: ok 9842 # ring membership passed
190: ok 9843 # correct SSSR count
190: ok 9844 # ring membership passed
190: ok 9845 # correct SSSR count
190: ok 9846 # ring membership passed
190: ok 9847 # correct SSSR count
190: ok 9848 # ring membership passed
190: ok 9849 # correct SSSR count
190: ok 9850 # ring membership passed
190: ok 9851 # correct SSSR count
190: ok 9852 # ring membership passed
190: ok 9853 # correct SSSR count
190: ok 9854 # ring membership passed
190: ok 9855 # correct SSSR count
190: ok 9856 # ring membership passed
190: ok 9857 # correct SSSR count
190: ok 9858 # ring membership passed
190: ok 9859 # correct SSSR count
190: ok 9860 # ring membership passed
190: ok 9861 # correct SSSR count
190: ok 9862 # ring membership passed
190: ok 9863 # correct SSSR count
190: ok 9864 # ring membership passed
190: ok 9865 # correct SSSR count
190: ok 9866 # ring membership passed
190: ok 9867 # correct SSSR count
190: ok 9868 # ring membership passed
190: ok 9869 # correct SSSR count
190: ok 9870 # ring membership passed
190: ok 9871 # correct ring bond data
190: ok 9872 # correct ring bond data
190: ok 9873 # correct ring bond data
190: ok 9874 # correct ring bond data
190: ok 9875 # correct ring bond data
190: ok 9876 # correct ring bond data
190: ok 9877 # correct ring bond data
190: ok 9878 # correct ring bond data
190: ok 9879 # correct ring bond data
190: ok 9880 # correct ring bond data
190: ok 9881 # correct ring bond data
190: ok 9882 # correct ring bond data
190: ok 9883 # correct ring bond data
190: ok 9884 # correct ring bond data
190: ok 9885 # correct ring bond data
190: ok 9886 # correct ring bond data
190: ok 9887 # correct ring bond data
190: ok 9888 # correct ring bond data
190: ok 9889 # SSSR size matches reference
190: ok 9890 # correct SSSR count
190: ok 9891 # ring membership passed
190: ok 9892 # correct SSSR count
190: ok 9893 # ring membership passed
190: ok 9894 # correct SSSR count
190: ok 9895 # ring membership passed
190: ok 9896 # correct SSSR count
190: ok 9897 # ring membership passed
190: ok 9898 # correct SSSR count
190: ok 9899 # ring membership passed
190: ok 9900 # correct SSSR count
190: ok 9901 # ring membership passed
190: ok 9902 # correct SSSR count
190: ok 9903 # ring membership passed
190: ok 9904 # correct SSSR count
190: ok 9905 # ring membership passed
190: ok 9906 # correct SSSR count
190: ok 9907 # ring membership passed
190: ok 9908 # correct SSSR count
190: ok 9909 # ring membership passed
190: ok 9910 # correct SSSR count
190: ok 9911 # ring membership passed
190: ok 9912 # correct SSSR count
190: ok 9913 # ring membership passed
190: ok 9914 # correct SSSR count
190: ok 9915 # ring membership passed
190: ok 9916 # correct SSSR count
190: ok 9917 # ring membership passed
190: ok 9918 # correct SSSR count
190: ok 9919 # ring membership passed
190: ok 9920 # correct SSSR count
190: ok 9921 # ring membership passed
190: ok 9922 # correct SSSR count
190: ok 9923 # ring membership passed
190: ok 9924 # correct SSSR count
190: ok 9925 # ring membership passed
190: ok 9926 # correct ring bond data
190: ok 9927 # correct ring bond data
190: ok 9928 # correct ring bond data
190: ok 9929 # correct ring bond data
190: ok 9930 # correct ring bond data
190: ok 9931 # correct ring bond data
190: ok 9932 # correct ring bond data
190: ok 9933 # correct ring bond data
190: ok 9934 # correct ring bond data
190: ok 9935 # correct ring bond data
190: ok 9936 # correct ring bond data
190: ok 9937 # correct ring bond data
190: ok 9938 # correct ring bond data
190: ok 9939 # correct ring bond data
190: ok 9940 # correct ring bond data
190: ok 9941 # correct ring bond data
190: ok 9942 # correct ring bond data
190: ok 9943 # correct ring bond data
190: ok 9944 # SSSR size matches reference
190: ok 9945 # correct SSSR count
190: ok 9946 # ring membership passed
190: ok 9947 # correct SSSR count
190: ok 9948 # ring membership passed
190: ok 9949 # correct SSSR count
190: ok 9950 # ring membership passed
190: ok 9951 # correct SSSR count
190: ok 9952 # ring membership passed
190: ok 9953 # correct SSSR count
190: ok 9954 # ring membership passed
190: ok 9955 # correct SSSR count
190: ok 9956 # ring membership passed
190: ok 9957 # correct SSSR count
190: ok 9958 # ring membership passed
190: ok 9959 # correct SSSR count
190: ok 9960 # ring membership passed
190: ok 9961 # correct SSSR count
190: ok 9962 # ring membership passed
190: ok 9963 # correct SSSR count
190: ok 9964 # ring membership passed
190: ok 9965 # correct SSSR count
190: ok 9966 # ring membership passed
190: ok 9967 # correct SSSR count
190: ok 9968 # ring membership passed
190: ok 9969 # correct SSSR count
190: ok 9970 # ring membership passed
190: ok 9971 # correct SSSR count
190: ok 9972 # ring membership passed
190: ok 9973 # correct SSSR count
190: ok 9974 # ring membership passed
190: ok 9975 # correct SSSR count
190: ok 9976 # ring membership passed
190: ok 9977 # correct SSSR count
190: ok 9978 # ring membership passed
190: ok 9979 # correct SSSR count
190: ok 9980 # ring membership passed
190: ok 9981 # correct ring bond data
190: ok 9982 # correct ring bond data
190: ok 9983 # correct ring bond data
190: ok 9984 # correct ring bond data
190: ok 9985 # correct ring bond data
190: ok 9986 # correct ring bond data
190: ok 9987 # correct ring bond data
190: ok 9988 # correct ring bond data
190: ok 9989 # correct ring bond data
190: ok 9990 # correct ring bond data
190: ok 9991 # correct ring bond data
190: ok 9992 # correct ring bond data
190: ok 9993 # correct ring bond data
190: ok 9994 # correct ring bond data
190: ok 9995 # correct ring bond data
190: ok 9996 # correct ring bond data
190: ok 9997 # correct ring bond data
190: ok 9998 # correct ring bond data
190: ok 9999 # SSSR size matches reference
190: ok 10000 # correct SSSR count
190: ok 10001 # ring membership passed
190: ok 10002 # correct SSSR count
190: ok 10003 # ring membership passed
190: ok 10004 # correct SSSR count
190: ok 10005 # ring membership passed
190: ok 10006 # correct SSSR count
190: ok 10007 # ring membership passed
190: ok 10008 # correct SSSR count
190: ok 10009 # ring membership passed
190: ok 10010 # correct SSSR count
190: ok 10011 # ring membership passed
190: ok 10012 # correct SSSR count
190: ok 10013 # ring membership passed
190: ok 10014 # correct SSSR count
190: ok 10015 # ring membership passed
190: ok 10016 # correct SSSR count
190: ok 10017 # ring membership passed
190: ok 10018 # correct SSSR count
190: ok 10019 # ring membership passed
190: ok 10020 # correct SSSR count
190: ok 10021 # ring membership passed
190: ok 10022 # correct SSSR count
190: ok 10023 # ring membership passed
190: ok 10024 # correct SSSR count
190: ok 10025 # ring membership passed
190: ok 10026 # correct SSSR count
190: ok 10027 # ring membership passed
190: ok 10028 # correct SSSR count
190: ok 10029 # ring membership passed
190: ok 10030 # correct SSSR count
190: ok 10031 # ring membership passed
190: ok 10032 # correct SSSR count
190: ok 10033 # ring membership passed
190: ok 10034 # correct SSSR count
190: ok 10035 # ring membership passed
190: ok 10036 # correct ring bond data
190: ok 10037 # correct ring bond data
190: ok 10038 # correct ring bond data
190: ok 10039 # correct ring bond data
190: ok 10040 # correct ring bond data
190: ok 10041 # correct ring bond data
190: ok 10042 # correct ring bond data
190: ok 10043 # correct ring bond data
190: ok 10044 # correct ring bond data
190: ok 10045 # correct ring bond data
190: ok 10046 # correct ring bond data
190: ok 10047 # correct ring bond data
190: ok 10048 # correct ring bond data
190: ok 10049 # correct ring bond data
190: ok 10050 # correct ring bond data
190: ok 10051 # correct ring bond data
190: ok 10052 # correct ring bond data
190: ok 10053 # correct ring bond data
190: ok 10054 # correct ring bond data
190: ok 10055 # correct ring bond data
190: ok 10056 # correct ring bond data
190: ok 10057 # correct ring bond data
190: ok 10058 # correct ring bond data
190: ok 10059 # correct ring bond data
190: ok 10060 # correct ring bond data
190: ok 10061 # correct ring bond data
190: ok 10062 # correct ring bond data
190: ok 10063 # correct ring bond data
190: ok 10064 # correct ring bond data
190: ok 10065 # correct ring bond data
190: ok 10066 # correct ring bond data
190: ok 10067 # SSSR size matches reference
190: ok 10068 # correct SSSR count
190: ok 10069 # ring membership passed
190: ok 10070 # correct SSSR count
190: ok 10071 # ring membership passed
190: ok 10072 # correct SSSR count
190: ok 10073 # ring membership passed
190: ok 10074 # correct SSSR count
190: ok 10075 # ring membership passed
190: ok 10076 # correct SSSR count
190: ok 10077 # ring membership passed
190: ok 10078 # correct SSSR count
190: ok 10079 # ring membership passed
190: ok 10080 # correct SSSR count
190: ok 10081 # ring membership passed
190: ok 10082 # correct SSSR count
190: ok 10083 # ring membership passed
190: ok 10084 # correct SSSR count
190: ok 10085 # ring membership passed
190: ok 10086 # correct SSSR count
190: ok 10087 # ring membership passed
190: ok 10088 # correct SSSR count
190: ok 10089 # ring membership passed
190: ok 10090 # correct SSSR count
190: ok 10091 # ring membership passed
190: ok 10092 # correct SSSR count
190: ok 10093 # ring membership passed
190: ok 10094 # correct SSSR count
190: ok 10095 # ring membership passed
190: ok 10096 # correct SSSR count
190: ok 10097 # ring membership passed
190: ok 10098 # correct SSSR count
190: ok 10099 # ring membership passed
190: ok 10100 # correct SSSR count
190: ok 10101 # ring membership passed
190: ok 10102 # correct SSSR count
190: ok 10103 # ring membership passed
190: ok 10104 # correct SSSR count
190: ok 10105 # ring membership passed
190: ok 10106 # correct SSSR count
190: ok 10107 # ring membership passed
190: ok 10108 # correct SSSR count
190: ok 10109 # ring membership passed
190: ok 10110 # correct SSSR count
190: ok 10111 # ring membership passed
190: ok 10112 # correct SSSR count
190: ok 10113 # ring membership passed
190: ok 10114 # correct SSSR count
190: ok 10115 # ring membership passed
190: ok 10116 # correct SSSR count
190: ok 10117 # ring membership passed
190: ok 10118 # correct SSSR count
190: ok 10119 # ring membership passed
190: ok 10120 # correct SSSR count
190: ok 10121 # ring membership passed
190: ok 10122 # correct SSSR count
190: ok 10123 # ring membership passed
190: ok 10124 # correct ring bond data
190: ok 10125 # correct ring bond data
190: ok 10126 # correct ring bond data
190: ok 10127 # correct ring bond data
190: ok 10128 # correct ring bond data
190: ok 10129 # correct ring bond data
190: ok 10130 # correct ring bond data
190: ok 10131 # correct ring bond data
190: ok 10132 # correct ring bond data
190: ok 10133 # correct ring bond data
190: ok 10134 # SSSR size matches reference
190: ok 10135 # correct SSSR count
190: ok 10136 # ring membership passed
190: ok 10137 # correct SSSR count
190: ok 10138 # ring membership passed
190: ok 10139 # correct SSSR count
190: ok 10140 # ring membership passed
190: ok 10141 # correct SSSR count
190: ok 10142 # ring membership passed
190: ok 10143 # correct SSSR count
190: ok 10144 # ring membership passed
190: ok 10145 # correct SSSR count
190: ok 10146 # ring membership passed
190: ok 10147 # correct SSSR count
190: ok 10148 # ring membership passed
190: ok 10149 # correct SSSR count
190: ok 10150 # ring membership passed
190: ok 10151 # correct SSSR count
190: ok 10152 # ring membership passed
190: ok 10153 # correct SSSR count
190: ok 10154 # ring membership passed
190: ok 10155 # correct ring bond data
190: ok 10156 # correct ring bond data
190: ok 10157 # correct ring bond data
190: ok 10158 # correct ring bond data
190: ok 10159 # correct ring bond data
190: ok 10160 # correct ring bond data
190: ok 10161 # correct ring bond data
190: ok 10162 # correct ring bond data
190: ok 10163 # correct ring bond data
190: ok 10164 # correct ring bond data
190: ok 10165 # correct ring bond data
190: ok 10166 # correct ring bond data
190: ok 10167 # correct ring bond data
190: ok 10168 # correct ring bond data
190: ok 10169 # correct ring bond data
190: ok 10170 # correct ring bond data
190: ok 10171 # correct ring bond data
190: ok 10172 # correct ring bond data
190: ok 10173 # correct ring bond data
190: ok 10174 # correct ring bond data
190: ok 10175 # SSSR size matches reference
190: ok 10176 # correct SSSR count
190: ok 10177 # ring membership passed
190: ok 10178 # correct SSSR count
190: ok 10179 # ring membership passed
190: ok 10180 # correct SSSR count
190: ok 10181 # ring membership passed
190: ok 10182 # correct SSSR count
190: ok 10183 # ring membership passed
190: ok 10184 # correct SSSR count
190: ok 10185 # ring membership passed
190: ok 10186 # correct SSSR count
190: ok 10187 # ring membership passed
190: ok 10188 # correct SSSR count
190: ok 10189 # ring membership passed
190: ok 10190 # correct SSSR count
190: ok 10191 # ring membership passed
190: ok 10192 # correct SSSR count
190: ok 10193 # ring membership passed
190: ok 10194 # correct SSSR count
190: ok 10195 # ring membership passed
190: ok 10196 # correct SSSR count
190: ok 10197 # ring membership passed
190: ok 10198 # correct SSSR count
190: ok 10199 # ring membership passed
190: ok 10200 # correct SSSR count
190: ok 10201 # ring membership passed
190: ok 10202 # correct SSSR count
190: ok 10203 # ring membership passed
190: ok 10204 # correct SSSR count
190: ok 10205 # ring membership passed
190: ok 10206 # correct SSSR count
190: ok 10207 # ring membership passed
190: ok 10208 # correct SSSR count
190: ok 10209 # ring membership passed
190: ok 10210 # correct SSSR count
190: ok 10211 # ring membership passed
190: ok 10212 # correct SSSR count
190: ok 10213 # ring membership passed
190: ok 10214 # correct SSSR count
190: ok 10215 # ring membership passed
190: ok 10216 # correct ring bond data
190: ok 10217 # correct ring bond data
190: ok 10218 # correct ring bond data
190: ok 10219 # correct ring bond data
190: ok 10220 # correct ring bond data
190: ok 10221 # correct ring bond data
190: ok 10222 # correct ring bond data
190: ok 10223 # correct ring bond data
190: ok 10224 # correct ring bond data
190: ok 10225 # correct ring bond data
190: ok 10226 # correct ring bond data
190: ok 10227 # correct ring bond data
190: ok 10228 # correct ring bond data
190: ok 10229 # correct ring bond data
190: ok 10230 # correct ring bond data
190: ok 10231 # correct ring bond data
190: ok 10232 # correct ring bond data
190: ok 10233 # correct ring bond data
190: ok 10234 # correct ring bond data
190: ok 10235 # correct ring bond data
190: ok 10236 # correct ring bond data
190: ok 10237 # correct ring bond data
190: ok 10238 # correct ring bond data
190: ok 10239 # correct ring bond data
190: ok 10240 # correct ring bond data
190: ok 10241 # correct ring bond data
190: ok 10242 # correct ring bond data
190: ok 10243 # correct ring bond data
190: ok 10244 # correct ring bond data
190: ok 10245 # SSSR size matches reference
190: ok 10246 # correct SSSR count
190: ok 10247 # ring membership passed
190: ok 10248 # correct SSSR count
190: ok 10249 # ring membership passed
190: ok 10250 # correct SSSR count
190: ok 10251 # ring membership passed
190: ok 10252 # correct SSSR count
190: ok 10253 # ring membership passed
190: ok 10254 # correct SSSR count
190: ok 10255 # ring membership passed
190: ok 10256 # correct SSSR count
190: ok 10257 # ring membership passed
190: ok 10258 # correct SSSR count
190: ok 10259 # ring membership passed
190: ok 10260 # correct SSSR count
190: ok 10261 # ring membership passed
190: ok 10262 # correct SSSR count
190: ok 10263 # ring membership passed
190: ok 10264 # correct SSSR count
190: ok 10265 # ring membership passed
190: ok 10266 # correct SSSR count
190: ok 10267 # ring membership passed
190: ok 10268 # correct SSSR count
190: ok 10269 # ring membership passed
190: ok 10270 # correct SSSR count
190: ok 10271 # ring membership passed
190: ok 10272 # correct SSSR count
190: ok 10273 # ring membership passed
190: ok 10274 # correct SSSR count
190: ok 10275 # ring membership passed
190: ok 10276 # correct SSSR count
190: ok 10277 # ring membership passed
190: ok 10278 # correct SSSR count
190: ok 10279 # ring membership passed
190: ok 10280 # correct SSSR count
190: ok 10281 # ring membership passed
190: ok 10282 # correct SSSR count
190: ok 10283 # ring membership passed
190: ok 10284 # correct SSSR count
190: ok 10285 # ring membership passed
190: ok 10286 # correct SSSR count
190: ok 10287 # ring membership passed
190: ok 10288 # correct SSSR count
190: ok 10289 # ring membership passed
190: ok 10290 # correct SSSR count
190: ok 10291 # ring membership passed
190: ok 10292 # correct SSSR count
190: ok 10293 # ring membership passed
190: ok 10294 # correct SSSR count
190: ok 10295 # ring membership passed
190: ok 10296 # correct SSSR count
190: ok 10297 # ring membership passed
190: ok 10298 # correct ring bond data
190: ok 10299 # correct ring bond data
190: ok 10300 # correct ring bond data
190: ok 10301 # correct ring bond data
190: ok 10302 # correct ring bond data
190: ok 10303 # correct ring bond data
190: ok 10304 # correct ring bond data
190: ok 10305 # correct ring bond data
190: ok 10306 # correct ring bond data
190: ok 10307 # correct ring bond data
190: ok 10308 # correct ring bond data
190: ok 10309 # correct ring bond data
190: ok 10310 # correct ring bond data
190: ok 10311 # correct ring bond data
190: ok 10312 # correct ring bond data
190: ok 10313 # correct ring bond data
190: ok 10314 # SSSR size matches reference
190: ok 10315 # correct SSSR count
190: ok 10316 # ring membership passed
190: ok 10317 # correct SSSR count
190: ok 10318 # ring membership passed
190: ok 10319 # correct SSSR count
190: ok 10320 # ring membership passed
190: ok 10321 # correct SSSR count
190: ok 10322 # ring membership passed
190: ok 10323 # correct SSSR count
190: ok 10324 # ring membership passed
190: ok 10325 # correct SSSR count
190: ok 10326 # ring membership passed
190: ok 10327 # correct SSSR count
190: ok 10328 # ring membership passed
190: ok 10329 # correct SSSR count
190: ok 10330 # ring membership passed
190: ok 10331 # correct SSSR count
190: ok 10332 # ring membership passed
190: ok 10333 # correct SSSR count
190: ok 10334 # ring membership passed
190: ok 10335 # correct SSSR count
190: ok 10336 # ring membership passed
190: ok 10337 # correct SSSR count
190: ok 10338 # ring membership passed
190: ok 10339 # correct SSSR count
190: ok 10340 # ring membership passed
190: ok 10341 # correct SSSR count
190: ok 10342 # ring membership passed
190: ok 10343 # correct SSSR count
190: ok 10344 # ring membership passed
190: ok 10345 # correct ring bond data
190: ok 10346 # correct ring bond data
190: ok 10347 # correct ring bond data
190: ok 10348 # correct ring bond data
190: ok 10349 # correct ring bond data
190: ok 10350 # correct ring bond data
190: ok 10351 # correct ring bond data
190: ok 10352 # correct ring bond data
190: ok 10353 # correct ring bond data
190: ok 10354 # correct ring bond data
190: ok 10355 # correct ring bond data
190: ok 10356 # correct ring bond data
190: ok 10357 # correct ring bond data
190: ok 10358 # correct ring bond data
190: ok 10359 # correct ring bond data
190: ok 10360 # correct ring bond data
190: ok 10361 # correct ring bond data
190: ok 10362 # correct ring bond data
190: ok 10363 # correct ring bond data
190: ok 10364 # correct ring bond data
190: ok 10365 # correct ring bond data
190: ok 10366 # SSSR size matches reference
190: ok 10367 # correct SSSR count
190: ok 10368 # ring membership passed
190: ok 10369 # correct SSSR count
190: ok 10370 # ring membership passed
190: ok 10371 # correct SSSR count
190: ok 10372 # ring membership passed
190: ok 10373 # correct SSSR count
190: ok 10374 # ring membership passed
190: ok 10375 # correct SSSR count
190: ok 10376 # ring membership passed
190: ok 10377 # correct SSSR count
190: ok 10378 # ring membership passed
190: ok 10379 # correct SSSR count
190: ok 10380 # ring membership passed
190: ok 10381 # correct SSSR count
190: ok 10382 # ring membership passed
190: ok 10383 # correct SSSR count
190: ok 10384 # ring membership passed
190: ok 10385 # correct SSSR count
190: ok 10386 # ring membership passed
190: ok 10387 # correct SSSR count
190: ok 10388 # ring membership passed
190: ok 10389 # correct SSSR count
190: ok 10390 # ring membership passed
190: ok 10391 # correct SSSR count
190: ok 10392 # ring membership passed
190: ok 10393 # correct SSSR count
190: ok 10394 # ring membership passed
190: ok 10395 # correct SSSR count
190: ok 10396 # ring membership passed
190: ok 10397 # correct SSSR count
190: ok 10398 # ring membership passed
190: ok 10399 # correct SSSR count
190: ok 10400 # ring membership passed
190: ok 10401 # correct SSSR count
190: ok 10402 # ring membership passed
190: ok 10403 # correct SSSR count
190: ok 10404 # ring membership passed
190: ok 10405 # correct SSSR count
190: ok 10406 # ring membership passed
190: ok 10407 # correct ring bond data
190: ok 10408 # correct ring bond data
190: ok 10409 # correct ring bond data
190: ok 10410 # correct ring bond data
190: ok 10411 # correct ring bond data
190: ok 10412 # correct ring bond data
190: ok 10413 # correct ring bond data
190: ok 10414 # correct ring bond data
190: ok 10415 # correct ring bond data
190: ok 10416 # correct ring bond data
190: ok 10417 # correct ring bond data
190: ok 10418 # correct ring bond data
190: ok 10419 # correct ring bond data
190: ok 10420 # correct ring bond data
190: ok 10421 # correct ring bond data
190: ok 10422 # correct ring bond data
190: ok 10423 # correct ring bond data
190: ok 10424 # correct ring bond data
190: ok 10425 # correct ring bond data
190: ok 10426 # correct ring bond data
190: ok 10427 # correct ring bond data
190: ok 10428 # correct ring bond data
190: ok 10429 # correct ring bond data
190: ok 10430 # correct ring bond data
190: ok 10431 # correct ring bond data
190: ok 10432 # correct ring bond data
190: ok 10433 # correct ring bond data
190: ok 10434 # correct ring bond data
190: ok 10435 # SSSR size matches reference
190: ok 10436 # correct SSSR count
190: ok 10437 # ring membership passed
190: ok 10438 # correct SSSR count
190: ok 10439 # ring membership passed
190: ok 10440 # correct SSSR count
190: ok 10441 # ring membership passed
190: ok 10442 # correct SSSR count
190: ok 10443 # ring membership passed
190: ok 10444 # correct SSSR count
190: ok 10445 # ring membership passed
190: ok 10446 # correct SSSR count
190: ok 10447 # ring membership passed
190: ok 10448 # correct SSSR count
190: ok 10449 # ring membership passed
190: ok 10450 # correct SSSR count
190: ok 10451 # ring membership passed
190: ok 10452 # correct SSSR count
190: ok 10453 # ring membership passed
190: ok 10454 # correct SSSR count
190: ok 10455 # ring membership passed
190: ok 10456 # correct SSSR count
190: ok 10457 # ring membership passed
190: ok 10458 # correct SSSR count
190: ok 10459 # ring membership passed
190: ok 10460 # correct SSSR count
190: ok 10461 # ring membership passed
190: ok 10462 # correct SSSR count
190: ok 10463 # ring membership passed
190: ok 10464 # correct SSSR count
190: ok 10465 # ring membership passed
190: ok 10466 # correct SSSR count
190: ok 10467 # ring membership passed
190: ok 10468 # correct SSSR count
190: ok 10469 # ring membership passed
190: ok 10470 # correct SSSR count
190: ok 10471 # ring membership passed
190: ok 10472 # correct SSSR count
190: ok 10473 # ring membership passed
190: ok 10474 # correct SSSR count
190: ok 10475 # ring membership passed
190: ok 10476 # correct SSSR count
190: ok 10477 # ring membership passed
190: ok 10478 # correct SSSR count
190: ok 10479 # ring membership passed
190: ok 10480 # correct SSSR count
190: ok 10481 # ring membership passed
190: ok 10482 # correct SSSR count
190: ok 10483 # ring membership passed
190: ok 10484 # correct SSSR count
190: ok 10485 # ring membership passed
190: ok 10486 # correct SSSR count
190: ok 10487 # ring membership passed
190: ok 10488 # correct SSSR count
190: ok 10489 # ring membership passed
190: ok 10490 # correct ring bond data
190: ok 10491 # correct ring bond data
190: ok 10492 # correct ring bond data
190: ok 10493 # correct ring bond data
190: ok 10494 # correct ring bond data
190: ok 10495 # correct ring bond data
190: ok 10496 # correct ring bond data
190: ok 10497 # correct ring bond data
190: ok 10498 # correct ring bond data
190: ok 10499 # correct ring bond data
190: ok 10500 # correct ring bond data
190: ok 10501 # correct ring bond data
190: ok 10502 # correct ring bond data
190: ok 10503 # correct ring bond data
190: ok 10504 # correct ring bond data
190: ok 10505 # correct ring bond data
190: ok 10506 # correct ring bond data
190: ok 10507 # correct ring bond data
190: ok 10508 # correct ring bond data
190: ok 10509 # SSSR size matches reference
190: ok 10510 # correct SSSR count
190: ok 10511 # ring membership passed
190: ok 10512 # correct SSSR count
190: ok 10513 # ring membership passed
190: ok 10514 # correct SSSR count
190: ok 10515 # ring membership passed
190: ok 10516 # correct SSSR count
190: ok 10517 # ring membership passed
190: ok 10518 # correct SSSR count
190: ok 10519 # ring membership passed
190: ok 10520 # correct SSSR count
190: ok 10521 # ring membership passed
190: ok 10522 # correct SSSR count
190: ok 10523 # ring membership passed
190: ok 10524 # correct SSSR count
190: ok 10525 # ring membership passed
190: ok 10526 # correct SSSR count
190: ok 10527 # ring membership passed
190: ok 10528 # correct SSSR count
190: ok 10529 # ring membership passed
190: ok 10530 # correct SSSR count
190: ok 10531 # ring membership passed
190: ok 10532 # correct SSSR count
190: ok 10533 # ring membership passed
190: ok 10534 # correct SSSR count
190: ok 10535 # ring membership passed
190: ok 10536 # correct SSSR count
190: ok 10537 # ring membership passed
190: ok 10538 # correct SSSR count
190: ok 10539 # ring membership passed
190: ok 10540 # correct SSSR count
190: ok 10541 # ring membership passed
190: ok 10542 # correct SSSR count
190: ok 10543 # ring membership passed
190: ok 10544 # correct SSSR count
190: ok 10545 # ring membership passed
190: ok 10546 # correct ring bond data
190: ok 10547 # correct ring bond data
190: ok 10548 # correct ring bond data
190: ok 10549 # correct ring bond data
190: ok 10550 # correct ring bond data
190: ok 10551 # correct ring bond data
190: ok 10552 # correct ring bond data
190: ok 10553 # correct ring bond data
190: ok 10554 # correct ring bond data
190: ok 10555 # correct ring bond data
190: ok 10556 # correct ring bond data
190: ok 10557 # correct ring bond data
190: ok 10558 # correct ring bond data
190: ok 10559 # correct ring bond data
190: ok 10560 # correct ring bond data
190: ok 10561 # correct ring bond data
190: ok 10562 # correct ring bond data
190: ok 10563 # correct ring bond data
190: ok 10564 # correct ring bond data
190: ok 10565 # correct ring bond data
190: ok 10566 # correct ring bond data
190: ok 10567 # correct ring bond data
190: ok 10568 # correct ring bond data
190: ok 10569 # correct ring bond data
190: ok 10570 # correct ring bond data
190: ok 10571 # SSSR size matches reference
190: ok 10572 # correct SSSR count
190: ok 10573 # ring membership passed
190: ok 10574 # correct SSSR count
190: ok 10575 # ring membership passed
190: ok 10576 # correct SSSR count
190: ok 10577 # ring membership passed
190: ok 10578 # correct SSSR count
190: ok 10579 # ring membership passed
190: ok 10580 # correct SSSR count
190: ok 10581 # ring membership passed
190: ok 10582 # correct SSSR count
190: ok 10583 # ring membership passed
190: ok 10584 # correct SSSR count
190: ok 10585 # ring membership passed
190: ok 10586 # correct SSSR count
190: ok 10587 # ring membership passed
190: ok 10588 # correct SSSR count
190: ok 10589 # ring membership passed
190: ok 10590 # correct SSSR count
190: ok 10591 # ring membership passed
190: ok 10592 # correct SSSR count
190: ok 10593 # ring membership passed
190: ok 10594 # correct SSSR count
190: ok 10595 # ring membership passed
190: ok 10596 # correct SSSR count
190: ok 10597 # ring membership passed
190: ok 10598 # correct SSSR count
190: ok 10599 # ring membership passed
190: ok 10600 # correct SSSR count
190: ok 10601 # ring membership passed
190: ok 10602 # correct SSSR count
190: ok 10603 # ring membership passed
190: ok 10604 # correct SSSR count
190: ok 10605 # ring membership passed
190: ok 10606 # correct SSSR count
190: ok 10607 # ring membership passed
190: ok 10608 # correct SSSR count
190: ok 10609 # ring membership passed
190: ok 10610 # correct SSSR count
190: ok 10611 # ring membership passed
190: ok 10612 # correct SSSR count
190: ok 10613 # ring membership passed
190: ok 10614 # correct SSSR count
190: ok 10615 # ring membership passed
190: ok 10616 # correct SSSR count
190: ok 10617 # ring membership passed
190: ok 10618 # correct ring bond data
190: ok 10619 # correct ring bond data
190: ok 10620 # correct ring bond data
190: ok 10621 # correct ring bond data
190: ok 10622 # correct ring bond data
190: ok 10623 # correct ring bond data
190: ok 10624 # correct ring bond data
190: ok 10625 # correct ring bond data
190: ok 10626 # correct ring bond data
190: ok 10627 # correct ring bond data
190: ok 10628 # correct ring bond data
190: ok 10629 # correct ring bond data
190: ok 10630 # correct ring bond data
190: ok 10631 # correct ring bond data
190: ok 10632 # correct ring bond data
190: ok 10633 # correct ring bond data
190: ok 10634 # correct ring bond data
190: ok 10635 # correct ring bond data
190: ok 10636 # correct ring bond data
190: ok 10637 # correct ring bond data
190: ok 10638 # correct ring bond data
190: ok 10639 # correct ring bond data
190: ok 10640 # correct ring bond data
190: ok 10641 # correct ring bond data
190: ok 10642 # SSSR size matches reference
190: ok 10643 # correct SSSR count
190: ok 10644 # ring membership passed
190: ok 10645 # correct SSSR count
190: ok 10646 # ring membership passed
190: ok 10647 # correct SSSR count
190: ok 10648 # ring membership passed
190: ok 10649 # correct SSSR count
190: ok 10650 # ring membership passed
190: ok 10651 # correct SSSR count
190: ok 10652 # ring membership passed
190: ok 10653 # correct SSSR count
190: ok 10654 # ring membership passed
190: ok 10655 # correct SSSR count
190: ok 10656 # ring membership passed
190: ok 10657 # correct SSSR count
190: ok 10658 # ring membership passed
190: ok 10659 # correct SSSR count
190: ok 10660 # ring membership passed
190: ok 10661 # correct SSSR count
190: ok 10662 # ring membership passed
190: ok 10663 # correct SSSR count
190: ok 10664 # ring membership passed
190: ok 10665 # correct SSSR count
190: ok 10666 # ring membership passed
190: ok 10667 # correct SSSR count
190: ok 10668 # ring membership passed
190: ok 10669 # correct SSSR count
190: ok 10670 # ring membership passed
190: ok 10671 # correct SSSR count
190: ok 10672 # ring membership passed
190: ok 10673 # correct SSSR count
190: ok 10674 # ring membership passed
190: ok 10675 # correct SSSR count
190: ok 10676 # ring membership passed
190: ok 10677 # correct SSSR count
190: ok 10678 # ring membership passed
190: ok 10679 # correct SSSR count
190: ok 10680 # ring membership passed
190: ok 10681 # correct SSSR count
190: ok 10682 # ring membership passed
190: ok 10683 # correct SSSR count
190: ok 10684 # ring membership passed
190: ok 10685 # correct SSSR count
190: ok 10686 # ring membership passed
190: ok 10687 # correct ring bond data
190: ok 10688 # correct ring bond data
190: ok 10689 # correct ring bond data
190: ok 10690 # correct ring bond data
190: ok 10691 # correct ring bond data
190: ok 10692 # correct ring bond data
190: ok 10693 # correct ring bond data
190: ok 10694 # correct ring bond data
190: ok 10695 # correct ring bond data
190: ok 10696 # correct ring bond data
190: ok 10697 # correct ring bond data
190: ok 10698 # correct ring bond data
190: ok 10699 # correct ring bond data
190: ok 10700 # correct ring bond data
190: ok 10701 # correct ring bond data
190: ok 10702 # correct ring bond data
190: ok 10703 # correct ring bond data
190: ok 10704 # correct ring bond data
190: ok 10705 # correct ring bond data
190: ok 10706 # SSSR size matches reference
190: ok 10707 # correct SSSR count
190: ok 10708 # ring membership passed
190: ok 10709 # correct SSSR count
190: ok 10710 # ring membership passed
190: ok 10711 # correct SSSR count
190: ok 10712 # ring membership passed
190: ok 10713 # correct SSSR count
190: ok 10714 # ring membership passed
190: ok 10715 # correct SSSR count
190: ok 10716 # ring membership passed
190: ok 10717 # correct SSSR count
190: ok 10718 # ring membership passed
190: ok 10719 # correct SSSR count
190: ok 10720 # ring membership passed
190: ok 10721 # correct SSSR count
190: ok 10722 # ring membership passed
190: ok 10723 # correct SSSR count
190: ok 10724 # ring membership passed
190: ok 10725 # correct SSSR count
190: ok 10726 # ring membership passed
190: ok 10727 # correct SSSR count
190: ok 10728 # ring membership passed
190: ok 10729 # correct SSSR count
190: ok 10730 # ring membership passed
190: ok 10731 # correct SSSR count
190: ok 10732 # ring membership passed
190: ok 10733 # correct SSSR count
190: ok 10734 # ring membership passed
190: ok 10735 # correct SSSR count
190: ok 10736 # ring membership passed
190: ok 10737 # correct SSSR count
190: ok 10738 # ring membership passed
190: ok 10739 # correct SSSR count
190: ok 10740 # ring membership passed
190: ok 10741 # correct SSSR count
190: ok 10742 # ring membership passed
190: ok 10743 # correct SSSR count
190: ok 10744 # ring membership passed
190: ok 10745 # correct ring bond data
190: ok 10746 # correct ring bond data
190: ok 10747 # correct ring bond data
190: ok 10748 # correct ring bond data
190: ok 10749 # correct ring bond data
190: ok 10750 # correct ring bond data
190: ok 10751 # correct ring bond data
190: ok 10752 # correct ring bond data
190: ok 10753 # correct ring bond data
190: ok 10754 # correct ring bond data
190: ok 10755 # correct ring bond data
190: ok 10756 # correct ring bond data
190: ok 10757 # correct ring bond data
190: ok 10758 # correct ring bond data
190: ok 10759 # correct ring bond data
190: ok 10760 # correct ring bond data
190: ok 10761 # SSSR size matches reference
190: ok 10762 # correct SSSR count
190: ok 10763 # ring membership passed
190: ok 10764 # correct SSSR count
190: ok 10765 # ring membership passed
190: ok 10766 # correct SSSR count
190: ok 10767 # ring membership passed
190: ok 10768 # correct SSSR count
190: ok 10769 # ring membership passed
190: ok 10770 # correct SSSR count
190: ok 10771 # ring membership passed
190: ok 10772 # correct SSSR count
190: ok 10773 # ring membership passed
190: ok 10774 # correct SSSR count
190: ok 10775 # ring membership passed
190: ok 10776 # correct SSSR count
190: ok 10777 # ring membership passed
190: ok 10778 # correct SSSR count
190: ok 10779 # ring membership passed
190: ok 10780 # correct SSSR count
190: ok 10781 # ring membership passed
190: ok 10782 # correct SSSR count
190: ok 10783 # ring membership passed
190: ok 10784 # correct SSSR count
190: ok 10785 # ring membership passed
190: ok 10786 # correct SSSR count
190: ok 10787 # ring membership passed
190: ok 10788 # correct SSSR count
190: ok 10789 # ring membership passed
190: ok 10790 # correct SSSR count
190: ok 10791 # ring membership passed
190: ok 10792 # correct ring bond data
190: ok 10793 # correct ring bond data
190: ok 10794 # correct ring bond data
190: ok 10795 # correct ring bond data
190: ok 10796 # correct ring bond data
190: ok 10797 # correct ring bond data
190: ok 10798 # correct ring bond data
190: ok 10799 # correct ring bond data
190: ok 10800 # correct ring bond data
190: ok 10801 # correct ring bond data
190: ok 10802 # correct ring bond data
190: ok 10803 # correct ring bond data
190: ok 10804 # correct ring bond data
190: ok 10805 # correct ring bond data
190: ok 10806 # correct ring bond data
190: ok 10807 # SSSR size matches reference
190: ok 10808 # correct SSSR count
190: ok 10809 # ring membership passed
190: ok 10810 # correct SSSR count
190: ok 10811 # ring membership passed
190: ok 10812 # correct SSSR count
190: ok 10813 # ring membership passed
190: ok 10814 # correct SSSR count
190: ok 10815 # ring membership passed
190: ok 10816 # correct SSSR count
190: ok 10817 # ring membership passed
190: ok 10818 # correct SSSR count
190: ok 10819 # ring membership passed
190: ok 10820 # correct SSSR count
190: ok 10821 # ring membership passed
190: ok 10822 # correct SSSR count
190: ok 10823 # ring membership passed
190: ok 10824 # correct SSSR count
190: ok 10825 # ring membership passed
190: ok 10826 # correct SSSR count
190: ok 10827 # ring membership passed
190: ok 10828 # correct SSSR count
190: ok 10829 # ring membership passed
190: ok 10830 # correct SSSR count
190: ok 10831 # ring membership passed
190: ok 10832 # correct SSSR count
190: ok 10833 # ring membership passed
190: ok 10834 # correct SSSR count
190: ok 10835 # ring membership passed
190: ok 10836 # correct ring bond data
190: ok 10837 # correct ring bond data
190: ok 10838 # correct ring bond data
190: ok 10839 # correct ring bond data
190: ok 10840 # correct ring bond data
190: ok 10841 # correct ring bond data
190: ok 10842 # correct ring bond data
190: ok 10843 # correct ring bond data
190: ok 10844 # correct ring bond data
190: ok 10845 # correct ring bond data
190: ok 10846 # correct ring bond data
190: ok 10847 # correct ring bond data
190: ok 10848 # correct ring bond data
190: ok 10849 # correct ring bond data
190: ok 10850 # correct ring bond data
190: ok 10851 # correct ring bond data
190: ok 10852 # SSSR size matches reference
190: ok 10853 # correct SSSR count
190: ok 10854 # ring membership passed
190: ok 10855 # correct SSSR count
190: ok 10856 # ring membership passed
190: ok 10857 # correct SSSR count
190: ok 10858 # ring membership passed
190: ok 10859 # correct SSSR count
190: ok 10860 # ring membership passed
190: ok 10861 # correct SSSR count
190: ok 10862 # ring membership passed
190: ok 10863 # correct SSSR count
190: ok 10864 # ring membership passed
190: ok 10865 # correct SSSR count
190: ok 10866 # ring membership passed
190: ok 10867 # correct SSSR count
190: ok 10868 # ring membership passed
190: ok 10869 # correct SSSR count
190: ok 10870 # ring membership passed
190: ok 10871 # correct SSSR count
190: ok 10872 # ring membership passed
190: ok 10873 # correct SSSR count
190: ok 10874 # ring membership passed
190: ok 10875 # correct SSSR count
190: ok 10876 # ring membership passed
190: ok 10877 # correct SSSR count
190: ok 10878 # ring membership passed
190: ok 10879 # correct SSSR count
190: ok 10880 # ring membership passed
190: ok 10881 # correct SSSR count
190: ok 10882 # ring membership passed
190: ok 10883 # correct ring bond data
190: ok 10884 # correct ring bond data
190: ok 10885 # correct ring bond data
190: ok 10886 # correct ring bond data
190: ok 10887 # correct ring bond data
190: ok 10888 # correct ring bond data
190: ok 10889 # correct ring bond data
190: ok 10890 # correct ring bond data
190: ok 10891 # correct ring bond data
190: ok 10892 # correct ring bond data
190: ok 10893 # correct ring bond data
190: ok 10894 # correct ring bond data
190: ok 10895 # correct ring bond data
190: ok 10896 # correct ring bond data
190: ok 10897 # correct ring bond data
190: ok 10898 # correct ring bond data
190: ok 10899 # correct ring bond data
190: ok 10900 # correct ring bond data
190: ok 10901 # SSSR size matches reference
190: ok 10902 # correct SSSR count
190: ok 10903 # ring membership passed
190: ok 10904 # correct SSSR count
190: ok 10905 # ring membership passed
190: ok 10906 # correct SSSR count
190: ok 10907 # ring membership passed
190: ok 10908 # correct SSSR count
190: ok 10909 # ring membership passed
190: ok 10910 # correct SSSR count
190: ok 10911 # ring membership passed
190: ok 10912 # correct SSSR count
190: ok 10913 # ring membership passed
190: ok 10914 # correct SSSR count
190: ok 10915 # ring membership passed
190: ok 10916 # correct SSSR count
190: ok 10917 # ring membership passed
190: ok 10918 # correct SSSR count
190: ok 10919 # ring membership passed
190: ok 10920 # correct SSSR count
190: ok 10921 # ring membership passed
190: ok 10922 # correct SSSR count
190: ok 10923 # ring membership passed
190: ok 10924 # correct SSSR count
190: ok 10925 # ring membership passed
190: ok 10926 # correct SSSR count
190: ok 10927 # ring membership passed
190: ok 10928 # correct SSSR count
190: ok 10929 # ring membership passed
190: ok 10930 # correct SSSR count
190: ok 10931 # ring membership passed
190: ok 10932 # correct SSSR count
190: ok 10933 # ring membership passed
190: ok 10934 # correct SSSR count
190: ok 10935 # ring membership passed
190: ok 10936 # correct ring bond data
190: ok 10937 # correct ring bond data
190: ok 10938 # correct ring bond data
190: ok 10939 # correct ring bond data
190: ok 10940 # correct ring bond data
190: ok 10941 # correct ring bond data
190: ok 10942 # correct ring bond data
190: ok 10943 # correct ring bond data
190: ok 10944 # correct ring bond data
190: ok 10945 # correct ring bond data
190: ok 10946 # correct ring bond data
190: ok 10947 # correct ring bond data
190: ok 10948 # correct ring bond data
190: ok 10949 # correct ring bond data
190: ok 10950 # correct ring bond data
190: ok 10951 # correct ring bond data
190: ok 10952 # correct ring bond data
190: ok 10953 # correct ring bond data
190: ok 10954 # correct ring bond data
190: ok 10955 # correct ring bond data
190: ok 10956 # correct ring bond data
190: ok 10957 # correct ring bond data
190: ok 10958 # correct ring bond data
190: ok 10959 # correct ring bond data
190: ok 10960 # correct ring bond data
190: ok 10961 # correct ring bond data
190: ok 10962 # correct ring bond data
190: ok 10963 # correct ring bond data
190: ok 10964 # correct ring bond data
190: ok 10965 # correct ring bond data
190: ok 10966 # correct ring bond data
190: ok 10967 # correct ring bond data
190: ok 10968 # correct ring bond data
190: ok 10969 # correct ring bond data
190: ok 10970 # correct ring bond data
190: ok 10971 # correct ring bond data
190: ok 10972 # correct ring bond data
190: ok 10973 # correct ring bond data
190: ok 10974 # SSSR size matches reference
190: ok 10975 # correct SSSR count
190: ok 10976 # ring membership passed
190: ok 10977 # correct SSSR count
190: ok 10978 # ring membership passed
190: ok 10979 # correct SSSR count
190: ok 10980 # ring membership passed
190: ok 10981 # correct SSSR count
190: ok 10982 # ring membership passed
190: ok 10983 # correct SSSR count
190: ok 10984 # ring membership passed
190: ok 10985 # correct SSSR count
190: ok 10986 # ring membership passed
190: ok 10987 # correct SSSR count
190: ok 10988 # ring membership passed
190: ok 10989 # correct SSSR count
190: ok 10990 # ring membership passed
190: ok 10991 # correct SSSR count
190: ok 10992 # ring membership passed
190: ok 10993 # correct SSSR count
190: ok 10994 # ring membership passed
190: ok 10995 # correct SSSR count
190: ok 10996 # ring membership passed
190: ok 10997 # correct SSSR count
190: ok 10998 # ring membership passed
190: ok 10999 # correct SSSR count
190: ok 11000 # ring membership passed
190: ok 11001 # correct SSSR count
190: ok 11002 # ring membership passed
190: ok 11003 # correct SSSR count
190: ok 11004 # ring membership passed
190: ok 11005 # correct SSSR count
190: ok 11006 # ring membership passed
190: ok 11007 # correct SSSR count
190: ok 11008 # ring membership passed
190: ok 11009 # correct SSSR count
190: ok 11010 # ring membership passed
190: ok 11011 # correct SSSR count
190: ok 11012 # ring membership passed
190: ok 11013 # correct SSSR count
190: ok 11014 # ring membership passed
190: ok 11015 # correct SSSR count
190: ok 11016 # ring membership passed
190: ok 11017 # correct SSSR count
190: ok 11018 # ring membership passed
190: ok 11019 # correct SSSR count
190: ok 11020 # ring membership passed
190: ok 11021 # correct SSSR count
190: ok 11022 # ring membership passed
190: ok 11023 # correct SSSR count
190: ok 11024 # ring membership passed
190: ok 11025 # correct SSSR count
190: ok 11026 # ring membership passed
190: ok 11027 # correct SSSR count
190: ok 11028 # ring membership passed
190: ok 11029 # correct SSSR count
190: ok 11030 # ring membership passed
190: ok 11031 # correct SSSR count
190: ok 11032 # ring membership passed
190: ok 11033 # correct SSSR count
190: ok 11034 # ring membership passed
190: ok 11035 # correct SSSR count
190: ok 11036 # ring membership passed
190: ok 11037 # correct SSSR count
190: ok 11038 # ring membership passed
190: ok 11039 # correct SSSR count
190: ok 11040 # ring membership passed
190: ok 11041 # correct SSSR count
190: ok 11042 # ring membership passed
190: ok 11043 # correct SSSR count
190: ok 11044 # ring membership passed
190: ok 11045 # correct SSSR count
190: ok 11046 # ring membership passed
190: ok 11047 # correct ring bond data
190: ok 11048 # correct ring bond data
190: ok 11049 # correct ring bond data
190: ok 11050 # correct ring bond data
190: ok 11051 # correct ring bond data
190: ok 11052 # correct ring bond data
190: ok 11053 # correct ring bond data
190: ok 11054 # correct ring bond data
190: ok 11055 # correct ring bond data
190: ok 11056 # correct ring bond data
190: ok 11057 # correct ring bond data
190: ok 11058 # correct ring bond data
190: ok 11059 # correct ring bond data
190: ok 11060 # correct ring bond data
190: ok 11061 # correct ring bond data
190: ok 11062 # SSSR size matches reference
190: ok 11063 # correct SSSR count
190: ok 11064 # ring membership passed
190: ok 11065 # correct SSSR count
190: ok 11066 # ring membership passed
190: ok 11067 # correct SSSR count
190: ok 11068 # ring membership passed
190: ok 11069 # correct SSSR count
190: ok 11070 # ring membership passed
190: ok 11071 # correct SSSR count
190: ok 11072 # ring membership passed
190: ok 11073 # correct SSSR count
190: ok 11074 # ring membership passed
190: ok 11075 # correct SSSR count
190: ok 11076 # ring membership passed
190: ok 11077 # correct SSSR count
190: ok 11078 # ring membership passed
190: ok 11079 # correct SSSR count
190: ok 11080 # ring membership passed
190: ok 11081 # correct SSSR count
190: ok 11082 # ring membership passed
190: ok 11083 # correct SSSR count
190: ok 11084 # ring membership passed
190: ok 11085 # correct SSSR count
190: ok 11086 # ring membership passed
190: ok 11087 # correct SSSR count
190: ok 11088 # ring membership passed
190: ok 11089 # correct SSSR count
190: ok 11090 # ring membership passed
190: ok 11091 # correct ring bond data
190: ok 11092 # correct ring bond data
190: ok 11093 # correct ring bond data
190: ok 11094 # correct ring bond data
190: ok 11095 # correct ring bond data
190: ok 11096 # correct ring bond data
190: ok 11097 # correct ring bond data
190: ok 11098 # correct ring bond data
190: ok 11099 # correct ring bond data
190: ok 11100 # correct ring bond data
190: ok 11101 # correct ring bond data
190: ok 11102 # correct ring bond data
190: ok 11103 # correct ring bond data
190: ok 11104 # correct ring bond data
190: ok 11105 # correct ring bond data
190: ok 11106 # correct ring bond data
190: ok 11107 # correct ring bond data
190: ok 11108 # correct ring bond data
190: ok 11109 # correct ring bond data
190: ok 11110 # correct ring bond data
190: ok 11111 # correct ring bond data
190: ok 11112 # correct ring bond data
190: ok 11113 # correct ring bond data
190: ok 11114 # correct ring bond data
190: ok 11115 # correct ring bond data
190: ok 11116 # SSSR size matches reference
190: ok 11117 # correct SSSR count
190: ok 11118 # ring membership passed
190: ok 11119 # correct SSSR count
190: ok 11120 # ring membership passed
190: ok 11121 # correct SSSR count
190: ok 11122 # ring membership passed
190: ok 11123 # correct SSSR count
190: ok 11124 # ring membership passed
190: ok 11125 # correct SSSR count
190: ok 11126 # ring membership passed
190: ok 11127 # correct SSSR count
190: ok 11128 # ring membership passed
190: ok 11129 # correct SSSR count
190: ok 11130 # ring membership passed
190: ok 11131 # correct SSSR count
190: ok 11132 # ring membership passed
190: ok 11133 # correct SSSR count
190: ok 11134 # ring membership passed
190: ok 11135 # correct SSSR count
190: ok 11136 # ring membership passed
190: ok 11137 # correct SSSR count
190: ok 11138 # ring membership passed
190: ok 11139 # correct SSSR count
190: ok 11140 # ring membership passed
190: ok 11141 # correct SSSR count
190: ok 11142 # ring membership passed
190: ok 11143 # correct SSSR count
190: ok 11144 # ring membership passed
190: ok 11145 # correct SSSR count
190: ok 11146 # ring membership passed
190: ok 11147 # correct SSSR count
190: ok 11148 # ring membership passed
190: ok 11149 # correct SSSR count
190: ok 11150 # ring membership passed
190: ok 11151 # correct SSSR count
190: ok 11152 # ring membership passed
190: ok 11153 # correct SSSR count
190: ok 11154 # ring membership passed
190: ok 11155 # correct SSSR count
190: ok 11156 # ring membership passed
190: ok 11157 # correct SSSR count
190: ok 11158 # ring membership passed
190: ok 11159 # correct SSSR count
190: ok 11160 # ring membership passed
190: ok 11161 # correct SSSR count
190: ok 11162 # ring membership passed
190: ok 11163 # correct ring bond data
190: ok 11164 # correct ring bond data
190: ok 11165 # correct ring bond data
190: ok 11166 # correct ring bond data
190: ok 11167 # correct ring bond data
190: ok 11168 # correct ring bond data
190: ok 11169 # correct ring bond data
190: ok 11170 # correct ring bond data
190: ok 11171 # correct ring bond data
190: ok 11172 # correct ring bond data
190: ok 11173 # correct ring bond data
190: ok 11174 # correct ring bond data
190: ok 11175 # correct ring bond data
190: ok 11176 # correct ring bond data
190: ok 11177 # correct ring bond data
190: ok 11178 # correct ring bond data
190: ok 11179 # correct ring bond data
190: ok 11180 # correct ring bond data
190: ok 11181 # correct ring bond data
190: ok 11182 # correct ring bond data
190: ok 11183 # SSSR size matches reference
190: ok 11184 # correct SSSR count
190: ok 11185 # ring membership passed
190: ok 11186 # correct SSSR count
190: ok 11187 # ring membership passed
190: ok 11188 # correct SSSR count
190: ok 11189 # ring membership passed
190: ok 11190 # correct SSSR count
190: ok 11191 # ring membership passed
190: ok 11192 # correct SSSR count
190: ok 11193 # ring membership passed
190: ok 11194 # correct SSSR count
190: ok 11195 # ring membership passed
190: ok 11196 # correct SSSR count
190: ok 11197 # ring membership passed
190: ok 11198 # correct SSSR count
190: ok 11199 # ring membership passed
190: ok 11200 # correct SSSR count
190: ok 11201 # ring membership passed
190: ok 11202 # correct SSSR count
190: ok 11203 # ring membership passed
190: ok 11204 # correct SSSR count
190: ok 11205 # ring membership passed
190: ok 11206 # correct SSSR count
190: ok 11207 # ring membership passed
190: ok 11208 # correct SSSR count
190: ok 11209 # ring membership passed
190: ok 11210 # correct SSSR count
190: ok 11211 # ring membership passed
190: ok 11212 # correct SSSR count
190: ok 11213 # ring membership passed
190: ok 11214 # correct SSSR count
190: ok 11215 # ring membership passed
190: ok 11216 # correct SSSR count
190: ok 11217 # ring membership passed
190: ok 11218 # correct SSSR count
190: ok 11219 # ring membership passed
190: ok 11220 # correct ring bond data
190: ok 11221 # correct ring bond data
190: ok 11222 # correct ring bond data
190: ok 11223 # correct ring bond data
190: ok 11224 # correct ring bond data
190: ok 11225 # correct ring bond data
190: ok 11226 # correct ring bond data
190: ok 11227 # correct ring bond data
190: ok 11228 # correct ring bond data
190: ok 11229 # correct ring bond data
190: ok 11230 # correct ring bond data
190: ok 11231 # correct ring bond data
190: ok 11232 # correct ring bond data
190: ok 11233 # correct ring bond data
190: ok 11234 # correct ring bond data
190: ok 11235 # correct ring bond data
190: ok 11236 # correct ring bond data
190: ok 11237 # correct ring bond data
190: ok 11238 # correct ring bond data
190: ok 11239 # correct ring bond data
190: ok 11240 # SSSR size matches reference
190: ok 11241 # correct SSSR count
190: ok 11242 # ring membership passed
190: ok 11243 # correct SSSR count
190: ok 11244 # ring membership passed
190: ok 11245 # correct SSSR count
190: ok 11246 # ring membership passed
190: ok 11247 # correct SSSR count
190: ok 11248 # ring membership passed
190: ok 11249 # correct SSSR count
190: ok 11250 # ring membership passed
190: ok 11251 # correct SSSR count
190: ok 11252 # ring membership passed
190: ok 11253 # correct SSSR count
190: ok 11254 # ring membership passed
190: ok 11255 # correct SSSR count
190: ok 11256 # ring membership passed
190: ok 11257 # correct SSSR count
190: ok 11258 # ring membership passed
190: ok 11259 # correct SSSR count
190: ok 11260 # ring membership passed
190: ok 11261 # correct SSSR count
190: ok 11262 # ring membership passed
190: ok 11263 # correct SSSR count
190: ok 11264 # ring membership passed
190: ok 11265 # correct SSSR count
190: ok 11266 # ring membership passed
190: ok 11267 # correct SSSR count
190: ok 11268 # ring membership passed
190: ok 11269 # correct SSSR count
190: ok 11270 # ring membership passed
190: ok 11271 # correct SSSR count
190: ok 11272 # ring membership passed
190: ok 11273 # correct SSSR count
190: ok 11274 # ring membership passed
190: ok 11275 # correct SSSR count
190: ok 11276 # ring membership passed
190: ok 11277 # correct ring bond data
190: ok 11278 # correct ring bond data
190: ok 11279 # correct ring bond data
190: ok 11280 # correct ring bond data
190: ok 11281 # correct ring bond data
190: ok 11282 # correct ring bond data
190: ok 11283 # correct ring bond data
190: ok 11284 # correct ring bond data
190: ok 11285 # correct ring bond data
190: ok 11286 # correct ring bond data
190: ok 11287 # correct ring bond data
190: ok 11288 # correct ring bond data
190: ok 11289 # correct ring bond data
190: ok 11290 # correct ring bond data
190: ok 11291 # correct ring bond data
190: ok 11292 # correct ring bond data
190: ok 11293 # correct ring bond data
190: ok 11294 # SSSR size matches reference
190: ok 11295 # correct SSSR count
190: ok 11296 # ring membership passed
190: ok 11297 # correct SSSR count
190: ok 11298 # ring membership passed
190: ok 11299 # correct SSSR count
190: ok 11300 # ring membership passed
190: ok 11301 # correct SSSR count
190: ok 11302 # ring membership passed
190: ok 11303 # correct SSSR count
190: ok 11304 # ring membership passed
190: ok 11305 # correct SSSR count
190: ok 11306 # ring membership passed
190: ok 11307 # correct SSSR count
190: ok 11308 # ring membership passed
190: ok 11309 # correct SSSR count
190: ok 11310 # ring membership passed
190: ok 11311 # correct SSSR count
190: ok 11312 # ring membership passed
190: ok 11313 # correct SSSR count
190: ok 11314 # ring membership passed
190: ok 11315 # correct SSSR count
190: ok 11316 # ring membership passed
190: ok 11317 # correct SSSR count
190: ok 11318 # ring membership passed
190: ok 11319 # correct SSSR count
190: ok 11320 # ring membership passed
190: ok 11321 # correct SSSR count
190: ok 11322 # ring membership passed
190: ok 11323 # correct SSSR count
190: ok 11324 # ring membership passed
190: ok 11325 # correct SSSR count
190: ok 11326 # ring membership passed
190: ok 11327 # correct SSSR count
190: ok 11328 # ring membership passed
190: ok 11329 # correct ring bond data
190: ok 11330 # correct ring bond data
190: ok 11331 # correct ring bond data
190: ok 11332 # correct ring bond data
190: ok 11333 # correct ring bond data
190: ok 11334 # correct ring bond data
190: ok 11335 # correct ring bond data
190: ok 11336 # correct ring bond data
190: ok 11337 # correct ring bond data
190: ok 11338 # correct ring bond data
190: ok 11339 # correct ring bond data
190: ok 11340 # correct ring bond data
190: ok 11341 # correct ring bond data
190: ok 11342 # correct ring bond data
190: ok 11343 # correct ring bond data
190: ok 11344 # correct ring bond data
190: ok 11345 # correct ring bond data
190: ok 11346 # correct ring bond data
190: ok 11347 # correct ring bond data
190: ok 11348 # correct ring bond data
190: ok 11349 # correct ring bond data
190: ok 11350 # correct ring bond data
190: ok 11351 # correct ring bond data
190: ok 11352 # correct ring bond data
190: ok 11353 # correct ring bond data
190: ok 11354 # correct ring bond data
190: ok 11355 # correct ring bond data
190: ok 11356 # correct ring bond data
190: ok 11357 # correct ring bond data
190: ok 11358 # correct ring bond data
190: ok 11359 # correct ring bond data
190: ok 11360 # SSSR size matches reference
190: ok 11361 # correct SSSR count
190: ok 11362 # ring membership passed
190: ok 11363 # correct SSSR count
190: ok 11364 # ring membership passed
190: ok 11365 # correct SSSR count
190: ok 11366 # ring membership passed
190: ok 11367 # correct SSSR count
190: ok 11368 # ring membership passed
190: ok 11369 # correct SSSR count
190: ok 11370 # ring membership passed
190: ok 11371 # correct SSSR count
190: ok 11372 # ring membership passed
190: ok 11373 # correct SSSR count
190: ok 11374 # ring membership passed
190: ok 11375 # correct SSSR count
190: ok 11376 # ring membership passed
190: ok 11377 # correct SSSR count
190: ok 11378 # ring membership passed
190: ok 11379 # correct SSSR count
190: ok 11380 # ring membership passed
190: ok 11381 # correct SSSR count
190: ok 11382 # ring membership passed
190: ok 11383 # correct SSSR count
190: ok 11384 # ring membership passed
190: ok 11385 # correct SSSR count
190: ok 11386 # ring membership passed
190: ok 11387 # correct SSSR count
190: ok 11388 # ring membership passed
190: ok 11389 # correct SSSR count
190: ok 11390 # ring membership passed
190: ok 11391 # correct SSSR count
190: ok 11392 # ring membership passed
190: ok 11393 # correct SSSR count
190: ok 11394 # ring membership passed
190: ok 11395 # correct SSSR count
190: ok 11396 # ring membership passed
190: ok 11397 # correct SSSR count
190: ok 11398 # ring membership passed
190: ok 11399 # correct SSSR count
190: ok 11400 # ring membership passed
190: ok 11401 # correct SSSR count
190: ok 11402 # ring membership passed
190: ok 11403 # correct SSSR count
190: ok 11404 # ring membership passed
190: ok 11405 # correct SSSR count
190: ok 11406 # ring membership passed
190: ok 11407 # correct SSSR count
190: ok 11408 # ring membership passed
190: ok 11409 # correct SSSR count
190: ok 11410 # ring membership passed
190: ok 11411 # correct SSSR count
190: ok 11412 # ring membership passed
190: ok 11413 # correct SSSR count
190: ok 11414 # ring membership passed
190: ok 11415 # correct SSSR count
190: ok 11416 # ring membership passed
190: ok 11417 # correct SSSR count
190: ok 11418 # ring membership passed
190: ok 11419 # correct ring bond data
190: ok 11420 # correct ring bond data
190: ok 11421 # correct ring bond data
190: ok 11422 # correct ring bond data
190: ok 11423 # correct ring bond data
190: ok 11424 # correct ring bond data
190: ok 11425 # correct ring bond data
190: ok 11426 # correct ring bond data
190: ok 11427 # correct ring bond data
190: ok 11428 # correct ring bond data
190: ok 11429 # correct ring bond data
190: ok 11430 # correct ring bond data
190: ok 11431 # correct ring bond data
190: ok 11432 # correct ring bond data
190: ok 11433 # correct ring bond data
190: ok 11434 # correct ring bond data
190: ok 11435 # correct ring bond data
190: ok 11436 # correct ring bond data
190: ok 11437 # correct ring bond data
190: ok 11438 # SSSR size matches reference
190: ok 11439 # correct SSSR count
190: ok 11440 # ring membership passed
190: ok 11441 # correct SSSR count
190: ok 11442 # ring membership passed
190: ok 11443 # correct SSSR count
190: ok 11444 # ring membership passed
190: ok 11445 # correct SSSR count
190: ok 11446 # ring membership passed
190: ok 11447 # correct SSSR count
190: ok 11448 # ring membership passed
190: ok 11449 # correct SSSR count
190: ok 11450 # ring membership passed
190: ok 11451 # correct SSSR count
190: ok 11452 # ring membership passed
190: ok 11453 # correct SSSR count
190: ok 11454 # ring membership passed
190: ok 11455 # correct SSSR count
190: ok 11456 # ring membership passed
190: ok 11457 # correct SSSR count
190: ok 11458 # ring membership passed
190: ok 11459 # correct SSSR count
190: ok 11460 # ring membership passed
190: ok 11461 # correct SSSR count
190: ok 11462 # ring membership passed
190: ok 11463 # correct SSSR count
190: ok 11464 # ring membership passed
190: ok 11465 # correct SSSR count
190: ok 11466 # ring membership passed
190: ok 11467 # correct SSSR count
190: ok 11468 # ring membership passed
190: ok 11469 # correct SSSR count
190: ok 11470 # ring membership passed
190: ok 11471 # correct SSSR count
190: ok 11472 # ring membership passed
190: ok 11473 # correct SSSR count
190: ok 11474 # ring membership passed
190: ok 11475 # correct ring bond data
190: ok 11476 # correct ring bond data
190: ok 11477 # correct ring bond data
190: ok 11478 # correct ring bond data
190: ok 11479 # correct ring bond data
190: ok 11480 # correct ring bond data
190: ok 11481 # correct ring bond data
190: ok 11482 # correct ring bond data
190: ok 11483 # correct ring bond data
190: ok 11484 # correct ring bond data
190: ok 11485 # correct ring bond data
190: ok 11486 # correct ring bond data
190: ok 11487 # correct ring bond data
190: ok 11488 # correct ring bond data
190: ok 11489 # correct ring bond data
190: ok 11490 # correct ring bond data
190: ok 11491 # correct ring bond data
190: ok 11492 # correct ring bond data
190: ok 11493 # correct ring bond data
190: ok 11494 # correct ring bond data
190: ok 11495 # SSSR size matches reference
190: ok 11496 # correct SSSR count
190: ok 11497 # ring membership passed
190: ok 11498 # correct SSSR count
190: ok 11499 # ring membership passed
190: ok 11500 # correct SSSR count
190: ok 11501 # ring membership passed
190: ok 11502 # correct SSSR count
190: ok 11503 # ring membership passed
190: ok 11504 # correct SSSR count
190: ok 11505 # ring membership passed
190: ok 11506 # correct SSSR count
190: ok 11507 # ring membership passed
190: ok 11508 # correct SSSR count
190: ok 11509 # ring membership passed
190: ok 11510 # correct SSSR count
190: ok 11511 # ring membership passed
190: ok 11512 # correct SSSR count
190: ok 11513 # ring membership passed
190: ok 11514 # correct SSSR count
190: ok 11515 # ring membership passed
190: ok 11516 # correct SSSR count
190: ok 11517 # ring membership passed
190: ok 11518 # correct SSSR count
190: ok 11519 # ring membership passed
190: ok 11520 # correct SSSR count
190: ok 11521 # ring membership passed
190: ok 11522 # correct SSSR count
190: ok 11523 # ring membership passed
190: ok 11524 # correct SSSR count
190: ok 11525 # ring membership passed
190: ok 11526 # correct SSSR count
190: ok 11527 # ring membership passed
190: ok 11528 # correct SSSR count
190: ok 11529 # ring membership passed
190: ok 11530 # correct SSSR count
190: ok 11531 # ring membership passed
190: ok 11532 # correct SSSR count
190: ok 11533 # ring membership passed
190: ok 11534 # correct ring bond data
190: ok 11535 # correct ring bond data
190: ok 11536 # correct ring bond data
190: ok 11537 # correct ring bond data
190: ok 11538 # correct ring bond data
190: ok 11539 # correct ring bond data
190: ok 11540 # correct ring bond data
190: ok 11541 # correct ring bond data
190: ok 11542 # correct ring bond data
190: ok 11543 # correct ring bond data
190: ok 11544 # correct ring bond data
190: ok 11545 # correct ring bond data
190: ok 11546 # correct ring bond data
190: ok 11547 # correct ring bond data
190: ok 11548 # correct ring bond data
190: ok 11549 # correct ring bond data
190: ok 11550 # correct ring bond data
190: ok 11551 # correct ring bond data
190: ok 11552 # correct ring bond data
190: ok 11553 # correct ring bond data
190: ok 11554 # correct ring bond data
190: ok 11555 # SSSR size matches reference
190: ok 11556 # correct SSSR count
190: ok 11557 # ring membership passed
190: ok 11558 # correct SSSR count
190: ok 11559 # ring membership passed
190: ok 11560 # correct SSSR count
190: ok 11561 # ring membership passed
190: ok 11562 # correct SSSR count
190: ok 11563 # ring membership passed
190: ok 11564 # correct SSSR count
190: ok 11565 # ring membership passed
190: ok 11566 # correct SSSR count
190: ok 11567 # ring membership passed
190: ok 11568 # correct SSSR count
190: ok 11569 # ring membership passed
190: ok 11570 # correct SSSR count
190: ok 11571 # ring membership passed
190: ok 11572 # correct SSSR count
190: ok 11573 # ring membership passed
190: ok 11574 # correct SSSR count
190: ok 11575 # ring membership passed
190: ok 11576 # correct SSSR count
190: ok 11577 # ring membership passed
190: ok 11578 # correct SSSR count
190: ok 11579 # ring membership passed
190: ok 11580 # correct SSSR count
190: ok 11581 # ring membership passed
190: ok 11582 # correct SSSR count
190: ok 11583 # ring membership passed
190: ok 11584 # correct SSSR count
190: ok 11585 # ring membership passed
190: ok 11586 # correct SSSR count
190: ok 11587 # ring membership passed
190: ok 11588 # correct SSSR count
190: ok 11589 # ring membership passed
190: ok 11590 # correct SSSR count
190: ok 11591 # ring membership passed
190: ok 11592 # correct SSSR count
190: ok 11593 # ring membership passed
190: ok 11594 # correct SSSR count
190: ok 11595 # ring membership passed
190: ok 11596 # correct ring bond data
190: ok 11597 # correct ring bond data
190: ok 11598 # correct ring bond data
190: ok 11599 # correct ring bond data
190: ok 11600 # correct ring bond data
190: ok 11601 # correct ring bond data
190: ok 11602 # correct ring bond data
190: ok 11603 # correct ring bond data
190: ok 11604 # correct ring bond data
190: ok 11605 # correct ring bond data
190: ok 11606 # correct ring bond data
190: ok 11607 # correct ring bond data
190: ok 11608 # SSSR size matches reference
190: ok 11609 # correct SSSR count
190: ok 11610 # ring membership passed
190: ok 11611 # correct SSSR count
190: ok 11612 # ring membership passed
190: ok 11613 # correct SSSR count
190: ok 11614 # ring membership passed
190: ok 11615 # correct SSSR count
190: ok 11616 # ring membership passed
190: ok 11617 # correct SSSR count
190: ok 11618 # ring membership passed
190: ok 11619 # correct SSSR count
190: ok 11620 # ring membership passed
190: ok 11621 # correct SSSR count
190: ok 11622 # ring membership passed
190: ok 11623 # correct SSSR count
190: ok 11624 # ring membership passed
190: ok 11625 # correct SSSR count
190: ok 11626 # ring membership passed
190: ok 11627 # correct SSSR count
190: ok 11628 # ring membership passed
190: ok 11629 # correct SSSR count
190: ok 11630 # ring membership passed
190: ok 11631 # correct ring bond data
190: ok 11632 # correct ring bond data
190: ok 11633 # correct ring bond data
190: ok 11634 # correct ring bond data
190: ok 11635 # correct ring bond data
190: ok 11636 # correct ring bond data
190: ok 11637 # correct ring bond data
190: ok 11638 # correct ring bond data
190: ok 11639 # correct ring bond data
190: ok 11640 # correct ring bond data
190: ok 11641 # correct ring bond data
190: ok 11642 # correct ring bond data
190: ok 11643 # correct ring bond data
190: ok 11644 # correct ring bond data
190: ok 11645 # correct ring bond data
190: ok 11646 # correct ring bond data
190: ok 11647 # correct ring bond data
190: ok 11648 # correct ring bond data
190: ok 11649 # correct ring bond data
190: ok 11650 # correct ring bond data
190: ok 11651 # SSSR size matches reference
190: ok 11652 # correct SSSR count
190: ok 11653 # ring membership passed
190: ok 11654 # correct SSSR count
190: ok 11655 # ring membership passed
190: ok 11656 # correct SSSR count
190: ok 11657 # ring membership passed
190: ok 11658 # correct SSSR count
190: ok 11659 # ring membership passed
190: ok 11660 # correct SSSR count
190: ok 11661 # ring membership passed
190: ok 11662 # correct SSSR count
190: ok 11663 # ring membership passed
190: ok 11664 # correct SSSR count
190: ok 11665 # ring membership passed
190: ok 11666 # correct SSSR count
190: ok 11667 # ring membership passed
190: ok 11668 # correct SSSR count
190: ok 11669 # ring membership passed
190: ok 11670 # correct SSSR count
190: ok 11671 # ring membership passed
190: ok 11672 # correct SSSR count
190: ok 11673 # ring membership passed
190: ok 11674 # correct SSSR count
190: ok 11675 # ring membership passed
190: ok 11676 # correct SSSR count
190: ok 11677 # ring membership passed
190: ok 11678 # correct SSSR count
190: ok 11679 # ring membership passed
190: ok 11680 # correct SSSR count
190: ok 11681 # ring membership passed
190: ok 11682 # correct SSSR count
190: ok 11683 # ring membership passed
190: ok 11684 # correct SSSR count
190: ok 11685 # ring membership passed
190: ok 11686 # correct SSSR count
190: ok 11687 # ring membership passed
190: ok 11688 # correct SSSR count
190: ok 11689 # ring membership passed
190: ok 11690 # correct ring bond data
190: ok 11691 # correct ring bond data
190: ok 11692 # correct ring bond data
190: ok 11693 # correct ring bond data
190: ok 11694 # correct ring bond data
190: ok 11695 # correct ring bond data
190: ok 11696 # correct ring bond data
190: ok 11697 # correct ring bond data
190: ok 11698 # correct ring bond data
190: ok 11699 # correct ring bond data
190: ok 11700 # correct ring bond data
190: ok 11701 # correct ring bond data
190: ok 11702 # correct ring bond data
190: ok 11703 # SSSR size matches reference
190: ok 11704 # correct SSSR count
190: ok 11705 # ring membership passed
190: ok 11706 # correct SSSR count
190: ok 11707 # ring membership passed
190: ok 11708 # correct SSSR count
190: ok 11709 # ring membership passed
190: ok 11710 # correct SSSR count
190: ok 11711 # ring membership passed
190: ok 11712 # correct SSSR count
190: ok 11713 # ring membership passed
190: ok 11714 # correct SSSR count
190: ok 11715 # ring membership passed
190: ok 11716 # correct SSSR count
190: ok 11717 # ring membership passed
190: ok 11718 # correct SSSR count
190: ok 11719 # ring membership passed
190: ok 11720 # correct SSSR count
190: ok 11721 # ring membership passed
190: ok 11722 # correct SSSR count
190: ok 11723 # ring membership passed
190: ok 11724 # correct SSSR count
190: ok 11725 # ring membership passed
190: ok 11726 # correct SSSR count
190: ok 11727 # ring membership passed
190: ok 11728 # correct ring bond data
190: ok 11729 # correct ring bond data
190: ok 11730 # correct ring bond data
190: ok 11731 # correct ring bond data
190: ok 11732 # correct ring bond data
190: ok 11733 # correct ring bond data
190: ok 11734 # correct ring bond data
190: ok 11735 # correct ring bond data
190: ok 11736 # correct ring bond data
190: ok 11737 # correct ring bond data
190: ok 11738 # correct ring bond data
190: ok 11739 # correct ring bond data
190: ok 11740 # correct ring bond data
190: ok 11741 # correct ring bond data
190: ok 11742 # correct ring bond data
190: ok 11743 # correct ring bond data
190: ok 11744 # correct ring bond data
190: ok 11745 # correct ring bond data
190: ok 11746 # correct ring bond data
190: ok 11747 # correct ring bond data
190: ok 11748 # correct ring bond data
190: ok 11749 # correct ring bond data
190: ok 11750 # correct ring bond data
190: ok 11751 # correct ring bond data
190: ok 11752 # correct ring bond data
190: ok 11753 # correct ring bond data
190: ok 11754 # correct ring bond data
190: ok 11755 # correct ring bond data
190: ok 11756 # correct ring bond data
190: ok 11757 # SSSR size matches reference
190: ok 11758 # correct SSSR count
190: ok 11759 # ring membership passed
190: ok 11760 # correct SSSR count
190: ok 11761 # ring membership passed
190: ok 11762 # correct SSSR count
190: ok 11763 # ring membership passed
190: ok 11764 # correct SSSR count
190: ok 11765 # ring membership passed
190: ok 11766 # correct SSSR count
190: ok 11767 # ring membership passed
190: ok 11768 # correct SSSR count
190: ok 11769 # ring membership passed
190: ok 11770 # correct SSSR count
190: ok 11771 # ring membership passed
190: ok 11772 # correct SSSR count
190: ok 11773 # ring membership passed
190: ok 11774 # correct SSSR count
190: ok 11775 # ring membership passed
190: ok 11776 # correct SSSR count
190: ok 11777 # ring membership passed
190: ok 11778 # correct SSSR count
190: ok 11779 # ring membership passed
190: ok 11780 # correct SSSR count
190: ok 11781 # ring membership passed
190: ok 11782 # correct SSSR count
190: ok 11783 # ring membership passed
190: ok 11784 # correct SSSR count
190: ok 11785 # ring membership passed
190: ok 11786 # correct SSSR count
190: ok 11787 # ring membership passed
190: ok 11788 # correct SSSR count
190: ok 11789 # ring membership passed
190: ok 11790 # correct SSSR count
190: ok 11791 # ring membership passed
190: ok 11792 # correct SSSR count
190: ok 11793 # ring membership passed
190: ok 11794 # correct SSSR count
190: ok 11795 # ring membership passed
190: ok 11796 # correct SSSR count
190: ok 11797 # ring membership passed
190: ok 11798 # correct SSSR count
190: ok 11799 # ring membership passed
190: ok 11800 # correct SSSR count
190: ok 11801 # ring membership passed
190: ok 11802 # correct SSSR count
190: ok 11803 # ring membership passed
190: ok 11804 # correct SSSR count
190: ok 11805 # ring membership passed
190: ok 11806 # correct SSSR count
190: ok 11807 # ring membership passed
190: ok 11808 # correct SSSR count
190: ok 11809 # ring membership passed
190: ok 11810 # correct ring bond data
190: ok 11811 # correct ring bond data
190: ok 11812 # correct ring bond data
190: ok 11813 # correct ring bond data
190: ok 11814 # correct ring bond data
190: ok 11815 # correct ring bond data
190: ok 11816 # correct ring bond data
190: ok 11817 # correct ring bond data
190: ok 11818 # correct ring bond data
190: ok 11819 # correct ring bond data
190: ok 11820 # correct ring bond data
190: ok 11821 # correct ring bond data
190: ok 11822 # correct ring bond data
190: ok 11823 # correct ring bond data
190: ok 11824 # correct ring bond data
190: ok 11825 # correct ring bond data
190: ok 11826 # correct ring bond data
190: ok 11827 # correct ring bond data
190: ok 11828 # correct ring bond data
190: ok 11829 # correct ring bond data
190: ok 11830 # correct ring bond data
190: ok 11831 # correct ring bond data
190: ok 11832 # correct ring bond data
190: ok 11833 # correct ring bond data
190: ok 11834 # correct ring bond data
190: ok 11835 # correct ring bond data
190: ok 11836 # correct ring bond data
190: ok 11837 # correct ring bond data
190: ok 11838 # correct ring bond data
190: ok 11839 # correct ring bond data
190: ok 11840 # correct ring bond data
190: ok 11841 # SSSR size matches reference
190: ok 11842 # correct SSSR count
190: ok 11843 # ring membership passed
190: ok 11844 # correct SSSR count
190: ok 11845 # ring membership passed
190: ok 11846 # correct SSSR count
190: ok 11847 # ring membership passed
190: ok 11848 # correct SSSR count
190: ok 11849 # ring membership passed
190: ok 11850 # correct SSSR count
190: ok 11851 # ring membership passed
190: ok 11852 # correct SSSR count
190: ok 11853 # ring membership passed
190: ok 11854 # correct SSSR count
190: ok 11855 # ring membership passed
190: ok 11856 # correct SSSR count
190: ok 11857 # ring membership passed
190: ok 11858 # correct SSSR count
190: ok 11859 # ring membership passed
190: ok 11860 # correct SSSR count
190: ok 11861 # ring membership passed
190: ok 11862 # correct SSSR count
190: ok 11863 # ring membership passed
190: ok 11864 # correct SSSR count
190: ok 11865 # ring membership passed
190: ok 11866 # correct SSSR count
190: ok 11867 # ring membership passed
190: ok 11868 # correct SSSR count
190: ok 11869 # ring membership passed
190: ok 11870 # correct SSSR count
190: ok 11871 # ring membership passed
190: ok 11872 # correct SSSR count
190: ok 11873 # ring membership passed
190: ok 11874 # correct SSSR count
190: ok 11875 # ring membership passed
190: ok 11876 # correct SSSR count
190: ok 11877 # ring membership passed
190: ok 11878 # correct SSSR count
190: ok 11879 # ring membership passed
190: ok 11880 # correct SSSR count
190: ok 11881 # ring membership passed
190: ok 11882 # correct SSSR count
190: ok 11883 # ring membership passed
190: ok 11884 # correct SSSR count
190: ok 11885 # ring membership passed
190: ok 11886 # correct SSSR count
190: ok 11887 # ring membership passed
190: ok 11888 # correct SSSR count
190: ok 11889 # ring membership passed
190: ok 11890 # correct SSSR count
190: ok 11891 # ring membership passed
190: ok 11892 # correct SSSR count
190: ok 11893 # ring membership passed
190: ok 11894 # correct SSSR count
190: ok 11895 # ring membership passed
190: ok 11896 # correct SSSR count
190: ok 11897 # ring membership passed
190: ok 11898 # correct SSSR count
190: ok 11899 # ring membership passed
190: ok 11900 # correct ring bond data
190: ok 11901 # correct ring bond data
190: ok 11902 # correct ring bond data
190: ok 11903 # correct ring bond data
190: ok 11904 # correct ring bond data
190: ok 11905 # correct ring bond data
190: ok 11906 # correct ring bond data
190: ok 11907 # correct ring bond data
190: ok 11908 # correct ring bond data
190: ok 11909 # correct ring bond data
190: ok 11910 # correct ring bond data
190: ok 11911 # correct ring bond data
190: ok 11912 # correct ring bond data
190: ok 11913 # correct ring bond data
190: ok 11914 # correct ring bond data
190: ok 11915 # SSSR size matches reference
190: ok 11916 # correct SSSR count
190: ok 11917 # ring membership passed
190: ok 11918 # correct SSSR count
190: ok 11919 # ring membership passed
190: ok 11920 # correct SSSR count
190: ok 11921 # ring membership passed
190: ok 11922 # correct SSSR count
190: ok 11923 # ring membership passed
190: ok 11924 # correct SSSR count
190: ok 11925 # ring membership passed
190: ok 11926 # correct SSSR count
190: ok 11927 # ring membership passed
190: ok 11928 # correct SSSR count
190: ok 11929 # ring membership passed
190: ok 11930 # correct SSSR count
190: ok 11931 # ring membership passed
190: ok 11932 # correct SSSR count
190: ok 11933 # ring membership passed
190: ok 11934 # correct SSSR count
190: ok 11935 # ring membership passed
190: ok 11936 # correct SSSR count
190: ok 11937 # ring membership passed
190: ok 11938 # correct SSSR count
190: ok 11939 # ring membership passed
190: ok 11940 # correct SSSR count
190: ok 11941 # ring membership passed
190: ok 11942 # correct SSSR count
190: ok 11943 # ring membership passed
190: ok 11944 # correct SSSR count
190: ok 11945 # ring membership passed
190: ok 11946 # correct ring bond data
190: ok 11947 # correct ring bond data
190: ok 11948 # correct ring bond data
190: ok 11949 # correct ring bond data
190: ok 11950 # correct ring bond data
190: ok 11951 # correct ring bond data
190: ok 11952 # correct ring bond data
190: ok 11953 # correct ring bond data
190: ok 11954 # correct ring bond data
190: ok 11955 # correct ring bond data
190: ok 11956 # correct ring bond data
190: ok 11957 # correct ring bond data
190: ok 11958 # correct ring bond data
190: ok 11959 # correct ring bond data
190: ok 11960 # correct ring bond data
190: ok 11961 # correct ring bond data
190: ok 11962 # correct ring bond data
190: ok 11963 # correct ring bond data
190: ok 11964 # correct ring bond data
190: ok 11965 # correct ring bond data
190: ok 11966 # correct ring bond data
190: ok 11967 # correct ring bond data
190: ok 11968 # correct ring bond data
190: ok 11969 # correct ring bond data
190: ok 11970 # correct ring bond data
190: ok 11971 # correct ring bond data
190: ok 11972 # correct ring bond data
190: ok 11973 # correct ring bond data
190: ok 11974 # correct ring bond data
190: ok 11975 # correct ring bond data
190: ok 11976 # correct ring bond data
190: ok 11977 # SSSR size matches reference
190: ok 11978 # correct SSSR count
190: ok 11979 # ring membership passed
190: ok 11980 # correct SSSR count
190: ok 11981 # ring membership passed
190: ok 11982 # correct SSSR count
190: ok 11983 # ring membership passed
190: ok 11984 # correct SSSR count
190: ok 11985 # ring membership passed
190: ok 11986 # correct SSSR count
190: ok 11987 # ring membership passed
190: ok 11988 # correct SSSR count
190: ok 11989 # ring membership passed
190: ok 11990 # correct SSSR count
190: ok 11991 # ring membership passed
190: ok 11992 # correct SSSR count
190: ok 11993 # ring membership passed
190: ok 11994 # correct SSSR count
190: ok 11995 # ring membership passed
190: ok 11996 # correct SSSR count
190: ok 11997 # ring membership passed
190: ok 11998 # correct SSSR count
190: ok 11999 # ring membership passed
190: ok 12000 # correct SSSR count
190: ok 12001 # ring membership passed
190: ok 12002 # correct SSSR count
190: ok 12003 # ring membership passed
190: ok 12004 # correct SSSR count
190: ok 12005 # ring membership passed
190: ok 12006 # correct SSSR count
190: ok 12007 # ring membership passed
190: ok 12008 # correct SSSR count
190: ok 12009 # ring membership passed
190: ok 12010 # correct SSSR count
190: ok 12011 # ring membership passed
190: ok 12012 # correct SSSR count
190: ok 12013 # ring membership passed
190: ok 12014 # correct SSSR count
190: ok 12015 # ring membership passed
190: ok 12016 # correct SSSR count
190: ok 12017 # ring membership passed
190: ok 12018 # correct SSSR count
190: ok 12019 # ring membership passed
190: ok 12020 # correct SSSR count
190: ok 12021 # ring membership passed
190: ok 12022 # correct SSSR count
190: ok 12023 # ring membership passed
190: ok 12024 # correct SSSR count
190: ok 12025 # ring membership passed
190: ok 12026 # correct SSSR count
190: ok 12027 # ring membership passed
190: ok 12028 # correct SSSR count
190: ok 12029 # ring membership passed
190: ok 12030 # correct SSSR count
190: ok 12031 # ring membership passed
190: ok 12032 # correct SSSR count
190: ok 12033 # ring membership passed
190: ok 12034 # correct ring bond data
190: ok 12035 # correct ring bond data
190: ok 12036 # correct ring bond data
190: ok 12037 # correct ring bond data
190: ok 12038 # correct ring bond data
190: ok 12039 # correct ring bond data
190: ok 12040 # correct ring bond data
190: ok 12041 # correct ring bond data
190: ok 12042 # correct ring bond data
190: ok 12043 # correct ring bond data
190: ok 12044 # correct ring bond data
190: ok 12045 # correct ring bond data
190: ok 12046 # correct ring bond data
190: ok 12047 # correct ring bond data
190: ok 12048 # correct ring bond data
190: ok 12049 # correct ring bond data
190: ok 12050 # correct ring bond data
190: ok 12051 # SSSR size matches reference
190: ok 12052 # correct SSSR count
190: ok 12053 # ring membership passed
190: ok 12054 # correct SSSR count
190: ok 12055 # ring membership passed
190: ok 12056 # correct SSSR count
190: ok 12057 # ring membership passed
190: ok 12058 # correct SSSR count
190: ok 12059 # ring membership passed
190: ok 12060 # correct SSSR count
190: ok 12061 # ring membership passed
190: ok 12062 # correct SSSR count
190: ok 12063 # ring membership passed
190: ok 12064 # correct SSSR count
190: ok 12065 # ring membership passed
190: ok 12066 # correct SSSR count
190: ok 12067 # ring membership passed
190: ok 12068 # correct SSSR count
190: ok 12069 # ring membership passed
190: ok 12070 # correct SSSR count
190: ok 12071 # ring membership passed
190: ok 12072 # correct SSSR count
190: ok 12073 # ring membership passed
190: ok 12074 # correct SSSR count
190: ok 12075 # ring membership passed
190: ok 12076 # correct SSSR count
190: ok 12077 # ring membership passed
190: ok 12078 # correct SSSR count
190: ok 12079 # ring membership passed
190: ok 12080 # correct SSSR count
190: ok 12081 # ring membership passed
190: ok 12082 # correct SSSR count
190: ok 12083 # ring membership passed
190: ok 12084 # correct SSSR count
190: ok 12085 # ring membership passed
190: ok 12086 # correct ring bond data
190: ok 12087 # correct ring bond data
190: ok 12088 # correct ring bond data
190: ok 12089 # correct ring bond data
190: ok 12090 # correct ring bond data
190: ok 12091 # correct ring bond data
190: ok 12092 # correct ring bond data
190: ok 12093 # correct ring bond data
190: ok 12094 # correct ring bond data
190: ok 12095 # correct ring bond data
190: ok 12096 # correct ring bond data
190: ok 12097 # correct ring bond data
190: ok 12098 # correct ring bond data
190: ok 12099 # correct ring bond data
190: ok 12100 # correct ring bond data
190: ok 12101 # correct ring bond data
190: ok 12102 # correct ring bond data
190: ok 12103 # correct ring bond data
190: ok 12104 # correct ring bond data
190: ok 12105 # correct ring bond data
190: ok 12106 # correct ring bond data
190: ok 12107 # correct ring bond data
190: ok 12108 # correct ring bond data
190: ok 12109 # correct ring bond data
190: ok 12110 # correct ring bond data
190: ok 12111 # correct ring bond data
190: ok 12112 # SSSR size matches reference
190: ok 12113 # correct SSSR count
190: ok 12114 # ring membership passed
190: ok 12115 # correct SSSR count
190: ok 12116 # ring membership passed
190: ok 12117 # correct SSSR count
190: ok 12118 # ring membership passed
190: ok 12119 # correct SSSR count
190: ok 12120 # ring membership passed
190: ok 12121 # correct SSSR count
190: ok 12122 # ring membership passed
190: ok 12123 # correct SSSR count
190: ok 12124 # ring membership passed
190: ok 12125 # correct SSSR count
190: ok 12126 # ring membership passed
190: ok 12127 # correct SSSR count
190: ok 12128 # ring membership passed
190: ok 12129 # correct SSSR count
190: ok 12130 # ring membership passed
190: ok 12131 # correct SSSR count
190: ok 12132 # ring membership passed
190: ok 12133 # correct SSSR count
190: ok 12134 # ring membership passed
190: ok 12135 # correct SSSR count
190: ok 12136 # ring membership passed
190: ok 12137 # correct SSSR count
190: ok 12138 # ring membership passed
190: ok 12139 # correct SSSR count
190: ok 12140 # ring membership passed
190: ok 12141 # correct SSSR count
190: ok 12142 # ring membership passed
190: ok 12143 # correct SSSR count
190: ok 12144 # ring membership passed
190: ok 12145 # correct SSSR count
190: ok 12146 # ring membership passed
190: ok 12147 # correct SSSR count
190: ok 12148 # ring membership passed
190: ok 12149 # correct SSSR count
190: ok 12150 # ring membership passed
190: ok 12151 # correct SSSR count
190: ok 12152 # ring membership passed
190: ok 12153 # correct SSSR count
190: ok 12154 # ring membership passed
190: ok 12155 # correct SSSR count
190: ok 12156 # ring membership passed
190: ok 12157 # correct SSSR count
190: ok 12158 # ring membership passed
190: ok 12159 # correct SSSR count
190: ok 12160 # ring membership passed
190: ok 12161 # correct ring bond data
190: ok 12162 # correct ring bond data
190: ok 12163 # correct ring bond data
190: ok 12164 # correct ring bond data
190: ok 12165 # correct ring bond data
190: ok 12166 # correct ring bond data
190: ok 12167 # correct ring bond data
190: ok 12168 # correct ring bond data
190: ok 12169 # correct ring bond data
190: ok 12170 # correct ring bond data
190: ok 12171 # correct ring bond data
190: ok 12172 # correct ring bond data
190: ok 12173 # correct ring bond data
190: ok 12174 # correct ring bond data
190: ok 12175 # correct ring bond data
190: ok 12176 # correct ring bond data
190: ok 12177 # correct ring bond data
190: ok 12178 # correct ring bond data
190: ok 12179 # correct ring bond data
190: ok 12180 # correct ring bond data
190: ok 12181 # correct ring bond data
190: ok 12182 # correct ring bond data
190: ok 12183 # correct ring bond data
190: ok 12184 # correct ring bond data
190: ok 12185 # correct ring bond data
190: ok 12186 # correct ring bond data
190: ok 12187 # correct ring bond data
190: ok 12188 # correct ring bond data
190: ok 12189 # SSSR size matches reference
190: ok 12190 # correct SSSR count
190: ok 12191 # ring membership passed
190: ok 12192 # correct SSSR count
190: ok 12193 # ring membership passed
190: ok 12194 # correct SSSR count
190: ok 12195 # ring membership passed
190: ok 12196 # correct SSSR count
190: ok 12197 # ring membership passed
190: ok 12198 # correct SSSR count
190: ok 12199 # ring membership passed
190: ok 12200 # correct SSSR count
190: ok 12201 # ring membership passed
190: ok 12202 # correct SSSR count
190: ok 12203 # ring membership passed
190: ok 12204 # correct SSSR count
190: ok 12205 # ring membership passed
190: ok 12206 # correct SSSR count
190: ok 12207 # ring membership passed
190: ok 12208 # correct SSSR count
190: ok 12209 # ring membership passed
190: ok 12210 # correct SSSR count
190: ok 12211 # ring membership passed
190: ok 12212 # correct SSSR count
190: ok 12213 # ring membership passed
190: ok 12214 # correct SSSR count
190: ok 12215 # ring membership passed
190: ok 12216 # correct SSSR count
190: ok 12217 # ring membership passed
190: ok 12218 # correct SSSR count
190: ok 12219 # ring membership passed
190: ok 12220 # correct SSSR count
190: ok 12221 # ring membership passed
190: ok 12222 # correct SSSR count
190: ok 12223 # ring membership passed
190: ok 12224 # correct SSSR count
190: ok 12225 # ring membership passed
190: ok 12226 # correct SSSR count
190: ok 12227 # ring membership passed
190: ok 12228 # correct SSSR count
190: ok 12229 # ring membership passed
190: ok 12230 # correct SSSR count
190: ok 12231 # ring membership passed
190: ok 12232 # correct SSSR count
190: ok 12233 # ring membership passed
190: ok 12234 # correct SSSR count
190: ok 12235 # ring membership passed
190: ok 12236 # correct SSSR count
190: ok 12237 # ring membership passed
190: ok 12238 # correct SSSR count
190: ok 12239 # ring membership passed
190: ok 12240 # correct SSSR count
190: ok 12241 # ring membership passed
190: ok 12242 # correct ring bond data
190: ok 12243 # correct ring bond data
190: ok 12244 # correct ring bond data
190: ok 12245 # correct ring bond data
190: ok 12246 # correct ring bond data
190: ok 12247 # correct ring bond data
190: ok 12248 # correct ring bond data
190: ok 12249 # correct ring bond data
190: ok 12250 # correct ring bond data
190: ok 12251 # SSSR size matches reference
190: ok 12252 # correct SSSR count
190: ok 12253 # ring membership passed
190: ok 12254 # correct SSSR count
190: ok 12255 # ring membership passed
190: ok 12256 # correct SSSR count
190: ok 12257 # ring membership passed
190: ok 12258 # correct SSSR count
190: ok 12259 # ring membership passed
190: ok 12260 # correct SSSR count
190: ok 12261 # ring membership passed
190: ok 12262 # correct SSSR count
190: ok 12263 # ring membership passed
190: ok 12264 # correct SSSR count
190: ok 12265 # ring membership passed
190: ok 12266 # correct SSSR count
190: ok 12267 # ring membership passed
190: ok 12268 # correct SSSR count
190: ok 12269 # ring membership passed
190: ok 12270 # correct ring bond data
190: ok 12271 # correct ring bond data
190: ok 12272 # correct ring bond data
190: ok 12273 # correct ring bond data
190: ok 12274 # correct ring bond data
190: ok 12275 # correct ring bond data
190: ok 12276 # correct ring bond data
190: ok 12277 # correct ring bond data
190: ok 12278 # correct ring bond data
190: ok 12279 # correct ring bond data
190: ok 12280 # correct ring bond data
190: ok 12281 # correct ring bond data
190: ok 12282 # correct ring bond data
190: ok 12283 # correct ring bond data
190: ok 12284 # correct ring bond data
190: ok 12285 # correct ring bond data
190: ok 12286 # correct ring bond data
190: ok 12287 # correct ring bond data
190: ok 12288 # correct ring bond data
190: ok 12289 # correct ring bond data
190: ok 12290 # correct ring bond data
190: ok 12291 # correct ring bond data
190: ok 12292 # SSSR size matches reference
190: ok 12293 # correct SSSR count
190: ok 12294 # ring membership passed
190: ok 12295 # correct SSSR count
190: ok 12296 # ring membership passed
190: ok 12297 # correct SSSR count
190: ok 12298 # ring membership passed
190: ok 12299 # correct SSSR count
190: ok 12300 # ring membership passed
190: ok 12301 # correct SSSR count
190: ok 12302 # ring membership passed
190: ok 12303 # correct SSSR count
190: ok 12304 # ring membership passed
190: ok 12305 # correct SSSR count
190: ok 12306 # ring membership passed
190: ok 12307 # correct SSSR count
190: ok 12308 # ring membership passed
190: ok 12309 # correct SSSR count
190: ok 12310 # ring membership passed
190: ok 12311 # correct SSSR count
190: ok 12312 # ring membership passed
190: ok 12313 # correct SSSR count
190: ok 12314 # ring membership passed
190: ok 12315 # correct SSSR count
190: ok 12316 # ring membership passed
190: ok 12317 # correct SSSR count
190: ok 12318 # ring membership passed
190: ok 12319 # correct SSSR count
190: ok 12320 # ring membership passed
190: ok 12321 # correct SSSR count
190: ok 12322 # ring membership passed
190: ok 12323 # correct SSSR count
190: ok 12324 # ring membership passed
190: ok 12325 # correct SSSR count
190: ok 12326 # ring membership passed
190: ok 12327 # correct SSSR count
190: ok 12328 # ring membership passed
190: ok 12329 # correct SSSR count
190: ok 12330 # ring membership passed
190: ok 12331 # correct SSSR count
190: ok 12332 # ring membership passed
190: ok 12333 # correct SSSR count
190: ok 12334 # ring membership passed
190: ok 12335 # correct ring bond data
190: ok 12336 # correct ring bond data
190: ok 12337 # correct ring bond data
190: ok 12338 # correct ring bond data
190: ok 12339 # correct ring bond data
190: ok 12340 # correct ring bond data
190: ok 12341 # correct ring bond data
190: ok 12342 # correct ring bond data
190: ok 12343 # correct ring bond data
190: ok 12344 # correct ring bond data
190: ok 12345 # correct ring bond data
190: ok 12346 # correct ring bond data
190: ok 12347 # correct ring bond data
190: ok 12348 # correct ring bond data
190: ok 12349 # correct ring bond data
190: ok 12350 # correct ring bond data
190: ok 12351 # correct ring bond data
190: ok 12352 # correct ring bond data
190: ok 12353 # correct ring bond data
190: ok 12354 # correct ring bond data
190: ok 12355 # correct ring bond data
190: ok 12356 # correct ring bond data
190: ok 12357 # correct ring bond data
190: ok 12358 # correct ring bond data
190: ok 12359 # correct ring bond data
190: ok 12360 # correct ring bond data
190: ok 12361 # SSSR size matches reference
190: ok 12362 # correct SSSR count
190: ok 12363 # ring membership passed
190: ok 12364 # correct SSSR count
190: ok 12365 # ring membership passed
190: ok 12366 # correct SSSR count
190: ok 12367 # ring membership passed
190: ok 12368 # correct SSSR count
190: ok 12369 # ring membership passed
190: ok 12370 # correct SSSR count
190: ok 12371 # ring membership passed
190: ok 12372 # correct SSSR count
190: ok 12373 # ring membership passed
190: ok 12374 # correct SSSR count
190: ok 12375 # ring membership passed
190: ok 12376 # correct SSSR count
190: ok 12377 # ring membership passed
190: ok 12378 # correct SSSR count
190: ok 12379 # ring membership passed
190: ok 12380 # correct SSSR count
190: ok 12381 # ring membership passed
190: ok 12382 # correct SSSR count
190: ok 12383 # ring membership passed
190: ok 12384 # correct SSSR count
190: ok 12385 # ring membership passed
190: ok 12386 # correct SSSR count
190: ok 12387 # ring membership passed
190: ok 12388 # correct SSSR count
190: ok 12389 # ring membership passed
190: ok 12390 # correct SSSR count
190: ok 12391 # ring membership passed
190: ok 12392 # correct SSSR count
190: ok 12393 # ring membership passed
190: ok 12394 # correct SSSR count
190: ok 12395 # ring membership passed
190: ok 12396 # correct SSSR count
190: ok 12397 # ring membership passed
190: ok 12398 # correct SSSR count
190: ok 12399 # ring membership passed
190: ok 12400 # correct SSSR count
190: ok 12401 # ring membership passed
190: ok 12402 # correct SSSR count
190: ok 12403 # ring membership passed
190: ok 12404 # correct SSSR count
190: ok 12405 # ring membership passed
190: ok 12406 # correct SSSR count
190: ok 12407 # ring membership passed
190: ok 12408 # correct SSSR count
190: ok 12409 # ring membership passed
190: ok 12410 # correct SSSR count
190: ok 12411 # ring membership passed
190: ok 12412 # correct ring bond data
190: ok 12413 # correct ring bond data
190: ok 12414 # correct ring bond data
190: ok 12415 # correct ring bond data
190: ok 12416 # correct ring bond data
190: ok 12417 # correct ring bond data
190: ok 12418 # correct ring bond data
190: ok 12419 # correct ring bond data
190: ok 12420 # correct ring bond data
190: ok 12421 # correct ring bond data
190: ok 12422 # correct ring bond data
190: ok 12423 # correct ring bond data
190: ok 12424 # correct ring bond data
190: ok 12425 # correct ring bond data
190: ok 12426 # correct ring bond data
190: ok 12427 # correct ring bond data
190: ok 12428 # correct ring bond data
190: ok 12429 # correct ring bond data
190: ok 12430 # correct ring bond data
190: ok 12431 # correct ring bond data
190: ok 12432 # correct ring bond data
190: ok 12433 # correct ring bond data
190: ok 12434 # correct ring bond data
190: ok 12435 # correct ring bond data
190: ok 12436 # correct ring bond data
190: ok 12437 # correct ring bond data
190: ok 12438 # correct ring bond data
190: ok 12439 # correct ring bond data
190: ok 12440 # correct ring bond data
190: ok 12441 # SSSR size matches reference
190: ok 12442 # correct SSSR count
190: ok 12443 # ring membership passed
190: ok 12444 # correct SSSR count
190: ok 12445 # ring membership passed
190: ok 12446 # correct SSSR count
190: ok 12447 # ring membership passed
190: ok 12448 # correct SSSR count
190: ok 12449 # ring membership passed
190: ok 12450 # correct SSSR count
190: ok 12451 # ring membership passed
190: ok 12452 # correct SSSR count
190: ok 12453 # ring membership passed
190: ok 12454 # correct SSSR count
190: ok 12455 # ring membership passed
190: ok 12456 # correct SSSR count
190: ok 12457 # ring membership passed
190: ok 12458 # correct SSSR count
190: ok 12459 # ring membership passed
190: ok 12460 # correct SSSR count
190: ok 12461 # ring membership passed
190: ok 12462 # correct SSSR count
190: ok 12463 # ring membership passed
190: ok 12464 # correct SSSR count
190: ok 12465 # ring membership passed
190: ok 12466 # correct SSSR count
190: ok 12467 # ring membership passed
190: ok 12468 # correct SSSR count
190: ok 12469 # ring membership passed
190: ok 12470 # correct SSSR count
190: ok 12471 # ring membership passed
190: ok 12472 # correct SSSR count
190: ok 12473 # ring membership passed
190: ok 12474 # correct SSSR count
190: ok 12475 # ring membership passed
190: ok 12476 # correct SSSR count
190: ok 12477 # ring membership passed
190: ok 12478 # correct SSSR count
190: ok 12479 # ring membership passed
190: ok 12480 # correct SSSR count
190: ok 12481 # ring membership passed
190: ok 12482 # correct SSSR count
190: ok 12483 # ring membership passed
190: ok 12484 # correct SSSR count
190: ok 12485 # ring membership passed
190: ok 12486 # correct SSSR count
190: ok 12487 # ring membership passed
190: ok 12488 # correct SSSR count
190: ok 12489 # ring membership passed
190: ok 12490 # correct SSSR count
190: ok 12491 # ring membership passed
190: ok 12492 # correct SSSR count
190: ok 12493 # ring membership passed
190: ok 12494 # correct SSSR count
190: ok 12495 # ring membership passed
190: ok 12496 # correct SSSR count
190: ok 12497 # ring membership passed
190: ok 12498 # correct ring bond data
190: ok 12499 # correct ring bond data
190: ok 12500 # correct ring bond data
190: ok 12501 # correct ring bond data
190: ok 12502 # correct ring bond data
190: ok 12503 # correct ring bond data
190: ok 12504 # correct ring bond data
190: ok 12505 # correct ring bond data
190: ok 12506 # correct ring bond data
190: ok 12507 # correct ring bond data
190: ok 12508 # correct ring bond data
190: ok 12509 # correct ring bond data
190: ok 12510 # correct ring bond data
190: ok 12511 # correct ring bond data
190: ok 12512 # correct ring bond data
190: ok 12513 # correct ring bond data
190: ok 12514 # correct ring bond data
190: ok 12515 # correct ring bond data
190: ok 12516 # correct ring bond data
190: ok 12517 # correct ring bond data
190: ok 12518 # correct ring bond data
190: ok 12519 # correct ring bond data
190: ok 12520 # correct ring bond data
190: ok 12521 # correct ring bond data
190: ok 12522 # SSSR size matches reference
190: ok 12523 # correct SSSR count
190: ok 12524 # ring membership passed
190: ok 12525 # correct SSSR count
190: ok 12526 # ring membership passed
190: ok 12527 # correct SSSR count
190: ok 12528 # ring membership passed
190: ok 12529 # correct SSSR count
190: ok 12530 # ring membership passed
190: ok 12531 # correct SSSR count
190: ok 12532 # ring membership passed
190: ok 12533 # correct SSSR count
190: ok 12534 # ring membership passed
190: ok 12535 # correct SSSR count
190: ok 12536 # ring membership passed
190: ok 12537 # correct SSSR count
190: ok 12538 # ring membership passed
190: ok 12539 # correct SSSR count
190: ok 12540 # ring membership passed
190: ok 12541 # correct SSSR count
190: ok 12542 # ring membership passed
190: ok 12543 # correct SSSR count
190: ok 12544 # ring membership passed
190: ok 12545 # correct SSSR count
190: ok 12546 # ring membership passed
190: ok 12547 # correct SSSR count
190: ok 12548 # ring membership passed
190: ok 12549 # correct SSSR count
190: ok 12550 # ring membership passed
190: ok 12551 # correct SSSR count
190: ok 12552 # ring membership passed
190: ok 12553 # correct SSSR count
190: ok 12554 # ring membership passed
190: ok 12555 # correct SSSR count
190: ok 12556 # ring membership passed
190: ok 12557 # correct SSSR count
190: ok 12558 # ring membership passed
190: ok 12559 # correct SSSR count
190: ok 12560 # ring membership passed
190: ok 12561 # correct SSSR count
190: ok 12562 # ring membership passed
190: ok 12563 # correct SSSR count
190: ok 12564 # ring membership passed
190: ok 12565 # correct SSSR count
190: ok 12566 # ring membership passed
190: ok 12567 # correct SSSR count
190: ok 12568 # ring membership passed
190: ok 12569 # correct ring bond data
190: ok 12570 # correct ring bond data
190: ok 12571 # correct ring bond data
190: ok 12572 # correct ring bond data
190: ok 12573 # correct ring bond data
190: ok 12574 # correct ring bond data
190: ok 12575 # correct ring bond data
190: ok 12576 # correct ring bond data
190: ok 12577 # correct ring bond data
190: ok 12578 # correct ring bond data
190: ok 12579 # correct ring bond data
190: ok 12580 # correct ring bond data
190: ok 12581 # correct ring bond data
190: ok 12582 # correct ring bond data
190: ok 12583 # correct ring bond data
190: ok 12584 # SSSR size matches reference
190: ok 12585 # correct SSSR count
190: ok 12586 # ring membership passed
190: ok 12587 # correct SSSR count
190: ok 12588 # ring membership passed
190: ok 12589 # correct SSSR count
190: ok 12590 # ring membership passed
190: ok 12591 # correct SSSR count
190: ok 12592 # ring membership passed
190: ok 12593 # correct SSSR count
190: ok 12594 # ring membership passed
190: ok 12595 # correct SSSR count
190: ok 12596 # ring membership passed
190: ok 12597 # correct SSSR count
190: ok 12598 # ring membership passed
190: ok 12599 # correct SSSR count
190: ok 12600 # ring membership passed
190: ok 12601 # correct SSSR count
190: ok 12602 # ring membership passed
190: ok 12603 # correct SSSR count
190: ok 12604 # ring membership passed
190: ok 12605 # correct SSSR count
190: ok 12606 # ring membership passed
190: ok 12607 # correct SSSR count
190: ok 12608 # ring membership passed
190: ok 12609 # correct SSSR count
190: ok 12610 # ring membership passed
190: ok 12611 # correct SSSR count
190: ok 12612 # ring membership passed
190: ok 12613 # correct SSSR count
190: ok 12614 # ring membership passed
190: ok 12615 # correct ring bond data
190: ok 12616 # correct ring bond data
190: ok 12617 # correct ring bond data
190: ok 12618 # correct ring bond data
190: ok 12619 # correct ring bond data
190: ok 12620 # correct ring bond data
190: ok 12621 # correct ring bond data
190: ok 12622 # correct ring bond data
190: ok 12623 # correct ring bond data
190: ok 12624 # correct ring bond data
190: ok 12625 # correct ring bond data
190: ok 12626 # correct ring bond data
190: ok 12627 # correct ring bond data
190: ok 12628 # correct ring bond data
190: ok 12629 # correct ring bond data
190: ok 12630 # SSSR size matches reference
190: ok 12631 # correct SSSR count
190: ok 12632 # ring membership passed
190: ok 12633 # correct SSSR count
190: ok 12634 # ring membership passed
190: ok 12635 # correct SSSR count
190: ok 12636 # ring membership passed
190: ok 12637 # correct SSSR count
190: ok 12638 # ring membership passed
190: ok 12639 # correct SSSR count
190: ok 12640 # ring membership passed
190: ok 12641 # correct SSSR count
190: ok 12642 # ring membership passed
190: ok 12643 # correct SSSR count
190: ok 12644 # ring membership passed
190: ok 12645 # correct SSSR count
190: ok 12646 # ring membership passed
190: ok 12647 # correct SSSR count
190: ok 12648 # ring membership passed
190: ok 12649 # correct SSSR count
190: ok 12650 # ring membership passed
190: ok 12651 # correct SSSR count
190: ok 12652 # ring membership passed
190: ok 12653 # correct SSSR count
190: ok 12654 # ring membership passed
190: ok 12655 # correct SSSR count
190: ok 12656 # ring membership passed
190: ok 12657 # correct SSSR count
190: ok 12658 # ring membership passed
190: ok 12659 # correct SSSR count
190: ok 12660 # ring membership passed
190: ok 12661 # correct ring bond data
190: ok 12662 # correct ring bond data
190: ok 12663 # correct ring bond data
190: ok 12664 # correct ring bond data
190: ok 12665 # correct ring bond data
190: ok 12666 # correct ring bond data
190: ok 12667 # correct ring bond data
190: ok 12668 # correct ring bond data
190: ok 12669 # correct ring bond data
190: ok 12670 # correct ring bond data
190: ok 12671 # correct ring bond data
190: ok 12672 # correct ring bond data
190: ok 12673 # correct ring bond data
190: ok 12674 # correct ring bond data
190: ok 12675 # correct ring bond data
190: ok 12676 # correct ring bond data
190: ok 12677 # correct ring bond data
190: ok 12678 # correct ring bond data
190: ok 12679 # SSSR size matches reference
190: ok 12680 # correct SSSR count
190: ok 12681 # ring membership passed
190: ok 12682 # correct SSSR count
190: ok 12683 # ring membership passed
190: ok 12684 # correct SSSR count
190: ok 12685 # ring membership passed
190: ok 12686 # correct SSSR count
190: ok 12687 # ring membership passed
190: ok 12688 # correct SSSR count
190: ok 12689 # ring membership passed
190: ok 12690 # correct SSSR count
190: ok 12691 # ring membership passed
190: ok 12692 # correct SSSR count
190: ok 12693 # ring membership passed
190: ok 12694 # correct SSSR count
190: ok 12695 # ring membership passed
190: ok 12696 # correct SSSR count
190: ok 12697 # ring membership passed
190: ok 12698 # correct SSSR count
190: ok 12699 # ring membership passed
190: ok 12700 # correct SSSR count
190: ok 12701 # ring membership passed
190: ok 12702 # correct SSSR count
190: ok 12703 # ring membership passed
190: ok 12704 # correct SSSR count
190: ok 12705 # ring membership passed
190: ok 12706 # correct SSSR count
190: ok 12707 # ring membership passed
190: ok 12708 # correct SSSR count
190: ok 12709 # ring membership passed
190: ok 12710 # correct SSSR count
190: ok 12711 # ring membership passed
190: ok 12712 # correct SSSR count
190: ok 12713 # ring membership passed
190: ok 12714 # correct ring bond data
190: ok 12715 # correct ring bond data
190: ok 12716 # correct ring bond data
190: ok 12717 # correct ring bond data
190: ok 12718 # correct ring bond data
190: ok 12719 # correct ring bond data
190: ok 12720 # correct ring bond data
190: ok 12721 # correct ring bond data
190: ok 12722 # correct ring bond data
190: ok 12723 # correct ring bond data
190: ok 12724 # correct ring bond data
190: ok 12725 # correct ring bond data
190: ok 12726 # correct ring bond data
190: ok 12727 # correct ring bond data
190: ok 12728 # SSSR size matches reference
190: ok 12729 # correct SSSR count
190: ok 12730 # ring membership passed
190: ok 12731 # correct SSSR count
190: ok 12732 # ring membership passed
190: ok 12733 # correct SSSR count
190: ok 12734 # ring membership passed
190: ok 12735 # correct SSSR count
190: ok 12736 # ring membership passed
190: ok 12737 # correct SSSR count
190: ok 12738 # ring membership passed
190: ok 12739 # correct SSSR count
190: ok 12740 # ring membership passed
190: ok 12741 # correct SSSR count
190: ok 12742 # ring membership passed
190: ok 12743 # correct SSSR count
190: ok 12744 # ring membership passed
190: ok 12745 # correct SSSR count
190: ok 12746 # ring membership passed
190: ok 12747 # correct SSSR count
190: ok 12748 # ring membership passed
190: ok 12749 # correct SSSR count
190: ok 12750 # ring membership passed
190: ok 12751 # correct SSSR count
190: ok 12752 # ring membership passed
190: ok 12753 # correct SSSR count
190: ok 12754 # ring membership passed
190: ok 12755 # correct SSSR count
190: ok 12756 # ring membership passed
190: ok 12757 # correct ring bond data
190: ok 12758 # correct ring bond data
190: ok 12759 # correct ring bond data
190: ok 12760 # correct ring bond data
190: ok 12761 # correct ring bond data
190: ok 12762 # correct ring bond data
190: ok 12763 # correct ring bond data
190: ok 12764 # correct ring bond data
190: ok 12765 # SSSR size matches reference
190: ok 12766 # correct SSSR count
190: ok 12767 # ring membership passed
190: ok 12768 # correct SSSR count
190: ok 12769 # ring membership passed
190: ok 12770 # correct SSSR count
190: ok 12771 # ring membership passed
190: ok 12772 # correct SSSR count
190: ok 12773 # ring membership passed
190: ok 12774 # correct SSSR count
190: ok 12775 # ring membership passed
190: ok 12776 # correct SSSR count
190: ok 12777 # ring membership passed
190: ok 12778 # correct SSSR count
190: ok 12779 # ring membership passed
190: ok 12780 # correct SSSR count
190: ok 12781 # ring membership passed
190: ok 12782 # correct ring bond data
190: ok 12783 # correct ring bond data
190: ok 12784 # correct ring bond data
190: ok 12785 # correct ring bond data
190: ok 12786 # correct ring bond data
190: ok 12787 # correct ring bond data
190: ok 12788 # correct ring bond data
190: ok 12789 # correct ring bond data
190: ok 12790 # correct ring bond data
190: ok 12791 # correct ring bond data
190: ok 12792 # SSSR size matches reference
190: ok 12793 # correct SSSR count
190: ok 12794 # ring membership passed
190: ok 12795 # correct SSSR count
190: ok 12796 # ring membership passed
190: ok 12797 # correct SSSR count
190: ok 12798 # ring membership passed
190: ok 12799 # correct SSSR count
190: ok 12800 # ring membership passed
190: ok 12801 # correct SSSR count
190: ok 12802 # ring membership passed
190: ok 12803 # correct SSSR count
190: ok 12804 # ring membership passed
190: ok 12805 # correct SSSR count
190: ok 12806 # ring membership passed
190: ok 12807 # correct SSSR count
190: ok 12808 # ring membership passed
190: ok 12809 # correct SSSR count
190: ok 12810 # ring membership passed
190: ok 12811 # correct SSSR count
190: ok 12812 # ring membership passed
190: ok 12813 # correct ring bond data
190: ok 12814 # correct ring bond data
190: ok 12815 # correct ring bond data
190: ok 12816 # correct ring bond data
190: ok 12817 # correct ring bond data
190: ok 12818 # correct ring bond data
190: ok 12819 # correct ring bond data
190: ok 12820 # correct ring bond data
190: ok 12821 # correct ring bond data
190: ok 12822 # correct ring bond data
190: ok 12823 # correct ring bond data
190: ok 12824 # correct ring bond data
190: ok 12825 # correct ring bond data
190: ok 12826 # SSSR size matches reference
190: ok 12827 # correct SSSR count
190: ok 12828 # ring membership passed
190: ok 12829 # correct SSSR count
190: ok 12830 # ring membership passed
190: ok 12831 # correct SSSR count
190: ok 12832 # ring membership passed
190: ok 12833 # correct SSSR count
190: ok 12834 # ring membership passed
190: ok 12835 # correct SSSR count
190: ok 12836 # ring membership passed
190: ok 12837 # correct SSSR count
190: ok 12838 # ring membership passed
190: ok 12839 # correct SSSR count
190: ok 12840 # ring membership passed
190: ok 12841 # correct SSSR count
190: ok 12842 # ring membership passed
190: ok 12843 # correct SSSR count
190: ok 12844 # ring membership passed
190: ok 12845 # correct SSSR count
190: ok 12846 # ring membership passed
190: ok 12847 # correct SSSR count
190: ok 12848 # ring membership passed
190: ok 12849 # correct SSSR count
190: ok 12850 # ring membership passed
190: ok 12851 # correct SSSR count
190: ok 12852 # ring membership passed
190: ok 12853 # correct ring bond data
190: ok 12854 # correct ring bond data
190: ok 12855 # correct ring bond data
190: ok 12856 # correct ring bond data
190: ok 12857 # correct ring bond data
190: ok 12858 # correct ring bond data
190: ok 12859 # correct ring bond data
190: ok 12860 # correct ring bond data
190: ok 12861 # correct ring bond data
190: ok 12862 # SSSR size matches reference
190: ok 12863 # correct SSSR count
190: ok 12864 # ring membership passed
190: ok 12865 # correct SSSR count
190: ok 12866 # ring membership passed
190: ok 12867 # correct SSSR count
190: ok 12868 # ring membership passed
190: ok 12869 # correct SSSR count
190: ok 12870 # ring membership passed
190: ok 12871 # correct SSSR count
190: ok 12872 # ring membership passed
190: ok 12873 # correct SSSR count
190: ok 12874 # ring membership passed
190: ok 12875 # correct SSSR count
190: ok 12876 # ring membership passed
190: ok 12877 # correct SSSR count
190: ok 12878 # ring membership passed
190: ok 12879 # correct SSSR count
190: ok 12880 # ring membership passed
190: ok 12881 # correct ring bond data
190: ok 12882 # correct ring bond data
190: ok 12883 # correct ring bond data
190: ok 12884 # correct ring bond data
190: ok 12885 # correct ring bond data
190: ok 12886 # correct ring bond data
190: ok 12887 # correct ring bond data
190: ok 12888 # SSSR size matches reference
190: ok 12889 # correct SSSR count
190: ok 12890 # ring membership passed
190: ok 12891 # correct SSSR count
190: ok 12892 # ring membership passed
190: ok 12893 # correct SSSR count
190: ok 12894 # ring membership passed
190: ok 12895 # correct SSSR count
190: ok 12896 # ring membership passed
190: ok 12897 # correct SSSR count
190: ok 12898 # ring membership passed
190: ok 12899 # correct SSSR count
190: ok 12900 # ring membership passed
190: ok 12901 # correct SSSR count
190: ok 12902 # ring membership passed
190: ok 12903 # correct SSSR count
190: ok 12904 # ring membership passed
190: ok 12905 # correct ring bond data
190: ok 12906 # correct ring bond data
190: ok 12907 # correct ring bond data
190: ok 12908 # correct ring bond data
190: ok 12909 # correct ring bond data
190: ok 12910 # correct ring bond data
190: ok 12911 # correct ring bond data
190: ok 12912 # correct ring bond data
190: ok 12913 # correct ring bond data
190: ok 12914 # SSSR size matches reference
190: ok 12915 # correct SSSR count
190: ok 12916 # ring membership passed
190: ok 12917 # correct SSSR count
190: ok 12918 # ring membership passed
190: ok 12919 # correct SSSR count
190: ok 12920 # ring membership passed
190: ok 12921 # correct SSSR count
190: ok 12922 # ring membership passed
190: ok 12923 # correct SSSR count
190: ok 12924 # ring membership passed
190: ok 12925 # correct SSSR count
190: ok 12926 # ring membership passed
190: ok 12927 # correct SSSR count
190: ok 12928 # ring membership passed
190: ok 12929 # correct SSSR count
190: ok 12930 # ring membership passed
190: ok 12931 # correct SSSR count
190: ok 12932 # ring membership passed
190: ok 12933 # correct SSSR count
190: ok 12934 # ring membership passed
190: ok 12935 # correct ring bond data
190: ok 12936 # correct ring bond data
190: ok 12937 # correct ring bond data
190: ok 12938 # correct ring bond data
190: ok 12939 # correct ring bond data
190: ok 12940 # correct ring bond data
190: ok 12941 # correct ring bond data
190: ok 12942 # correct ring bond data
190: ok 12943 # correct ring bond data
190: ok 12944 # correct ring bond data
190: ok 12945 # correct ring bond data
190: ok 12946 # correct ring bond data
190: ok 12947 # SSSR size matches reference
190: ok 12948 # correct SSSR count
190: ok 12949 # ring membership passed
190: ok 12950 # correct SSSR count
190: ok 12951 # ring membership passed
190: ok 12952 # correct SSSR count
190: ok 12953 # ring membership passed
190: ok 12954 # correct SSSR count
190: ok 12955 # ring membership passed
190: ok 12956 # correct SSSR count
190: ok 12957 # ring membership passed
190: ok 12958 # correct SSSR count
190: ok 12959 # ring membership passed
190: ok 12960 # correct SSSR count
190: ok 12961 # ring membership passed
190: ok 12962 # correct SSSR count
190: ok 12963 # ring membership passed
190: ok 12964 # correct SSSR count
190: ok 12965 # ring membership passed
190: ok 12966 # correct SSSR count
190: ok 12967 # ring membership passed
190: ok 12968 # correct SSSR count
190: ok 12969 # ring membership passed
190: ok 12970 # correct SSSR count
190: ok 12971 # ring membership passed
190: ok 12972 # correct SSSR count
190: ok 12973 # ring membership passed
190: ok 12974 # correct ring bond data
190: ok 12975 # correct ring bond data
190: ok 12976 # correct ring bond data
190: ok 12977 # correct ring bond data
190: ok 12978 # correct ring bond data
190: ok 12979 # correct ring bond data
190: ok 12980 # correct ring bond data
190: ok 12981 # correct ring bond data
190: ok 12982 # correct ring bond data
190: ok 12983 # correct ring bond data
190: ok 12984 # correct ring bond data
190: ok 12985 # correct ring bond data
190: ok 12986 # correct ring bond data
190: ok 12987 # correct ring bond data
190: ok 12988 # correct ring bond data
190: ok 12989 # correct ring bond data
190: ok 12990 # correct ring bond data
190: ok 12991 # correct ring bond data
190: ok 12992 # correct ring bond data
190: ok 12993 # correct ring bond data
190: ok 12994 # correct ring bond data
190: ok 12995 # correct ring bond data
190: ok 12996 # correct ring bond data
190: ok 12997 # SSSR size matches reference
190: ok 12998 # correct SSSR count
190: ok 12999 # ring membership passed
190: ok 13000 # correct SSSR count
190: ok 13001 # ring membership passed
190: ok 13002 # correct SSSR count
190: ok 13003 # ring membership passed
190: ok 13004 # correct SSSR count
190: ok 13005 # ring membership passed
190: ok 13006 # correct SSSR count
190: ok 13007 # ring membership passed
190: ok 13008 # correct SSSR count
190: ok 13009 # ring membership passed
190: ok 13010 # correct SSSR count
190: ok 13011 # ring membership passed
190: ok 13012 # correct SSSR count
190: ok 13013 # ring membership passed
190: ok 13014 # correct SSSR count
190: ok 13015 # ring membership passed
190: ok 13016 # correct SSSR count
190: ok 13017 # ring membership passed
190: ok 13018 # correct SSSR count
190: ok 13019 # ring membership passed
190: ok 13020 # correct SSSR count
190: ok 13021 # ring membership passed
190: ok 13022 # correct SSSR count
190: ok 13023 # ring membership passed
190: ok 13024 # correct SSSR count
190: ok 13025 # ring membership passed
190: ok 13026 # correct SSSR count
190: ok 13027 # ring membership passed
190: ok 13028 # correct SSSR count
190: ok 13029 # ring membership passed
190: ok 13030 # correct SSSR count
190: ok 13031 # ring membership passed
190: ok 13032 # correct SSSR count
190: ok 13033 # ring membership passed
190: ok 13034 # correct SSSR count
190: ok 13035 # ring membership passed
190: ok 13036 # correct SSSR count
190: ok 13037 # ring membership passed
190: ok 13038 # correct SSSR count
190: ok 13039 # ring membership passed
190: ok 13040 # correct ring bond data
190: ok 13041 # correct ring bond data
190: ok 13042 # correct ring bond data
190: ok 13043 # correct ring bond data
190: ok 13044 # correct ring bond data
190: ok 13045 # correct ring bond data
190: ok 13046 # correct ring bond data
190: ok 13047 # correct ring bond data
190: ok 13048 # correct ring bond data
190: ok 13049 # correct ring bond data
190: ok 13050 # correct ring bond data
190: ok 13051 # correct ring bond data
190: ok 13052 # SSSR size matches reference
190: ok 13053 # correct SSSR count
190: ok 13054 # ring membership passed
190: ok 13055 # correct SSSR count
190: ok 13056 # ring membership passed
190: ok 13057 # correct SSSR count
190: ok 13058 # ring membership passed
190: ok 13059 # correct SSSR count
190: ok 13060 # ring membership passed
190: ok 13061 # correct SSSR count
190: ok 13062 # ring membership passed
190: ok 13063 # correct SSSR count
190: ok 13064 # ring membership passed
190: ok 13065 # correct SSSR count
190: ok 13066 # ring membership passed
190: ok 13067 # correct SSSR count
190: ok 13068 # ring membership passed
190: ok 13069 # correct SSSR count
190: ok 13070 # ring membership passed
190: ok 13071 # correct SSSR count
190: ok 13072 # ring membership passed
190: ok 13073 # correct SSSR count
190: ok 13074 # ring membership passed
190: ok 13075 # correct SSSR count
190: ok 13076 # ring membership passed
190: ok 13077 # correct ring bond data
190: ok 13078 # correct ring bond data
190: ok 13079 # correct ring bond data
190: ok 13080 # correct ring bond data
190: ok 13081 # correct ring bond data
190: ok 13082 # correct ring bond data
190: ok 13083 # correct ring bond data
190: ok 13084 # correct ring bond data
190: ok 13085 # correct ring bond data
190: ok 13086 # correct ring bond data
190: ok 13087 # correct ring bond data
190: ok 13088 # correct ring bond data
190: ok 13089 # correct ring bond data
190: ok 13090 # correct ring bond data
190: ok 13091 # correct ring bond data
190: ok 13092 # correct ring bond data
190: ok 13093 # correct ring bond data
190: ok 13094 # correct ring bond data
190: ok 13095 # correct ring bond data
190: ok 13096 # correct ring bond data
190: ok 13097 # correct ring bond data
190: ok 13098 # correct ring bond data
190: ok 13099 # SSSR size matches reference
190: ok 13100 # correct SSSR count
190: ok 13101 # ring membership passed
190: ok 13102 # correct SSSR count
190: ok 13103 # ring membership passed
190: ok 13104 # correct SSSR count
190: ok 13105 # ring membership passed
190: ok 13106 # correct SSSR count
190: ok 13107 # ring membership passed
190: ok 13108 # correct SSSR count
190: ok 13109 # ring membership passed
190: ok 13110 # correct SSSR count
190: ok 13111 # ring membership passed
190: ok 13112 # correct SSSR count
190: ok 13113 # ring membership passed
190: ok 13114 # correct SSSR count
190: ok 13115 # ring membership passed
190: ok 13116 # correct SSSR count
190: ok 13117 # ring membership passed
190: ok 13118 # correct SSSR count
190: ok 13119 # ring membership passed
190: ok 13120 # correct SSSR count
190: ok 13121 # ring membership passed
190: ok 13122 # correct SSSR count
190: ok 13123 # ring membership passed
190: ok 13124 # correct SSSR count
190: ok 13125 # ring membership passed
190: ok 13126 # correct SSSR count
190: ok 13127 # ring membership passed
190: ok 13128 # correct SSSR count
190: ok 13129 # ring membership passed
190: ok 13130 # correct SSSR count
190: ok 13131 # ring membership passed
190: ok 13132 # correct SSSR count
190: ok 13133 # ring membership passed
190: ok 13134 # correct SSSR count
190: ok 13135 # ring membership passed
190: ok 13136 # correct SSSR count
190: ok 13137 # ring membership passed
190: ok 13138 # correct ring bond data
190: ok 13139 # correct ring bond data
190: ok 13140 # correct ring bond data
190: ok 13141 # correct ring bond data
190: ok 13142 # correct ring bond data
190: ok 13143 # correct ring bond data
190: ok 13144 # correct ring bond data
190: ok 13145 # correct ring bond data
190: ok 13146 # correct ring bond data
190: ok 13147 # correct ring bond data
190: ok 13148 # SSSR size matches reference
190: ok 13149 # correct SSSR count
190: ok 13150 # ring membership passed
190: ok 13151 # correct SSSR count
190: ok 13152 # ring membership passed
190: ok 13153 # correct SSSR count
190: ok 13154 # ring membership passed
190: ok 13155 # correct SSSR count
190: ok 13156 # ring membership passed
190: ok 13157 # correct SSSR count
190: ok 13158 # ring membership passed
190: ok 13159 # correct SSSR count
190: ok 13160 # ring membership passed
190: ok 13161 # correct SSSR count
190: ok 13162 # ring membership passed
190: ok 13163 # correct SSSR count
190: ok 13164 # ring membership passed
190: ok 13165 # correct SSSR count
190: ok 13166 # ring membership passed
190: ok 13167 # correct SSSR count
190: ok 13168 # ring membership passed
190: ok 13169 # correct ring bond data
190: ok 13170 # correct ring bond data
190: ok 13171 # correct ring bond data
190: ok 13172 # correct ring bond data
190: ok 13173 # correct ring bond data
190: ok 13174 # correct ring bond data
190: ok 13175 # correct ring bond data
190: ok 13176 # correct ring bond data
190: ok 13177 # correct ring bond data
190: ok 13178 # correct ring bond data
190: ok 13179 # correct ring bond data
190: ok 13180 # correct ring bond data
190: ok 13181 # correct ring bond data
190: ok 13182 # correct ring bond data
190: ok 13183 # correct ring bond data
190: ok 13184 # correct ring bond data
190: ok 13185 # correct ring bond data
190: ok 13186 # correct ring bond data
190: ok 13187 # correct ring bond data
190: ok 13188 # correct ring bond data
190: ok 13189 # correct ring bond data
190: ok 13190 # correct ring bond data
190: ok 13191 # correct ring bond data
190: ok 13192 # correct ring bond data
190: ok 13193 # correct ring bond data
190: ok 13194 # correct ring bond data
190: ok 13195 # correct ring bond data
190: ok 13196 # correct ring bond data
190: ok 13197 # correct ring bond data
190: ok 13198 # correct ring bond data
190: ok 13199 # correct ring bond data
190: ok 13200 # correct ring bond data
190: ok 13201 # correct ring bond data
190: ok 13202 # correct ring bond data
190: ok 13203 # correct ring bond data
190: ok 13204 # correct ring bond data
190: ok 13205 # correct ring bond data
190: ok 13206 # correct ring bond data
190: ok 13207 # correct ring bond data
190: ok 13208 # correct ring bond data
190: ok 13209 # correct ring bond data
190: ok 13210 # correct ring bond data
190: ok 13211 # correct ring bond data
190: ok 13212 # correct ring bond data
190: ok 13213 # correct ring bond data
190: ok 13214 # correct ring bond data
190: ok 13215 # correct ring bond data
190: ok 13216 # correct ring bond data
190: ok 13217 # correct ring bond data
190: ok 13218 # correct ring bond data
190: ok 13219 # correct ring bond data
190: ok 13220 # correct ring bond data
190: ok 13221 # correct ring bond data
190: ok 13222 # correct ring bond data
190: ok 13223 # correct ring bond data
190: ok 13224 # correct ring bond data
190: ok 13225 # SSSR size matches reference
190: ok 13226 # correct SSSR count
190: ok 13227 # ring membership passed
190: ok 13228 # correct SSSR count
190: ok 13229 # ring membership passed
190: ok 13230 # correct SSSR count
190: ok 13231 # ring membership passed
190: ok 13232 # correct SSSR count
190: ok 13233 # ring membership passed
190: ok 13234 # correct SSSR count
190: ok 13235 # ring membership passed
190: ok 13236 # correct SSSR count
190: ok 13237 # ring membership passed
190: ok 13238 # correct SSSR count
190: ok 13239 # ring membership passed
190: ok 13240 # correct SSSR count
190: ok 13241 # ring membership passed
190: ok 13242 # correct SSSR count
190: ok 13243 # ring membership passed
190: ok 13244 # correct SSSR count
190: ok 13245 # ring membership passed
190: ok 13246 # correct SSSR count
190: ok 13247 # ring membership passed
190: ok 13248 # correct SSSR count
190: ok 13249 # ring membership passed
190: ok 13250 # correct SSSR count
190: ok 13251 # ring membership passed
190: ok 13252 # correct SSSR count
190: ok 13253 # ring membership passed
190: ok 13254 # correct SSSR count
190: ok 13255 # ring membership passed
190: ok 13256 # correct SSSR count
190: ok 13257 # ring membership passed
190: ok 13258 # correct SSSR count
190: ok 13259 # ring membership passed
190: ok 13260 # correct SSSR count
190: ok 13261 # ring membership passed
190: ok 13262 # correct SSSR count
190: ok 13263 # ring membership passed
190: ok 13264 # correct SSSR count
190: ok 13265 # ring membership passed
190: ok 13266 # correct SSSR count
190: ok 13267 # ring membership passed
190: ok 13268 # correct SSSR count
190: ok 13269 # ring membership passed
190: ok 13270 # correct SSSR count
190: ok 13271 # ring membership passed
190: ok 13272 # correct SSSR count
190: ok 13273 # ring membership passed
190: ok 13274 # correct SSSR count
190: ok 13275 # ring membership passed
190: ok 13276 # correct SSSR count
190: ok 13277 # ring membership passed
190: ok 13278 # correct SSSR count
190: ok 13279 # ring membership passed
190: ok 13280 # correct SSSR count
190: ok 13281 # ring membership passed
190: ok 13282 # correct SSSR count
190: ok 13283 # ring membership passed
190: ok 13284 # correct SSSR count
190: ok 13285 # ring membership passed
190: ok 13286 # correct SSSR count
190: ok 13287 # ring membership passed
190: ok 13288 # correct SSSR count
190: ok 13289 # ring membership passed
190: ok 13290 # correct SSSR count
190: ok 13291 # ring membership passed
190: ok 13292 # correct SSSR count
190: ok 13293 # ring membership passed
190: ok 13294 # correct SSSR count
190: ok 13295 # ring membership passed
190: ok 13296 # correct SSSR count
190: ok 13297 # ring membership passed
190: ok 13298 # correct SSSR count
190: ok 13299 # ring membership passed
190: ok 13300 # correct SSSR count
190: ok 13301 # ring membership passed
190: ok 13302 # correct SSSR count
190: ok 13303 # ring membership passed
190: ok 13304 # correct SSSR count
190: ok 13305 # ring membership passed
190: ok 13306 # correct SSSR count
190: ok 13307 # ring membership passed
190: ok 13308 # correct SSSR count
190: ok 13309 # ring membership passed
190: ok 13310 # correct SSSR count
190: ok 13311 # ring membership passed
190: ok 13312 # correct SSSR count
190: ok 13313 # ring membership passed
190: ok 13314 # correct SSSR count
190: ok 13315 # ring membership passed
190: ok 13316 # correct SSSR count
190: ok 13317 # ring membership passed
190: ok 13318 # correct SSSR count
190: ok 13319 # ring membership passed
190: ok 13320 # correct SSSR count
190: ok 13321 # ring membership passed
190: ok 13322 # correct SSSR count
190: ok 13323 # ring membership passed
190: ok 13324 # correct SSSR count
190: ok 13325 # ring membership passed
190: ok 13326 # correct SSSR count
190: ok 13327 # ring membership passed
190: ok 13328 # correct ring bond data
190: ok 13329 # correct ring bond data
190: ok 13330 # correct ring bond data
190: ok 13331 # correct ring bond data
190: ok 13332 # correct ring bond data
190: ok 13333 # correct ring bond data
190: ok 13334 # correct ring bond data
190: ok 13335 # correct ring bond data
190: ok 13336 # correct ring bond data
190: ok 13337 # correct ring bond data
190: ok 13338 # SSSR size matches reference
190: ok 13339 # correct SSSR count
190: ok 13340 # ring membership passed
190: ok 13341 # correct SSSR count
190: ok 13342 # ring membership passed
190: ok 13343 # correct SSSR count
190: ok 13344 # ring membership passed
190: ok 13345 # correct SSSR count
190: ok 13346 # ring membership passed
190: ok 13347 # correct SSSR count
190: ok 13348 # ring membership passed
190: ok 13349 # correct SSSR count
190: ok 13350 # ring membership passed
190: ok 13351 # correct SSSR count
190: ok 13352 # ring membership passed
190: ok 13353 # correct SSSR count
190: ok 13354 # ring membership passed
190: ok 13355 # correct SSSR count
190: ok 13356 # ring membership passed
190: ok 13357 # correct SSSR count
190: ok 13358 # ring membership passed
190: ok 13359 # correct ring bond data
190: ok 13360 # correct ring bond data
190: ok 13361 # correct ring bond data
190: ok 13362 # correct ring bond data
190: ok 13363 # correct ring bond data
190: ok 13364 # correct ring bond data
190: ok 13365 # correct ring bond data
190: ok 13366 # correct ring bond data
190: ok 13367 # correct ring bond data
190: ok 13368 # correct ring bond data
190: ok 13369 # correct ring bond data
190: ok 13370 # correct ring bond data
190: ok 13371 # correct ring bond data
190: ok 13372 # correct ring bond data
190: ok 13373 # correct ring bond data
190: ok 13374 # correct ring bond data
190: ok 13375 # correct ring bond data
190: ok 13376 # correct ring bond data
190: ok 13377 # correct ring bond data
190: ok 13378 # correct ring bond data
190: ok 13379 # correct ring bond data
190: ok 13380 # correct ring bond data
190: ok 13381 # correct ring bond data
190: ok 13382 # correct ring bond data
190: ok 13383 # correct ring bond data
190: ok 13384 # correct ring bond data
190: ok 13385 # correct ring bond data
190: ok 13386 # correct ring bond data
190: ok 13387 # correct ring bond data
190: ok 13388 # correct ring bond data
190: ok 13389 # correct ring bond data
190: ok 13390 # correct ring bond data
190: ok 13391 # correct ring bond data
190: ok 13392 # correct ring bond data
190: ok 13393 # correct ring bond data
190: ok 13394 # correct ring bond data
190: ok 13395 # correct ring bond data
190: ok 13396 # correct ring bond data
190: ok 13397 # correct ring bond data
190: ok 13398 # correct ring bond data
190: ok 13399 # correct ring bond data
190: ok 13400 # correct ring bond data
190: ok 13401 # correct ring bond data
190: ok 13402 # correct ring bond data
190: ok 13403 # SSSR size matches reference
190: ok 13404 # correct SSSR count
190: ok 13405 # ring membership passed
190: ok 13406 # correct SSSR count
190: ok 13407 # ring membership passed
190: ok 13408 # correct SSSR count
190: ok 13409 # ring membership passed
190: ok 13410 # correct SSSR count
190: ok 13411 # ring membership passed
190: ok 13412 # correct SSSR count
190: ok 13413 # ring membership passed
190: ok 13414 # correct SSSR count
190: ok 13415 # ring membership passed
190: ok 13416 # correct SSSR count
190: ok 13417 # ring membership passed
190: ok 13418 # correct SSSR count
190: ok 13419 # ring membership passed
190: ok 13420 # correct SSSR count
190: ok 13421 # ring membership passed
190: ok 13422 # correct SSSR count
190: ok 13423 # ring membership passed
190: ok 13424 # correct SSSR count
190: ok 13425 # ring membership passed
190: ok 13426 # correct SSSR count
190: ok 13427 # ring membership passed
190: ok 13428 # correct SSSR count
190: ok 13429 # ring membership passed
190: ok 13430 # correct SSSR count
190: ok 13431 # ring membership passed
190: ok 13432 # correct SSSR count
190: ok 13433 # ring membership passed
190: ok 13434 # correct SSSR count
190: ok 13435 # ring membership passed
190: ok 13436 # correct SSSR count
190: ok 13437 # ring membership passed
190: ok 13438 # correct SSSR count
190: ok 13439 # ring membership passed
190: ok 13440 # correct SSSR count
190: ok 13441 # ring membership passed
190: ok 13442 # correct SSSR count
190: ok 13443 # ring membership passed
190: ok 13444 # correct SSSR count
190: ok 13445 # ring membership passed
190: ok 13446 # correct SSSR count
190: ok 13447 # ring membership passed
190: ok 13448 # correct SSSR count
190: ok 13449 # ring membership passed
190: ok 13450 # correct SSSR count
190: ok 13451 # ring membership passed
190: ok 13452 # correct SSSR count
190: ok 13453 # ring membership passed
190: ok 13454 # correct SSSR count
190: ok 13455 # ring membership passed
190: ok 13456 # correct SSSR count
190: ok 13457 # ring membership passed
190: ok 13458 # correct SSSR count
190: ok 13459 # ring membership passed
190: ok 13460 # correct SSSR count
190: ok 13461 # ring membership passed
190: ok 13462 # correct SSSR count
190: ok 13463 # ring membership passed
190: ok 13464 # correct SSSR count
190: ok 13465 # ring membership passed
190: ok 13466 # correct SSSR count
190: ok 13467 # ring membership passed
190: ok 13468 # correct SSSR count
190: ok 13469 # ring membership passed
190: ok 13470 # correct SSSR count
190: ok 13471 # ring membership passed
190: ok 13472 # correct SSSR count
190: ok 13473 # ring membership passed
190: ok 13474 # correct SSSR count
190: ok 13475 # ring membership passed
190: ok 13476 # correct SSSR count
190: ok 13477 # ring membership passed
190: ok 13478 # correct SSSR count
190: ok 13479 # ring membership passed
190: ok 13480 # correct SSSR count
190: ok 13481 # ring membership passed
190: ok 13482 # correct SSSR count
190: ok 13483 # ring membership passed
190: ok 13484 # correct SSSR count
190: ok 13485 # ring membership passed
190: ok 13486 # correct ring bond data
190: ok 13487 # correct ring bond data
190: ok 13488 # correct ring bond data
190: ok 13489 # correct ring bond data
190: ok 13490 # correct ring bond data
190: ok 13491 # correct ring bond data
190: ok 13492 # correct ring bond data
190: ok 13493 # correct ring bond data
190: ok 13494 # correct ring bond data
190: ok 13495 # correct ring bond data
190: ok 13496 # correct ring bond data
190: ok 13497 # correct ring bond data
190: ok 13498 # correct ring bond data
190: ok 13499 # correct ring bond data
190: ok 13500 # correct ring bond data
190: ok 13501 # correct ring bond data
190: ok 13502 # correct ring bond data
190: ok 13503 # correct ring bond data
190: ok 13504 # correct ring bond data
190: ok 13505 # correct ring bond data
190: ok 13506 # correct ring bond data
190: ok 13507 # correct ring bond data
190: ok 13508 # correct ring bond data
190: ok 13509 # correct ring bond data
190: ok 13510 # correct ring bond data
190: ok 13511 # correct ring bond data
190: ok 13512 # correct ring bond data
190: ok 13513 # correct ring bond data
190: ok 13514 # correct ring bond data
190: ok 13515 # correct ring bond data
190: ok 13516 # correct ring bond data
190: ok 13517 # correct ring bond data
190: ok 13518 # correct ring bond data
190: ok 13519 # correct ring bond data
190: ok 13520 # correct ring bond data
190: ok 13521 # correct ring bond data
190: ok 13522 # correct ring bond data
190: ok 13523 # correct ring bond data
190: ok 13524 # SSSR size matches reference
190: ok 13525 # correct SSSR count
190: ok 13526 # ring membership passed
190: ok 13527 # correct SSSR count
190: ok 13528 # ring membership passed
190: ok 13529 # correct SSSR count
190: ok 13530 # ring membership passed
190: ok 13531 # correct SSSR count
190: ok 13532 # ring membership passed
190: ok 13533 # correct SSSR count
190: ok 13534 # ring membership passed
190: ok 13535 # correct SSSR count
190: ok 13536 # ring membership passed
190: ok 13537 # correct SSSR count
190: ok 13538 # ring membership passed
190: ok 13539 # correct SSSR count
190: ok 13540 # ring membership passed
190: ok 13541 # correct SSSR count
190: ok 13542 # ring membership passed
190: ok 13543 # correct SSSR count
190: ok 13544 # ring membership passed
190: ok 13545 # correct SSSR count
190: ok 13546 # ring membership passed
190: ok 13547 # correct SSSR count
190: ok 13548 # ring membership passed
190: ok 13549 # correct SSSR count
190: ok 13550 # ring membership passed
190: ok 13551 # correct SSSR count
190: ok 13552 # ring membership passed
190: ok 13553 # correct SSSR count
190: ok 13554 # ring membership passed
190: ok 13555 # correct SSSR count
190: ok 13556 # ring membership passed
190: ok 13557 # correct SSSR count
190: ok 13558 # ring membership passed
190: ok 13559 # correct SSSR count
190: ok 13560 # ring membership passed
190: ok 13561 # correct SSSR count
190: ok 13562 # ring membership passed
190: ok 13563 # correct SSSR count
190: ok 13564 # ring membership passed
190: ok 13565 # correct SSSR count
190: ok 13566 # ring membership passed
190: ok 13567 # correct SSSR count
190: ok 13568 # ring membership passed
190: ok 13569 # correct SSSR count
190: ok 13570 # ring membership passed
190: ok 13571 # correct SSSR count
190: ok 13572 # ring membership passed
190: ok 13573 # correct SSSR count
190: ok 13574 # ring membership passed
190: ok 13575 # correct SSSR count
190: ok 13576 # ring membership passed
190: ok 13577 # correct SSSR count
190: ok 13578 # ring membership passed
190: ok 13579 # correct SSSR count
190: ok 13580 # ring membership passed
190: ok 13581 # correct SSSR count
190: ok 13582 # ring membership passed
190: ok 13583 # correct SSSR count
190: ok 13584 # ring membership passed
190: ok 13585 # correct SSSR count
190: ok 13586 # ring membership passed
190: ok 13587 # correct SSSR count
190: ok 13588 # ring membership passed
190: ok 13589 # correct SSSR count
190: ok 13590 # ring membership passed
190: ok 13591 # correct SSSR count
190: ok 13592 # ring membership passed
190: ok 13593 # correct SSSR count
190: ok 13594 # ring membership passed
190: ok 13595 # correct SSSR count
190: ok 13596 # ring membership passed
190: ok 13597 # correct ring bond data
190: ok 13598 # correct ring bond data
190: ok 13599 # correct ring bond data
190: ok 13600 # correct ring bond data
190: ok 13601 # correct ring bond data
190: ok 13602 # correct ring bond data
190: ok 13603 # correct ring bond data
190: ok 13604 # correct ring bond data
190: ok 13605 # correct ring bond data
190: ok 13606 # correct ring bond data
190: ok 13607 # correct ring bond data
190: ok 13608 # correct ring bond data
190: ok 13609 # correct ring bond data
190: ok 13610 # correct ring bond data
190: ok 13611 # correct ring bond data
190: ok 13612 # correct ring bond data
190: ok 13613 # correct ring bond data
190: ok 13614 # correct ring bond data
190: ok 13615 # correct ring bond data
190: ok 13616 # correct ring bond data
190: ok 13617 # correct ring bond data
190: ok 13618 # correct ring bond data
190: ok 13619 # correct ring bond data
190: ok 13620 # correct ring bond data
190: ok 13621 # correct ring bond data
190: ok 13622 # correct ring bond data
190: ok 13623 # correct ring bond data
190: ok 13624 # correct ring bond data
190: ok 13625 # correct ring bond data
190: ok 13626 # correct ring bond data
190: ok 13627 # correct ring bond data
190: ok 13628 # correct ring bond data
190: ok 13629 # correct ring bond data
190: ok 13630 # correct ring bond data
190: ok 13631 # correct ring bond data
190: ok 13632 # correct ring bond data
190: ok 13633 # correct ring bond data
190: ok 13634 # correct ring bond data
190: ok 13635 # correct ring bond data
190: ok 13636 # correct ring bond data
190: ok 13637 # correct ring bond data
190: ok 13638 # correct ring bond data
190: ok 13639 # correct ring bond data
190: ok 13640 # correct ring bond data
190: ok 13641 # SSSR size matches reference
190: ok 13642 # correct SSSR count
190: ok 13643 # ring membership passed
190: ok 13644 # correct SSSR count
190: ok 13645 # ring membership passed
190: ok 13646 # correct SSSR count
190: ok 13647 # ring membership passed
190: ok 13648 # correct SSSR count
190: ok 13649 # ring membership passed
190: ok 13650 # correct SSSR count
190: ok 13651 # ring membership passed
190: ok 13652 # correct SSSR count
190: ok 13653 # ring membership passed
190: ok 13654 # correct SSSR count
190: ok 13655 # ring membership passed
190: ok 13656 # correct SSSR count
190: ok 13657 # ring membership passed
190: ok 13658 # correct SSSR count
190: ok 13659 # ring membership passed
190: ok 13660 # correct SSSR count
190: ok 13661 # ring membership passed
190: ok 13662 # correct SSSR count
190: ok 13663 # ring membership passed
190: ok 13664 # correct SSSR count
190: ok 13665 # ring membership passed
190: ok 13666 # correct SSSR count
190: ok 13667 # ring membership passed
190: ok 13668 # correct SSSR count
190: ok 13669 # ring membership passed
190: ok 13670 # correct SSSR count
190: ok 13671 # ring membership passed
190: ok 13672 # correct SSSR count
190: ok 13673 # ring membership passed
190: ok 13674 # correct SSSR count
190: ok 13675 # ring membership passed
190: ok 13676 # correct SSSR count
190: ok 13677 # ring membership passed
190: ok 13678 # correct SSSR count
190: ok 13679 # ring membership passed
190: ok 13680 # correct SSSR count
190: ok 13681 # ring membership passed
190: ok 13682 # correct SSSR count
190: ok 13683 # ring membership passed
190: ok 13684 # correct SSSR count
190: ok 13685 # ring membership passed
190: ok 13686 # correct SSSR count
190: ok 13687 # ring membership passed
190: ok 13688 # correct SSSR count
190: ok 13689 # ring membership passed
190: ok 13690 # correct SSSR count
190: ok 13691 # ring membership passed
190: ok 13692 # correct SSSR count
190: ok 13693 # ring membership passed
190: ok 13694 # correct SSSR count
190: ok 13695 # ring membership passed
190: ok 13696 # correct SSSR count
190: ok 13697 # ring membership passed
190: ok 13698 # correct SSSR count
190: ok 13699 # ring membership passed
190: ok 13700 # correct SSSR count
190: ok 13701 # ring membership passed
190: ok 13702 # correct SSSR count
190: ok 13703 # ring membership passed
190: ok 13704 # correct SSSR count
190: ok 13705 # ring membership passed
190: ok 13706 # correct SSSR count
190: ok 13707 # ring membership passed
190: ok 13708 # correct SSSR count
190: ok 13709 # ring membership passed
190: ok 13710 # correct SSSR count
190: ok 13711 # ring membership passed
190: ok 13712 # correct SSSR count
190: ok 13713 # ring membership passed
190: ok 13714 # correct SSSR count
190: ok 13715 # ring membership passed
190: ok 13716 # correct SSSR count
190: ok 13717 # ring membership passed
190: ok 13718 # correct SSSR count
190: ok 13719 # ring membership passed
190: ok 13720 # correct SSSR count
190: ok 13721 # ring membership passed
190: ok 13722 # correct ring bond data
190: ok 13723 # correct ring bond data
190: ok 13724 # correct ring bond data
190: ok 13725 # correct ring bond data
190: ok 13726 # correct ring bond data
190: ok 13727 # correct ring bond data
190: ok 13728 # correct ring bond data
190: ok 13729 # SSSR size matches reference
190: ok 13730 # correct SSSR count
190: ok 13731 # ring membership passed
190: ok 13732 # correct SSSR count
190: ok 13733 # ring membership passed
190: ok 13734 # correct SSSR count
190: ok 13735 # ring membership passed
190: ok 13736 # correct SSSR count
190: ok 13737 # ring membership passed
190: ok 13738 # correct SSSR count
190: ok 13739 # ring membership passed
190: ok 13740 # correct SSSR count
190: ok 13741 # ring membership passed
190: ok 13742 # correct SSSR count
190: ok 13743 # ring membership passed
190: ok 13744 # correct SSSR count
190: ok 13745 # ring membership passed
190: ok 13746 # correct ring bond data
190: ok 13747 # correct ring bond data
190: ok 13748 # correct ring bond data
190: ok 13749 # correct ring bond data
190: ok 13750 # correct ring bond data
190: ok 13751 # correct ring bond data
190: ok 13752 # correct ring bond data
190: ok 13753 # correct ring bond data
190: ok 13754 # correct ring bond data
190: ok 13755 # correct ring bond data
190: ok 13756 # correct ring bond data
190: ok 13757 # correct ring bond data
190: ok 13758 # correct ring bond data
190: ok 13759 # correct ring bond data
190: ok 13760 # correct ring bond data
190: ok 13761 # correct ring bond data
190: ok 13762 # correct ring bond data
190: ok 13763 # SSSR size matches reference
190: ok 13764 # correct SSSR count
190: ok 13765 # ring membership passed
190: ok 13766 # correct SSSR count
190: ok 13767 # ring membership passed
190: ok 13768 # correct SSSR count
190: ok 13769 # ring membership passed
190: ok 13770 # correct SSSR count
190: ok 13771 # ring membership passed
190: ok 13772 # correct SSSR count
190: ok 13773 # ring membership passed
190: ok 13774 # correct SSSR count
190: ok 13775 # ring membership passed
190: ok 13776 # correct SSSR count
190: ok 13777 # ring membership passed
190: ok 13778 # correct SSSR count
190: ok 13779 # ring membership passed
190: ok 13780 # correct SSSR count
190: ok 13781 # ring membership passed
190: ok 13782 # correct SSSR count
190: ok 13783 # ring membership passed
190: ok 13784 # correct SSSR count
190: ok 13785 # ring membership passed
190: ok 13786 # correct SSSR count
190: ok 13787 # ring membership passed
190: ok 13788 # correct SSSR count
190: ok 13789 # ring membership passed
190: ok 13790 # correct SSSR count
190: ok 13791 # ring membership passed
190: ok 13792 # correct SSSR count
190: ok 13793 # ring membership passed
190: ok 13794 # correct SSSR count
190: ok 13795 # ring membership passed
190: ok 13796 # correct ring bond data
190: ok 13797 # correct ring bond data
190: ok 13798 # correct ring bond data
190: ok 13799 # correct ring bond data
190: ok 13800 # correct ring bond data
190: ok 13801 # correct ring bond data
190: ok 13802 # correct ring bond data
190: ok 13803 # correct ring bond data
190: ok 13804 # correct ring bond data
190: ok 13805 # correct ring bond data
190: ok 13806 # SSSR size matches reference
190: ok 13807 # correct SSSR count
190: ok 13808 # ring membership passed
190: ok 13809 # correct SSSR count
190: ok 13810 # ring membership passed
190: ok 13811 # correct SSSR count
190: ok 13812 # ring membership passed
190: ok 13813 # correct SSSR count
190: ok 13814 # ring membership passed
190: ok 13815 # correct SSSR count
190: ok 13816 # ring membership passed
190: ok 13817 # correct SSSR count
190: ok 13818 # ring membership passed
190: ok 13819 # correct SSSR count
190: ok 13820 # ring membership passed
190: ok 13821 # correct SSSR count
190: ok 13822 # ring membership passed
190: ok 13823 # correct SSSR count
190: ok 13824 # ring membership passed
190: ok 13825 # correct SSSR count
190: ok 13826 # ring membership passed
190: ok 13827 # correct ring bond data
190: ok 13828 # correct ring bond data
190: ok 13829 # correct ring bond data
190: ok 13830 # correct ring bond data
190: ok 13831 # correct ring bond data
190: ok 13832 # correct ring bond data
190: ok 13833 # correct ring bond data
190: ok 13834 # correct ring bond data
190: ok 13835 # correct ring bond data
190: ok 13836 # correct ring bond data
190: ok 13837 # correct ring bond data
190: ok 13838 # correct ring bond data
190: ok 13839 # correct ring bond data
190: ok 13840 # correct ring bond data
190: ok 13841 # correct ring bond data
190: ok 13842 # correct ring bond data
190: ok 13843 # correct ring bond data
190: ok 13844 # SSSR size matches reference
190: ok 13845 # correct SSSR count
190: ok 13846 # ring membership passed
190: ok 13847 # correct SSSR count
190: ok 13848 # ring membership passed
190: ok 13849 # correct SSSR count
190: ok 13850 # ring membership passed
190: ok 13851 # correct SSSR count
190: ok 13852 # ring membership passed
190: ok 13853 # correct SSSR count
190: ok 13854 # ring membership passed
190: ok 13855 # correct SSSR count
190: ok 13856 # ring membership passed
190: ok 13857 # correct SSSR count
190: ok 13858 # ring membership passed
190: ok 13859 # correct SSSR count
190: ok 13860 # ring membership passed
190: ok 13861 # correct SSSR count
190: ok 13862 # ring membership passed
190: ok 13863 # correct SSSR count
190: ok 13864 # ring membership passed
190: ok 13865 # correct SSSR count
190: ok 13866 # ring membership passed
190: ok 13867 # correct SSSR count
190: ok 13868 # ring membership passed
190: ok 13869 # correct SSSR count
190: ok 13870 # ring membership passed
190: ok 13871 # correct SSSR count
190: ok 13872 # ring membership passed
190: ok 13873 # correct SSSR count
190: ok 13874 # ring membership passed
190: ok 13875 # correct SSSR count
190: ok 13876 # ring membership passed
190: ok 13877 # correct ring bond data
190: ok 13878 # correct ring bond data
190: ok 13879 # correct ring bond data
190: ok 13880 # correct ring bond data
190: ok 13881 # correct ring bond data
190: ok 13882 # correct ring bond data
190: ok 13883 # correct ring bond data
190: ok 13884 # correct ring bond data
190: ok 13885 # correct ring bond data
190: ok 13886 # correct ring bond data
190: ok 13887 # correct ring bond data
190: ok 13888 # correct ring bond data
190: ok 13889 # correct ring bond data
190: ok 13890 # correct ring bond data
190: ok 13891 # correct ring bond data
190: ok 13892 # correct ring bond data
190: ok 13893 # correct ring bond data
190: ok 13894 # correct ring bond data
190: ok 13895 # correct ring bond data
190: ok 13896 # correct ring bond data
190: ok 13897 # correct ring bond data
190: ok 13898 # SSSR size matches reference
190: ok 13899 # correct SSSR count
190: ok 13900 # ring membership passed
190: ok 13901 # correct SSSR count
190: ok 13902 # ring membership passed
190: ok 13903 # correct SSSR count
190: ok 13904 # ring membership passed
190: ok 13905 # correct SSSR count
190: ok 13906 # ring membership passed
190: ok 13907 # correct SSSR count
190: ok 13908 # ring membership passed
190: ok 13909 # correct SSSR count
190: ok 13910 # ring membership passed
190: ok 13911 # correct SSSR count
190: ok 13912 # ring membership passed
190: ok 13913 # correct SSSR count
190: ok 13914 # ring membership passed
190: ok 13915 # correct SSSR count
190: ok 13916 # ring membership passed
190: ok 13917 # correct SSSR count
190: ok 13918 # ring membership passed
190: ok 13919 # correct SSSR count
190: ok 13920 # ring membership passed
190: ok 13921 # correct SSSR count
190: ok 13922 # ring membership passed
190: ok 13923 # correct SSSR count
190: ok 13924 # ring membership passed
190: ok 13925 # correct SSSR count
190: ok 13926 # ring membership passed
190: ok 13927 # correct SSSR count
190: ok 13928 # ring membership passed
190: ok 13929 # correct SSSR count
190: ok 13930 # ring membership passed
190: ok 13931 # correct SSSR count
190: ok 13932 # ring membership passed
190: ok 13933 # correct SSSR count
190: ok 13934 # ring membership passed
190: ok 13935 # correct SSSR count
190: ok 13936 # ring membership passed
190: ok 13937 # correct ring bond data
190: ok 13938 # correct ring bond data
190: ok 13939 # correct ring bond data
190: ok 13940 # correct ring bond data
190: ok 13941 # correct ring bond data
190: ok 13942 # correct ring bond data
190: ok 13943 # correct ring bond data
190: ok 13944 # correct ring bond data
190: ok 13945 # correct ring bond data
190: ok 13946 # correct ring bond data
190: ok 13947 # correct ring bond data
190: ok 13948 # correct ring bond data
190: ok 13949 # correct ring bond data
190: ok 13950 # correct ring bond data
190: ok 13951 # correct ring bond data
190: ok 13952 # SSSR size matches reference
190: ok 13953 # correct SSSR count
190: ok 13954 # ring membership passed
190: ok 13955 # correct SSSR count
190: ok 13956 # ring membership passed
190: ok 13957 # correct SSSR count
190: ok 13958 # ring membership passed
190: ok 13959 # correct SSSR count
190: ok 13960 # ring membership passed
190: ok 13961 # correct SSSR count
190: ok 13962 # ring membership passed
190: ok 13963 # correct SSSR count
190: ok 13964 # ring membership passed
190: ok 13965 # correct SSSR count
190: ok 13966 # ring membership passed
190: ok 13967 # correct SSSR count
190: ok 13968 # ring membership passed
190: ok 13969 # correct SSSR count
190: ok 13970 # ring membership passed
190: ok 13971 # correct SSSR count
190: ok 13972 # ring membership passed
190: ok 13973 # correct SSSR count
190: ok 13974 # ring membership passed
190: ok 13975 # correct SSSR count
190: ok 13976 # ring membership passed
190: ok 13977 # correct SSSR count
190: ok 13978 # ring membership passed
190: ok 13979 # correct SSSR count
190: ok 13980 # ring membership passed
190: ok 13981 # correct ring bond data
190: ok 13982 # correct ring bond data
190: ok 13983 # correct ring bond data
190: ok 13984 # correct ring bond data
190: ok 13985 # correct ring bond data
190: ok 13986 # correct ring bond data
190: ok 13987 # correct ring bond data
190: ok 13988 # correct ring bond data
190: ok 13989 # correct ring bond data
190: ok 13990 # correct ring bond data
190: ok 13991 # correct ring bond data
190: ok 13992 # SSSR size matches reference
190: ok 13993 # correct SSSR count
190: ok 13994 # ring membership passed
190: ok 13995 # correct SSSR count
190: ok 13996 # ring membership passed
190: ok 13997 # correct SSSR count
190: ok 13998 # ring membership passed
190: ok 13999 # correct SSSR count
190: ok 14000 # ring membership passed
190: ok 14001 # correct SSSR count
190: ok 14002 # ring membership passed
190: ok 14003 # correct SSSR count
190: ok 14004 # ring membership passed
190: ok 14005 # correct SSSR count
190: ok 14006 # ring membership passed
190: ok 14007 # correct SSSR count
190: ok 14008 # ring membership passed
190: ok 14009 # correct SSSR count
190: ok 14010 # ring membership passed
190: ok 14011 # correct SSSR count
190: ok 14012 # ring membership passed
190: ok 14013 # correct SSSR count
190: ok 14014 # ring membership passed
190: ok 14015 # correct ring bond data
190: ok 14016 # correct ring bond data
190: ok 14017 # correct ring bond data
190: ok 14018 # correct ring bond data
190: ok 14019 # correct ring bond data
190: ok 14020 # correct ring bond data
190: ok 14021 # correct ring bond data
190: ok 14022 # correct ring bond data
190: ok 14023 # correct ring bond data
190: ok 14024 # correct ring bond data
190: ok 14025 # correct ring bond data
190: ok 14026 # correct ring bond data
190: ok 14027 # correct ring bond data
190: ok 14028 # correct ring bond data
190: ok 14029 # correct ring bond data
190: ok 14030 # correct ring bond data
190: ok 14031 # correct ring bond data
190: ok 14032 # correct ring bond data
190: ok 14033 # correct ring bond data
190: ok 14034 # correct ring bond data
190: ok 14035 # correct ring bond data
190: ok 14036 # correct ring bond data
190: ok 14037 # SSSR size matches reference
190: ok 14038 # correct SSSR count
190: ok 14039 # ring membership passed
190: ok 14040 # correct SSSR count
190: ok 14041 # ring membership passed
190: ok 14042 # correct SSSR count
190: ok 14043 # ring membership passed
190: ok 14044 # correct SSSR count
190: ok 14045 # ring membership passed
190: ok 14046 # correct SSSR count
190: ok 14047 # ring membership passed
190: ok 14048 # correct SSSR count
190: ok 14049 # ring membership passed
190: ok 14050 # correct SSSR count
190: ok 14051 # ring membership passed
190: ok 14052 # correct SSSR count
190: ok 14053 # ring membership passed
190: ok 14054 # correct SSSR count
190: ok 14055 # ring membership passed
190: ok 14056 # correct SSSR count
190: ok 14057 # ring membership passed
190: ok 14058 # correct SSSR count
190: ok 14059 # ring membership passed
190: ok 14060 # correct SSSR count
190: ok 14061 # ring membership passed
190: ok 14062 # correct SSSR count
190: ok 14063 # ring membership passed
190: ok 14064 # correct SSSR count
190: ok 14065 # ring membership passed
190: ok 14066 # correct SSSR count
190: ok 14067 # ring membership passed
190: ok 14068 # correct SSSR count
190: ok 14069 # ring membership passed
190: ok 14070 # correct SSSR count
190: ok 14071 # ring membership passed
190: ok 14072 # correct SSSR count
190: ok 14073 # ring membership passed
190: ok 14074 # correct SSSR count
190: ok 14075 # ring membership passed
190: ok 14076 # correct ring bond data
190: ok 14077 # correct ring bond data
190: ok 14078 # correct ring bond data
190: ok 14079 # correct ring bond data
190: ok 14080 # correct ring bond data
190: ok 14081 # correct ring bond data
190: ok 14082 # correct ring bond data
190: ok 14083 # correct ring bond data
190: ok 14084 # correct ring bond data
190: ok 14085 # correct ring bond data
190: ok 14086 # correct ring bond data
190: ok 14087 # correct ring bond data
190: ok 14088 # correct ring bond data
190: ok 14089 # correct ring bond data
190: ok 14090 # correct ring bond data
190: ok 14091 # correct ring bond data
190: ok 14092 # correct ring bond data
190: ok 14093 # correct ring bond data
190: ok 14094 # correct ring bond data
190: ok 14095 # correct ring bond data
190: ok 14096 # correct ring bond data
190: ok 14097 # correct ring bond data
190: ok 14098 # correct ring bond data
190: ok 14099 # correct ring bond data
190: ok 14100 # correct ring bond data
190: ok 14101 # correct ring bond data
190: ok 14102 # correct ring bond data
190: ok 14103 # correct ring bond data
190: ok 14104 # correct ring bond data
190: ok 14105 # correct ring bond data
190: ok 14106 # correct ring bond data
190: ok 14107 # SSSR size matches reference
190: ok 14108 # correct SSSR count
190: ok 14109 # ring membership passed
190: ok 14110 # correct SSSR count
190: ok 14111 # ring membership passed
190: ok 14112 # correct SSSR count
190: ok 14113 # ring membership passed
190: ok 14114 # correct SSSR count
190: ok 14115 # ring membership passed
190: ok 14116 # correct SSSR count
190: ok 14117 # ring membership passed
190: ok 14118 # correct SSSR count
190: ok 14119 # ring membership passed
190: ok 14120 # correct SSSR count
190: ok 14121 # ring membership passed
190: ok 14122 # correct SSSR count
190: ok 14123 # ring membership passed
190: ok 14124 # correct SSSR count
190: ok 14125 # ring membership passed
190: ok 14126 # correct SSSR count
190: ok 14127 # ring membership passed
190: ok 14128 # correct SSSR count
190: ok 14129 # ring membership passed
190: ok 14130 # correct SSSR count
190: ok 14131 # ring membership passed
190: ok 14132 # correct SSSR count
190: ok 14133 # ring membership passed
190: ok 14134 # correct SSSR count
190: ok 14135 # ring membership passed
190: ok 14136 # correct SSSR count
190: ok 14137 # ring membership passed
190: ok 14138 # correct SSSR count
190: ok 14139 # ring membership passed
190: ok 14140 # correct SSSR count
190: ok 14141 # ring membership passed
190: ok 14142 # correct SSSR count
190: ok 14143 # ring membership passed
190: ok 14144 # correct SSSR count
190: ok 14145 # ring membership passed
190: ok 14146 # correct SSSR count
190: ok 14147 # ring membership passed
190: ok 14148 # correct SSSR count
190: ok 14149 # ring membership passed
190: ok 14150 # correct SSSR count
190: ok 14151 # ring membership passed
190: ok 14152 # correct SSSR count
190: ok 14153 # ring membership passed
190: ok 14154 # correct SSSR count
190: ok 14155 # ring membership passed
190: ok 14156 # correct SSSR count
190: ok 14157 # ring membership passed
190: ok 14158 # correct SSSR count
190: ok 14159 # ring membership passed
190: ok 14160 # correct SSSR count
190: ok 14161 # ring membership passed
190: ok 14162 # correct SSSR count
190: ok 14163 # ring membership passed
190: ok 14164 # correct ring bond data
190: ok 14165 # correct ring bond data
190: ok 14166 # correct ring bond data
190: ok 14167 # correct ring bond data
190: ok 14168 # correct ring bond data
190: ok 14169 # correct ring bond data
190: ok 14170 # correct ring bond data
190: ok 14171 # correct ring bond data
190: ok 14172 # correct ring bond data
190: ok 14173 # correct ring bond data
190: ok 14174 # correct ring bond data
190: ok 14175 # correct ring bond data
190: ok 14176 # correct ring bond data
190: ok 14177 # correct ring bond data
190: ok 14178 # correct ring bond data
190: ok 14179 # correct ring bond data
190: ok 14180 # correct ring bond data
190: ok 14181 # correct ring bond data
190: ok 14182 # correct ring bond data
190: ok 14183 # correct ring bond data
190: ok 14184 # correct ring bond data
190: ok 14185 # correct ring bond data
190: ok 14186 # correct ring bond data
190: ok 14187 # SSSR size matches reference
190: ok 14188 # correct SSSR count
190: ok 14189 # ring membership passed
190: ok 14190 # correct SSSR count
190: ok 14191 # ring membership passed
190: ok 14192 # correct SSSR count
190: ok 14193 # ring membership passed
190: ok 14194 # correct SSSR count
190: ok 14195 # ring membership passed
190: ok 14196 # correct SSSR count
190: ok 14197 # ring membership passed
190: ok 14198 # correct SSSR count
190: ok 14199 # ring membership passed
190: ok 14200 # correct SSSR count
190: ok 14201 # ring membership passed
190: ok 14202 # correct SSSR count
190: ok 14203 # ring membership passed
190: ok 14204 # correct SSSR count
190: ok 14205 # ring membership passed
190: ok 14206 # correct SSSR count
190: ok 14207 # ring membership passed
190: ok 14208 # correct SSSR count
190: ok 14209 # ring membership passed
190: ok 14210 # correct SSSR count
190: ok 14211 # ring membership passed
190: ok 14212 # correct SSSR count
190: ok 14213 # ring membership passed
190: ok 14214 # correct SSSR count
190: ok 14215 # ring membership passed
190: ok 14216 # correct SSSR count
190: ok 14217 # ring membership passed
190: ok 14218 # correct SSSR count
190: ok 14219 # ring membership passed
190: ok 14220 # correct SSSR count
190: ok 14221 # ring membership passed
190: ok 14222 # correct SSSR count
190: ok 14223 # ring membership passed
190: ok 14224 # correct SSSR count
190: ok 14225 # ring membership passed
190: ok 14226 # correct SSSR count
190: ok 14227 # ring membership passed
190: ok 14228 # correct SSSR count
190: ok 14229 # ring membership passed
190: ok 14230 # correct SSSR count
190: ok 14231 # ring membership passed
190: ok 14232 # correct ring bond data
190: ok 14233 # correct ring bond data
190: ok 14234 # correct ring bond data
190: ok 14235 # correct ring bond data
190: ok 14236 # correct ring bond data
190: ok 14237 # correct ring bond data
190: ok 14238 # correct ring bond data
190: ok 14239 # correct ring bond data
190: ok 14240 # correct ring bond data
190: ok 14241 # correct ring bond data
190: ok 14242 # correct ring bond data
190: ok 14243 # correct ring bond data
190: ok 14244 # correct ring bond data
190: ok 14245 # correct ring bond data
190: ok 14246 # correct ring bond data
190: ok 14247 # correct ring bond data
190: ok 14248 # SSSR size matches reference
190: ok 14249 # correct SSSR count
190: ok 14250 # ring membership passed
190: ok 14251 # correct SSSR count
190: ok 14252 # ring membership passed
190: ok 14253 # correct SSSR count
190: ok 14254 # ring membership passed
190: ok 14255 # correct SSSR count
190: ok 14256 # ring membership passed
190: ok 14257 # correct SSSR count
190: ok 14258 # ring membership passed
190: ok 14259 # correct SSSR count
190: ok 14260 # ring membership passed
190: ok 14261 # correct SSSR count
190: ok 14262 # ring membership passed
190: ok 14263 # correct SSSR count
190: ok 14264 # ring membership passed
190: ok 14265 # correct SSSR count
190: ok 14266 # ring membership passed
190: ok 14267 # correct SSSR count
190: ok 14268 # ring membership passed
190: ok 14269 # correct SSSR count
190: ok 14270 # ring membership passed
190: ok 14271 # correct SSSR count
190: ok 14272 # ring membership passed
190: ok 14273 # correct SSSR count
190: ok 14274 # ring membership passed
190: ok 14275 # correct SSSR count
190: ok 14276 # ring membership passed
190: ok 14277 # correct SSSR count
190: ok 14278 # ring membership passed
190: ok 14279 # correct ring bond data
190: ok 14280 # correct ring bond data
190: ok 14281 # correct ring bond data
190: ok 14282 # correct ring bond data
190: ok 14283 # correct ring bond data
190: ok 14284 # correct ring bond data
190: ok 14285 # correct ring bond data
190: ok 14286 # correct ring bond data
190: ok 14287 # correct ring bond data
190: ok 14288 # correct ring bond data
190: ok 14289 # correct ring bond data
190: ok 14290 # correct ring bond data
190: ok 14291 # correct ring bond data
190: ok 14292 # correct ring bond data
190: ok 14293 # correct ring bond data
190: ok 14294 # correct ring bond data
190: ok 14295 # correct ring bond data
190: ok 14296 # correct ring bond data
190: ok 14297 # correct ring bond data
190: ok 14298 # correct ring bond data
190: ok 14299 # correct ring bond data
190: ok 14300 # correct ring bond data
190: ok 14301 # correct ring bond data
190: ok 14302 # correct ring bond data
190: ok 14303 # correct ring bond data
190: ok 14304 # correct ring bond data
190: ok 14305 # correct ring bond data
190: ok 14306 # correct ring bond data
190: ok 14307 # correct ring bond data
190: ok 14308 # correct ring bond data
190: ok 14309 # correct ring bond data
190: ok 14310 # correct ring bond data
190: ok 14311 # correct ring bond data
190: ok 14312 # correct ring bond data
190: ok 14313 # correct ring bond data
190: ok 14314 # correct ring bond data
190: ok 14315 # correct ring bond data
190: ok 14316 # correct ring bond data
190: ok 14317 # correct ring bond data
190: ok 14318 # correct ring bond data
190: ok 14319 # correct ring bond data
190: ok 14320 # correct ring bond data
190: ok 14321 # correct ring bond data
190: ok 14322 # correct ring bond data
190: ok 14323 # correct ring bond data
190: ok 14324 # correct ring bond data
190: ok 14325 # correct ring bond data
190: ok 14326 # SSSR size matches reference
190: ok 14327 # correct SSSR count
190: ok 14328 # ring membership passed
190: ok 14329 # correct SSSR count
190: ok 14330 # ring membership passed
190: ok 14331 # correct SSSR count
190: ok 14332 # ring membership passed
190: ok 14333 # correct SSSR count
190: ok 14334 # ring membership passed
190: ok 14335 # correct SSSR count
190: ok 14336 # ring membership passed
190: ok 14337 # correct SSSR count
190: ok 14338 # ring membership passed
190: ok 14339 # correct SSSR count
190: ok 14340 # ring membership passed
190: ok 14341 # correct SSSR count
190: ok 14342 # ring membership passed
190: ok 14343 # correct SSSR count
190: ok 14344 # ring membership passed
190: ok 14345 # correct SSSR count
190: ok 14346 # ring membership passed
190: ok 14347 # correct SSSR count
190: ok 14348 # ring membership passed
190: ok 14349 # correct SSSR count
190: ok 14350 # ring membership passed
190: ok 14351 # correct SSSR count
190: ok 14352 # ring membership passed
190: ok 14353 # correct SSSR count
190: ok 14354 # ring membership passed
190: ok 14355 # correct SSSR count
190: ok 14356 # ring membership passed
190: ok 14357 # correct SSSR count
190: ok 14358 # ring membership passed
190: ok 14359 # correct SSSR count
190: ok 14360 # ring membership passed
190: ok 14361 # correct SSSR count
190: ok 14362 # ring membership passed
190: ok 14363 # correct SSSR count
190: ok 14364 # ring membership passed
190: ok 14365 # correct SSSR count
190: ok 14366 # ring membership passed
190: ok 14367 # correct SSSR count
190: ok 14368 # ring membership passed
190: ok 14369 # correct SSSR count
190: ok 14370 # ring membership passed
190: ok 14371 # correct SSSR count
190: ok 14372 # ring membership passed
190: ok 14373 # correct SSSR count
190: ok 14374 # ring membership passed
190: ok 14375 # correct SSSR count
190: ok 14376 # ring membership passed
190: ok 14377 # correct SSSR count
190: ok 14378 # ring membership passed
190: ok 14379 # correct SSSR count
190: ok 14380 # ring membership passed
190: ok 14381 # correct SSSR count
190: ok 14382 # ring membership passed
190: ok 14383 # correct SSSR count
190: ok 14384 # ring membership passed
190: ok 14385 # correct SSSR count
190: ok 14386 # ring membership passed
190: ok 14387 # correct SSSR count
190: ok 14388 # ring membership passed
190: ok 14389 # correct SSSR count
190: ok 14390 # ring membership passed
190: ok 14391 # correct SSSR count
190: ok 14392 # ring membership passed
190: ok 14393 # correct SSSR count
190: ok 14394 # ring membership passed
190: ok 14395 # correct SSSR count
190: ok 14396 # ring membership passed
190: ok 14397 # correct SSSR count
190: ok 14398 # ring membership passed
190: ok 14399 # correct SSSR count
190: ok 14400 # ring membership passed
190: ok 14401 # correct SSSR count
190: ok 14402 # ring membership passed
190: ok 14403 # correct SSSR count
190: ok 14404 # ring membership passed
190: ok 14405 # correct SSSR count
190: ok 14406 # ring membership passed
190: ok 14407 # correct SSSR count
190: ok 14408 # ring membership passed
190: ok 14409 # correct SSSR count
190: ok 14410 # ring membership passed
190: ok 14411 # correct SSSR count
190: ok 14412 # ring membership passed
190: ok 14413 # correct SSSR count
190: ok 14414 # ring membership passed
190: ok 14415 # correct SSSR count
190: ok 14416 # ring membership passed
190: ok 14417 # correct ring bond data
190: ok 14418 # correct ring bond data
190: ok 14419 # correct ring bond data
190: ok 14420 # correct ring bond data
190: ok 14421 # correct ring bond data
190: ok 14422 # correct ring bond data
190: ok 14423 # correct ring bond data
190: ok 14424 # correct ring bond data
190: ok 14425 # correct ring bond data
190: ok 14426 # correct ring bond data
190: ok 14427 # correct ring bond data
190: ok 14428 # correct ring bond data
190: ok 14429 # correct ring bond data
190: ok 14430 # correct ring bond data
190: ok 14431 # correct ring bond data
190: ok 14432 # correct ring bond data
190: ok 14433 # correct ring bond data
190: ok 14434 # correct ring bond data
190: ok 14435 # correct ring bond data
190: ok 14436 # correct ring bond data
190: ok 14437 # correct ring bond data
190: ok 14438 # correct ring bond data
190: ok 14439 # correct ring bond data
190: ok 14440 # correct ring bond data
190: ok 14441 # correct ring bond data
190: ok 14442 # correct ring bond data
190: ok 14443 # correct ring bond data
190: ok 14444 # correct ring bond data
190: ok 14445 # correct ring bond data
190: ok 14446 # correct ring bond data
190: ok 14447 # correct ring bond data
190: ok 14448 # correct ring bond data
190: ok 14449 # correct ring bond data
190: ok 14450 # correct ring bond data
190: ok 14451 # correct ring bond data
190: ok 14452 # correct ring bond data
190: ok 14453 # correct ring bond data
190: ok 14454 # SSSR size matches reference
190: ok 14455 # correct SSSR count
190: ok 14456 # ring membership passed
190: ok 14457 # correct SSSR count
190: ok 14458 # ring membership passed
190: ok 14459 # correct SSSR count
190: ok 14460 # ring membership passed
190: ok 14461 # correct SSSR count
190: ok 14462 # ring membership passed
190: ok 14463 # correct SSSR count
190: ok 14464 # ring membership passed
190: ok 14465 # correct SSSR count
190: ok 14466 # ring membership passed
190: ok 14467 # correct SSSR count
190: ok 14468 # ring membership passed
190: ok 14469 # correct SSSR count
190: ok 14470 # ring membership passed
190: ok 14471 # correct SSSR count
190: ok 14472 # ring membership passed
190: ok 14473 # correct SSSR count
190: ok 14474 # ring membership passed
190: ok 14475 # correct SSSR count
190: ok 14476 # ring membership passed
190: ok 14477 # correct SSSR count
190: ok 14478 # ring membership passed
190: ok 14479 # correct SSSR count
190: ok 14480 # ring membership passed
190: ok 14481 # correct SSSR count
190: ok 14482 # ring membership passed
190: ok 14483 # correct SSSR count
190: ok 14484 # ring membership passed
190: ok 14485 # correct SSSR count
190: ok 14486 # ring membership passed
190: ok 14487 # correct SSSR count
190: ok 14488 # ring membership passed
190: ok 14489 # correct SSSR count
190: ok 14490 # ring membership passed
190: ok 14491 # correct SSSR count
190: ok 14492 # ring membership passed
190: ok 14493 # correct SSSR count
190: ok 14494 # ring membership passed
190: ok 14495 # correct SSSR count
190: ok 14496 # ring membership passed
190: ok 14497 # correct SSSR count
190: ok 14498 # ring membership passed
190: ok 14499 # correct SSSR count
190: ok 14500 # ring membership passed
190: ok 14501 # correct SSSR count
190: ok 14502 # ring membership passed
190: ok 14503 # correct SSSR count
190: ok 14504 # ring membership passed
190: ok 14505 # correct SSSR count
190: ok 14506 # ring membership passed
190: ok 14507 # correct SSSR count
190: ok 14508 # ring membership passed
190: ok 14509 # correct SSSR count
190: ok 14510 # ring membership passed
190: ok 14511 # correct SSSR count
190: ok 14512 # ring membership passed
190: ok 14513 # correct SSSR count
190: ok 14514 # ring membership passed
190: ok 14515 # correct SSSR count
190: ok 14516 # ring membership passed
190: ok 14517 # correct SSSR count
190: ok 14518 # ring membership passed
190: ok 14519 # correct SSSR count
190: ok 14520 # ring membership passed
190: ok 14521 # correct ring bond data
190: ok 14522 # correct ring bond data
190: ok 14523 # correct ring bond data
190: ok 14524 # correct ring bond data
190: ok 14525 # correct ring bond data
190: ok 14526 # correct ring bond data
190: ok 14527 # correct ring bond data
190: ok 14528 # correct ring bond data
190: ok 14529 # correct ring bond data
190: ok 14530 # correct ring bond data
190: ok 14531 # correct ring bond data
190: ok 14532 # correct ring bond data
190: ok 14533 # correct ring bond data
190: ok 14534 # correct ring bond data
190: ok 14535 # correct ring bond data
190: ok 14536 # correct ring bond data
190: ok 14537 # correct ring bond data
190: ok 14538 # correct ring bond data
190: ok 14539 # correct ring bond data
190: ok 14540 # correct ring bond data
190: ok 14541 # correct ring bond data
190: ok 14542 # correct ring bond data
190: ok 14543 # correct ring bond data
190: ok 14544 # correct ring bond data
190: ok 14545 # correct ring bond data
190: ok 14546 # correct ring bond data
190: ok 14547 # SSSR size matches reference
190: ok 14548 # correct SSSR count
190: ok 14549 # ring membership passed
190: ok 14550 # correct SSSR count
190: ok 14551 # ring membership passed
190: ok 14552 # correct SSSR count
190: ok 14553 # ring membership passed
190: ok 14554 # correct SSSR count
190: ok 14555 # ring membership passed
190: ok 14556 # correct SSSR count
190: ok 14557 # ring membership passed
190: ok 14558 # correct SSSR count
190: ok 14559 # ring membership passed
190: ok 14560 # correct SSSR count
190: ok 14561 # ring membership passed
190: ok 14562 # correct SSSR count
190: ok 14563 # ring membership passed
190: ok 14564 # correct SSSR count
190: ok 14565 # ring membership passed
190: ok 14566 # correct SSSR count
190: ok 14567 # ring membership passed
190: ok 14568 # correct SSSR count
190: ok 14569 # ring membership passed
190: ok 14570 # correct SSSR count
190: ok 14571 # ring membership passed
190: ok 14572 # correct SSSR count
190: ok 14573 # ring membership passed
190: ok 14574 # correct SSSR count
190: ok 14575 # ring membership passed
190: ok 14576 # correct SSSR count
190: ok 14577 # ring membership passed
190: ok 14578 # correct SSSR count
190: ok 14579 # ring membership passed
190: ok 14580 # correct SSSR count
190: ok 14581 # ring membership passed
190: ok 14582 # correct SSSR count
190: ok 14583 # ring membership passed
190: ok 14584 # correct SSSR count
190: ok 14585 # ring membership passed
190: ok 14586 # correct SSSR count
190: ok 14587 # ring membership passed
190: ok 14588 # correct SSSR count
190: ok 14589 # ring membership passed
190: ok 14590 # correct SSSR count
190: ok 14591 # ring membership passed
190: ok 14592 # correct SSSR count
190: ok 14593 # ring membership passed
190: ok 14594 # correct SSSR count
190: ok 14595 # ring membership passed
190: ok 14596 # correct SSSR count
190: ok 14597 # ring membership passed
190: ok 14598 # correct SSSR count
190: ok 14599 # ring membership passed
190: ok 14600 # correct ring bond data
190: ok 14601 # correct ring bond data
190: ok 14602 # correct ring bond data
190: ok 14603 # correct ring bond data
190: ok 14604 # correct ring bond data
190: ok 14605 # correct ring bond data
190: ok 14606 # correct ring bond data
190: ok 14607 # correct ring bond data
190: ok 14608 # correct ring bond data
190: ok 14609 # correct ring bond data
190: ok 14610 # correct ring bond data
190: ok 14611 # correct ring bond data
190: ok 14612 # correct ring bond data
190: ok 14613 # correct ring bond data
190: ok 14614 # correct ring bond data
190: ok 14615 # correct ring bond data
190: ok 14616 # correct ring bond data
190: ok 14617 # correct ring bond data
190: ok 14618 # correct ring bond data
190: ok 14619 # correct ring bond data
190: ok 14620 # correct ring bond data
190: ok 14621 # correct ring bond data
190: ok 14622 # correct ring bond data
190: ok 14623 # correct ring bond data
190: ok 14624 # correct ring bond data
190: ok 14625 # correct ring bond data
190: ok 14626 # correct ring bond data
190: ok 14627 # correct ring bond data
190: ok 14628 # correct ring bond data
190: ok 14629 # correct ring bond data
190: ok 14630 # correct ring bond data
190: ok 14631 # correct ring bond data
190: ok 14632 # correct ring bond data
190: ok 14633 # correct ring bond data
190: ok 14634 # correct ring bond data
190: ok 14635 # correct ring bond data
190: ok 14636 # correct ring bond data
190: ok 14637 # correct ring bond data
190: ok 14638 # correct ring bond data
190: ok 14639 # correct ring bond data
190: ok 14640 # correct ring bond data
190: ok 14641 # correct ring bond data
190: ok 14642 # SSSR size matches reference
190: ok 14643 # correct SSSR count
190: ok 14644 # ring membership passed
190: ok 14645 # correct SSSR count
190: ok 14646 # ring membership passed
190: ok 14647 # correct SSSR count
190: ok 14648 # ring membership passed
190: ok 14649 # correct SSSR count
190: ok 14650 # ring membership passed
190: ok 14651 # correct SSSR count
190: ok 14652 # ring membership passed
190: ok 14653 # correct SSSR count
190: ok 14654 # ring membership passed
190: ok 14655 # correct SSSR count
190: ok 14656 # ring membership passed
190: ok 14657 # correct SSSR count
190: ok 14658 # ring membership passed
190: ok 14659 # correct SSSR count
190: ok 14660 # ring membership passed
190: ok 14661 # correct SSSR count
190: ok 14662 # ring membership passed
190: ok 14663 # correct SSSR count
190: ok 14664 # ring membership passed
190: ok 14665 # correct SSSR count
190: ok 14666 # ring membership passed
190: ok 14667 # correct SSSR count
190: ok 14668 # ring membership passed
190: ok 14669 # correct SSSR count
190: ok 14670 # ring membership passed
190: ok 14671 # correct SSSR count
190: ok 14672 # ring membership passed
190: ok 14673 # correct SSSR count
190: ok 14674 # ring membership passed
190: ok 14675 # correct SSSR count
190: ok 14676 # ring membership passed
190: ok 14677 # correct SSSR count
190: ok 14678 # ring membership passed
190: ok 14679 # correct SSSR count
190: ok 14680 # ring membership passed
190: ok 14681 # correct SSSR count
190: ok 14682 # ring membership passed
190: ok 14683 # correct SSSR count
190: ok 14684 # ring membership passed
190: ok 14685 # correct SSSR count
190: ok 14686 # ring membership passed
190: ok 14687 # correct SSSR count
190: ok 14688 # ring membership passed
190: ok 14689 # correct SSSR count
190: ok 14690 # ring membership passed
190: ok 14691 # correct SSSR count
190: ok 14692 # ring membership passed
190: ok 14693 # correct SSSR count
190: ok 14694 # ring membership passed
190: ok 14695 # correct SSSR count
190: ok 14696 # ring membership passed
190: ok 14697 # correct SSSR count
190: ok 14698 # ring membership passed
190: ok 14699 # correct SSSR count
190: ok 14700 # ring membership passed
190: ok 14701 # correct SSSR count
190: ok 14702 # ring membership passed
190: ok 14703 # correct SSSR count
190: ok 14704 # ring membership passed
190: ok 14705 # correct SSSR count
190: ok 14706 # ring membership passed
190: ok 14707 # correct SSSR count
190: ok 14708 # ring membership passed
190: ok 14709 # correct SSSR count
190: ok 14710 # ring membership passed
190: ok 14711 # correct SSSR count
190: ok 14712 # ring membership passed
190: ok 14713 # correct SSSR count
190: ok 14714 # ring membership passed
190: ok 14715 # correct SSSR count
190: ok 14716 # ring membership passed
190: ok 14717 # correct SSSR count
190: ok 14718 # ring membership passed
190: ok 14719 # correct SSSR count
190: ok 14720 # ring membership passed
190: ok 14721 # correct SSSR count
190: ok 14722 # ring membership passed
190: ok 14723 # correct SSSR count
190: ok 14724 # ring membership passed
190: ok 14725 # correct ring bond data
190: ok 14726 # correct ring bond data
190: ok 14727 # correct ring bond data
190: ok 14728 # correct ring bond data
190: ok 14729 # correct ring bond data
190: ok 14730 # correct ring bond data
190: ok 14731 # correct ring bond data
190: ok 14732 # correct ring bond data
190: ok 14733 # correct ring bond data
190: ok 14734 # correct ring bond data
190: ok 14735 # correct ring bond data
190: ok 14736 # correct ring bond data
190: ok 14737 # correct ring bond data
190: ok 14738 # correct ring bond data
190: ok 14739 # correct ring bond data
190: ok 14740 # SSSR size matches reference
190: ok 14741 # correct SSSR count
190: ok 14742 # ring membership passed
190: ok 14743 # correct SSSR count
190: ok 14744 # ring membership passed
190: ok 14745 # correct SSSR count
190: ok 14746 # ring membership passed
190: ok 14747 # correct SSSR count
190: ok 14748 # ring membership passed
190: ok 14749 # correct SSSR count
190: ok 14750 # ring membership passed
190: ok 14751 # correct SSSR count
190: ok 14752 # ring membership passed
190: ok 14753 # correct SSSR count
190: ok 14754 # ring membership passed
190: ok 14755 # correct SSSR count
190: ok 14756 # ring membership passed
190: ok 14757 # correct SSSR count
190: ok 14758 # ring membership passed
190: ok 14759 # correct SSSR count
190: ok 14760 # ring membership passed
190: ok 14761 # correct SSSR count
190: ok 14762 # ring membership passed
190: ok 14763 # correct SSSR count
190: ok 14764 # ring membership passed
190: ok 14765 # correct SSSR count
190: ok 14766 # ring membership passed
190: ok 14767 # correct SSSR count
190: ok 14768 # ring membership passed
190: ok 14769 # correct ring bond data
190: ok 14770 # correct ring bond data
190: ok 14771 # correct ring bond data
190: ok 14772 # correct ring bond data
190: ok 14773 # correct ring bond data
190: ok 14774 # correct ring bond data
190: ok 14775 # correct ring bond data
190: ok 14776 # correct ring bond data
190: ok 14777 # correct ring bond data
190: ok 14778 # correct ring bond data
190: ok 14779 # correct ring bond data
190: ok 14780 # SSSR size matches reference
190: ok 14781 # correct SSSR count
190: ok 14782 # ring membership passed
190: ok 14783 # correct SSSR count
190: ok 14784 # ring membership passed
190: ok 14785 # correct SSSR count
190: ok 14786 # ring membership passed
190: ok 14787 # correct SSSR count
190: ok 14788 # ring membership passed
190: ok 14789 # correct SSSR count
190: ok 14790 # ring membership passed
190: ok 14791 # correct SSSR count
190: ok 14792 # ring membership passed
190: ok 14793 # correct SSSR count
190: ok 14794 # ring membership passed
190: ok 14795 # correct SSSR count
190: ok 14796 # ring membership passed
190: ok 14797 # correct SSSR count
190: ok 14798 # ring membership passed
190: ok 14799 # correct SSSR count
190: ok 14800 # ring membership passed
190: ok 14801 # correct SSSR count
190: ok 14802 # ring membership passed
190: ok 14803 # correct SSSR count
190: ok 14804 # ring membership passed
190: ok 14805 # correct ring bond data
190: ok 14806 # correct ring bond data
190: ok 14807 # correct ring bond data
190: ok 14808 # correct ring bond data
190: ok 14809 # correct ring bond data
190: ok 14810 # correct ring bond data
190: ok 14811 # correct ring bond data
190: ok 14812 # correct ring bond data
190: ok 14813 # SSSR size matches reference
190: ok 14814 # correct SSSR count
190: ok 14815 # ring membership passed
190: ok 14816 # correct SSSR count
190: ok 14817 # ring membership passed
190: ok 14818 # correct SSSR count
190: ok 14819 # ring membership passed
190: ok 14820 # correct SSSR count
190: ok 14821 # ring membership passed
190: ok 14822 # correct SSSR count
190: ok 14823 # ring membership passed
190: ok 14824 # correct SSSR count
190: ok 14825 # ring membership passed
190: ok 14826 # correct SSSR count
190: ok 14827 # ring membership passed
190: ok 14828 # correct SSSR count
190: ok 14829 # ring membership passed
190: ok 14830 # correct SSSR count
190: ok 14831 # ring membership passed
190: ok 14832 # correct SSSR count
190: ok 14833 # ring membership passed
190: ok 14834 # correct ring bond data
190: ok 14835 # correct ring bond data
190: ok 14836 # correct ring bond data
190: ok 14837 # correct ring bond data
190: ok 14838 # correct ring bond data
190: ok 14839 # correct ring bond data
190: ok 14840 # correct ring bond data
190: ok 14841 # correct ring bond data
190: ok 14842 # correct ring bond data
190: ok 14843 # correct ring bond data
190: ok 14844 # correct ring bond data
190: ok 14845 # correct ring bond data
190: ok 14846 # correct ring bond data
190: ok 14847 # correct ring bond data
190: ok 14848 # correct ring bond data
190: ok 14849 # SSSR size matches reference
190: ok 14850 # correct SSSR count
190: ok 14851 # ring membership passed
190: ok 14852 # correct SSSR count
190: ok 14853 # ring membership passed
190: ok 14854 # correct SSSR count
190: ok 14855 # ring membership passed
190: ok 14856 # correct SSSR count
190: ok 14857 # ring membership passed
190: ok 14858 # correct SSSR count
190: ok 14859 # ring membership passed
190: ok 14860 # correct SSSR count
190: ok 14861 # ring membership passed
190: ok 14862 # correct SSSR count
190: ok 14863 # ring membership passed
190: ok 14864 # correct SSSR count
190: ok 14865 # ring membership passed
190: ok 14866 # correct SSSR count
190: ok 14867 # ring membership passed
190: ok 14868 # correct SSSR count
190: ok 14869 # ring membership passed
190: ok 14870 # correct SSSR count
190: ok 14871 # ring membership passed
190: ok 14872 # correct SSSR count
190: ok 14873 # ring membership passed
190: ok 14874 # correct SSSR count
190: ok 14875 # ring membership passed
190: ok 14876 # correct SSSR count
190: ok 14877 # ring membership passed
190: ok 14878 # correct SSSR count
190: ok 14879 # ring membership passed
190: ok 14880 # correct SSSR count
190: ok 14881 # ring membership passed
190: ok 14882 # correct ring bond data
190: ok 14883 # correct ring bond data
190: ok 14884 # correct ring bond data
190: ok 14885 # correct ring bond data
190: ok 14886 # correct ring bond data
190: ok 14887 # correct ring bond data
190: ok 14888 # correct ring bond data
190: ok 14889 # correct ring bond data
190: ok 14890 # correct ring bond data
190: ok 14891 # correct ring bond data
190: ok 14892 # correct ring bond data
190: ok 14893 # SSSR size matches reference
190: ok 14894 # correct SSSR count
190: ok 14895 # ring membership passed
190: ok 14896 # correct SSSR count
190: ok 14897 # ring membership passed
190: ok 14898 # correct SSSR count
190: ok 14899 # ring membership passed
190: ok 14900 # correct SSSR count
190: ok 14901 # ring membership passed
190: ok 14902 # correct SSSR count
190: ok 14903 # ring membership passed
190: ok 14904 # correct SSSR count
190: ok 14905 # ring membership passed
190: ok 14906 # correct SSSR count
190: ok 14907 # ring membership passed
190: ok 14908 # correct SSSR count
190: ok 14909 # ring membership passed
190: ok 14910 # correct SSSR count
190: ok 14911 # ring membership passed
190: ok 14912 # correct SSSR count
190: ok 14913 # ring membership passed
190: ok 14914 # correct SSSR count
190: ok 14915 # ring membership passed
190: ok 14916 # correct SSSR count
190: ok 14917 # ring membership passed
190: ok 14918 # correct SSSR count
190: ok 14919 # ring membership passed
190: ok 14920 # correct ring bond data
190: ok 14921 # correct ring bond data
190: ok 14922 # correct ring bond data
190: ok 14923 # correct ring bond data
190: ok 14924 # correct ring bond data
190: ok 14925 # correct ring bond data
190: ok 14926 # SSSR size matches reference
190: ok 14927 # correct SSSR count
190: ok 14928 # ring membership passed
190: ok 14929 # correct SSSR count
190: ok 14930 # ring membership passed
190: ok 14931 # correct SSSR count
190: ok 14932 # ring membership passed
190: ok 14933 # correct SSSR count
190: ok 14934 # ring membership passed
190: ok 14935 # correct SSSR count
190: ok 14936 # ring membership passed
190: ok 14937 # correct SSSR count
190: ok 14938 # ring membership passed
190: ok 14939 # correct SSSR count
190: ok 14940 # ring membership passed
190: ok 14941 # correct SSSR count
190: ok 14942 # ring membership passed
190: ok 14943 # correct ring bond data
190: ok 14944 # correct ring bond data
190: ok 14945 # correct ring bond data
190: ok 14946 # correct ring bond data
190: ok 14947 # correct ring bond data
190: ok 14948 # correct ring bond data
190: ok 14949 # correct ring bond data
190: ok 14950 # correct ring bond data
190: ok 14951 # correct ring bond data
190: ok 14952 # correct ring bond data
190: ok 14953 # correct ring bond data
190: ok 14954 # correct ring bond data
190: ok 14955 # correct ring bond data
190: ok 14956 # SSSR size matches reference
190: ok 14957 # correct SSSR count
190: ok 14958 # ring membership passed
190: ok 14959 # correct SSSR count
190: ok 14960 # ring membership passed
190: ok 14961 # correct SSSR count
190: ok 14962 # ring membership passed
190: ok 14963 # correct SSSR count
190: ok 14964 # ring membership passed
190: ok 14965 # correct SSSR count
190: ok 14966 # ring membership passed
190: ok 14967 # correct SSSR count
190: ok 14968 # ring membership passed
190: ok 14969 # correct SSSR count
190: ok 14970 # ring membership passed
190: ok 14971 # correct SSSR count
190: ok 14972 # ring membership passed
190: ok 14973 # correct SSSR count
190: ok 14974 # ring membership passed
190: ok 14975 # correct SSSR count
190: ok 14976 # ring membership passed
190: ok 14977 # correct SSSR count
190: ok 14978 # ring membership passed
190: ok 14979 # correct SSSR count
190: ok 14980 # ring membership passed
190: ok 14981 # correct SSSR count
190: ok 14982 # ring membership passed
190: ok 14983 # correct ring bond data
190: ok 14984 # correct ring bond data
190: ok 14985 # correct ring bond data
190: ok 14986 # correct ring bond data
190: ok 14987 # correct ring bond data
190: ok 14988 # correct ring bond data
190: ok 14989 # SSSR size matches reference
190: ok 14990 # correct SSSR count
190: ok 14991 # ring membership passed
190: ok 14992 # correct SSSR count
190: ok 14993 # ring membership passed
190: ok 14994 # correct SSSR count
190: ok 14995 # ring membership passed
190: ok 14996 # correct SSSR count
190: ok 14997 # ring membership passed
190: ok 14998 # correct SSSR count
190: ok 14999 # ring membership passed
190: ok 15000 # correct SSSR count
190: ok 15001 # ring membership passed
190: ok 15002 # correct ring bond data
190: ok 15003 # correct ring bond data
190: ok 15004 # correct ring bond data
190: ok 15005 # correct ring bond data
190: ok 15006 # correct ring bond data
190: ok 15007 # correct ring bond data
190: ok 15008 # SSSR size matches reference
190: ok 15009 # correct SSSR count
190: ok 15010 # ring membership passed
190: ok 15011 # correct SSSR count
190: ok 15012 # ring membership passed
190: ok 15013 # correct SSSR count
190: ok 15014 # ring membership passed
190: ok 15015 # correct SSSR count
190: ok 15016 # ring membership passed
190: ok 15017 # correct SSSR count
190: ok 15018 # ring membership passed
190: ok 15019 # correct SSSR count
190: ok 15020 # ring membership passed
190: ok 15021 # correct ring bond data
190: ok 15022 # correct ring bond data
190: ok 15023 # correct ring bond data
190: ok 15024 # correct ring bond data
190: ok 15025 # correct ring bond data
190: ok 15026 # SSSR size matches reference
190: ok 15027 # correct SSSR count
190: ok 15028 # ring membership passed
190: ok 15029 # correct SSSR count
190: ok 15030 # ring membership passed
190: ok 15031 # correct SSSR count
190: ok 15032 # ring membership passed
190: ok 15033 # correct SSSR count
190: ok 15034 # ring membership passed
190: ok 15035 # correct SSSR count
190: ok 15036 # ring membership passed
190: ok 15037 # correct ring bond data
190: ok 15038 # correct ring bond data
190: ok 15039 # correct ring bond data
190: ok 15040 # correct ring bond data
190: ok 15041 # correct ring bond data
190: ok 15042 # correct ring bond data
190: ok 15043 # correct ring bond data
190: ok 15044 # correct ring bond data
190: ok 15045 # correct ring bond data
190: ok 15046 # correct ring bond data
190: ok 15047 # correct ring bond data
190: ok 15048 # correct ring bond data
190: ok 15049 # correct ring bond data
190: ok 15050 # correct ring bond data
190: ok 15051 # correct ring bond data
190: ok 15052 # correct ring bond data
190: ok 15053 # correct ring bond data
190: ok 15054 # correct ring bond data
190: ok 15055 # correct ring bond data
190: ok 15056 # correct ring bond data
190: ok 15057 # correct ring bond data
190: ok 15058 # SSSR size matches reference
190: ok 15059 # correct SSSR count
190: ok 15060 # ring membership passed
190: ok 15061 # correct SSSR count
190: ok 15062 # ring membership passed
190: ok 15063 # correct SSSR count
190: ok 15064 # ring membership passed
190: ok 15065 # correct SSSR count
190: ok 15066 # ring membership passed
190: ok 15067 # correct SSSR count
190: ok 15068 # ring membership passed
190: ok 15069 # correct SSSR count
190: ok 15070 # ring membership passed
190: ok 15071 # correct SSSR count
190: ok 15072 # ring membership passed
190: ok 15073 # correct SSSR count
190: ok 15074 # ring membership passed
190: ok 15075 # correct SSSR count
190: ok 15076 # ring membership passed
190: ok 15077 # correct SSSR count
190: ok 15078 # ring membership passed
190: ok 15079 # correct SSSR count
190: ok 15080 # ring membership passed
190: ok 15081 # correct SSSR count
190: ok 15082 # ring membership passed
190: ok 15083 # correct SSSR count
190: ok 15084 # ring membership passed
190: ok 15085 # correct SSSR count
190: ok 15086 # ring membership passed
190: ok 15087 # correct SSSR count
190: ok 15088 # ring membership passed
190: ok 15089 # correct SSSR count
190: ok 15090 # ring membership passed
190: ok 15091 # correct SSSR count
190: ok 15092 # ring membership passed
190: ok 15093 # correct SSSR count
190: ok 15094 # ring membership passed
190: ok 15095 # correct ring bond data
190: ok 15096 # correct ring bond data
190: ok 15097 # correct ring bond data
190: ok 15098 # correct ring bond data
190: ok 15099 # correct ring bond data
190: ok 15100 # correct ring bond data
190: ok 15101 # correct ring bond data
190: ok 15102 # correct ring bond data
190: ok 15103 # correct ring bond data
190: ok 15104 # correct ring bond data
190: ok 15105 # correct ring bond data
190: ok 15106 # correct ring bond data
190: ok 15107 # correct ring bond data
190: ok 15108 # correct ring bond data
190: ok 15109 # correct ring bond data
190: ok 15110 # correct ring bond data
190: ok 15111 # correct ring bond data
190: ok 15112 # correct ring bond data
190: ok 15113 # SSSR size matches reference
190: ok 15114 # correct SSSR count
190: ok 15115 # ring membership passed
190: ok 15116 # correct SSSR count
190: ok 15117 # ring membership passed
190: ok 15118 # correct SSSR count
190: ok 15119 # ring membership passed
190: ok 15120 # correct SSSR count
190: ok 15121 # ring membership passed
190: ok 15122 # correct SSSR count
190: ok 15123 # ring membership passed
190: ok 15124 # correct SSSR count
190: ok 15125 # ring membership passed
190: ok 15126 # correct SSSR count
190: ok 15127 # ring membership passed
190: ok 15128 # correct SSSR count
190: ok 15129 # ring membership passed
190: ok 15130 # correct SSSR count
190: ok 15131 # ring membership passed
190: ok 15132 # correct SSSR count
190: ok 15133 # ring membership passed
190: ok 15134 # correct SSSR count
190: ok 15135 # ring membership passed
190: ok 15136 # correct SSSR count
190: ok 15137 # ring membership passed
190: ok 15138 # correct SSSR count
190: ok 15139 # ring membership passed
190: ok 15140 # correct SSSR count
190: ok 15141 # ring membership passed
190: ok 15142 # correct SSSR count
190: ok 15143 # ring membership passed
190: ok 15144 # correct SSSR count
190: ok 15145 # ring membership passed
190: ok 15146 # correct ring bond data
190: ok 15147 # correct ring bond data
190: ok 15148 # correct ring bond data
190: ok 15149 # correct ring bond data
190: ok 15150 # correct ring bond data
190: ok 15151 # correct ring bond data
190: ok 15152 # correct ring bond data
190: ok 15153 # correct ring bond data
190: ok 15154 # correct ring bond data
190: ok 15155 # correct ring bond data
190: ok 15156 # correct ring bond data
190: ok 15157 # correct ring bond data
190: ok 15158 # correct ring bond data
190: ok 15159 # correct ring bond data
190: ok 15160 # correct ring bond data
190: ok 15161 # correct ring bond data
190: ok 15162 # correct ring bond data
190: ok 15163 # correct ring bond data
190: ok 15164 # correct ring bond data
190: ok 15165 # correct ring bond data
190: ok 15166 # correct ring bond data
190: ok 15167 # correct ring bond data
190: ok 15168 # SSSR size matches reference
190: ok 15169 # correct SSSR count
190: ok 15170 # ring membership passed
190: ok 15171 # correct SSSR count
190: ok 15172 # ring membership passed
190: ok 15173 # correct SSSR count
190: ok 15174 # ring membership passed
190: ok 15175 # correct SSSR count
190: ok 15176 # ring membership passed
190: ok 15177 # correct SSSR count
190: ok 15178 # ring membership passed
190: ok 15179 # correct SSSR count
190: ok 15180 # ring membership passed
190: ok 15181 # correct SSSR count
190: ok 15182 # ring membership passed
190: ok 15183 # correct SSSR count
190: ok 15184 # ring membership passed
190: ok 15185 # correct SSSR count
190: ok 15186 # ring membership passed
190: ok 15187 # correct SSSR count
190: ok 15188 # ring membership passed
190: ok 15189 # correct SSSR count
190: ok 15190 # ring membership passed
190: ok 15191 # correct SSSR count
190: ok 15192 # ring membership passed
190: ok 15193 # correct SSSR count
190: ok 15194 # ring membership passed
190: ok 15195 # correct SSSR count
190: ok 15196 # ring membership passed
190: ok 15197 # correct SSSR count
190: ok 15198 # ring membership passed
190: ok 15199 # correct SSSR count
190: ok 15200 # ring membership passed
190: ok 15201 # correct SSSR count
190: ok 15202 # ring membership passed
190: ok 15203 # correct SSSR count
190: ok 15204 # ring membership passed
190: ok 15205 # correct SSSR count
190: ok 15206 # ring membership passed
190: ok 15207 # correct ring bond data
190: ok 15208 # correct ring bond data
190: ok 15209 # correct ring bond data
190: ok 15210 # correct ring bond data
190: ok 15211 # correct ring bond data
190: ok 15212 # correct ring bond data
190: ok 15213 # correct ring bond data
190: ok 15214 # correct ring bond data
190: ok 15215 # correct ring bond data
190: ok 15216 # correct ring bond data
190: ok 15217 # correct ring bond data
190: ok 15218 # correct ring bond data
190: ok 15219 # correct ring bond data
190: ok 15220 # correct ring bond data
190: ok 15221 # correct ring bond data
190: ok 15222 # correct ring bond data
190: ok 15223 # correct ring bond data
190: ok 15224 # correct ring bond data
190: ok 15225 # correct ring bond data
190: ok 15226 # correct ring bond data
190: ok 15227 # correct ring bond data
190: ok 15228 # correct ring bond data
190: ok 15229 # SSSR size matches reference
190: ok 15230 # correct SSSR count
190: ok 15231 # ring membership passed
190: ok 15232 # correct SSSR count
190: ok 15233 # ring membership passed
190: ok 15234 # correct SSSR count
190: ok 15235 # ring membership passed
190: ok 15236 # correct SSSR count
190: ok 15237 # ring membership passed
190: ok 15238 # correct SSSR count
190: ok 15239 # ring membership passed
190: ok 15240 # correct SSSR count
190: ok 15241 # ring membership passed
190: ok 15242 # correct SSSR count
190: ok 15243 # ring membership passed
190: ok 15244 # correct SSSR count
190: ok 15245 # ring membership passed
190: ok 15246 # correct SSSR count
190: ok 15247 # ring membership passed
190: ok 15248 # correct SSSR count
190: ok 15249 # ring membership passed
190: ok 15250 # correct SSSR count
190: ok 15251 # ring membership passed
190: ok 15252 # correct SSSR count
190: ok 15253 # ring membership passed
190: ok 15254 # correct SSSR count
190: ok 15255 # ring membership passed
190: ok 15256 # correct SSSR count
190: ok 15257 # ring membership passed
190: ok 15258 # correct SSSR count
190: ok 15259 # ring membership passed
190: ok 15260 # correct SSSR count
190: ok 15261 # ring membership passed
190: ok 15262 # correct SSSR count
190: ok 15263 # ring membership passed
190: ok 15264 # correct SSSR count
190: ok 15265 # ring membership passed
190: ok 15266 # correct SSSR count
190: ok 15267 # ring membership passed
190: ok 15268 # correct ring bond data
190: ok 15269 # correct ring bond data
190: ok 15270 # correct ring bond data
190: ok 15271 # correct ring bond data
190: ok 15272 # correct ring bond data
190: ok 15273 # correct ring bond data
190: ok 15274 # correct ring bond data
190: ok 15275 # correct ring bond data
190: ok 15276 # correct ring bond data
190: ok 15277 # correct ring bond data
190: ok 15278 # correct ring bond data
190: ok 15279 # correct ring bond data
190: ok 15280 # correct ring bond data
190: ok 15281 # correct ring bond data
190: ok 15282 # correct ring bond data
190: ok 15283 # correct ring bond data
190: ok 15284 # correct ring bond data
190: ok 15285 # correct ring bond data
190: ok 15286 # correct ring bond data
190: ok 15287 # correct ring bond data
190: ok 15288 # correct ring bond data
190: ok 15289 # SSSR size matches reference
190: ok 15290 # correct SSSR count
190: ok 15291 # ring membership passed
190: ok 15292 # correct SSSR count
190: ok 15293 # ring membership passed
190: ok 15294 # correct SSSR count
190: ok 15295 # ring membership passed
190: ok 15296 # correct SSSR count
190: ok 15297 # ring membership passed
190: ok 15298 # correct SSSR count
190: ok 15299 # ring membership passed
190: ok 15300 # correct SSSR count
190: ok 15301 # ring membership passed
190: ok 15302 # correct SSSR count
190: ok 15303 # ring membership passed
190: ok 15304 # correct SSSR count
190: ok 15305 # ring membership passed
190: ok 15306 # correct SSSR count
190: ok 15307 # ring membership passed
190: ok 15308 # correct SSSR count
190: ok 15309 # ring membership passed
190: ok 15310 # correct SSSR count
190: ok 15311 # ring membership passed
190: ok 15312 # correct SSSR count
190: ok 15313 # ring membership passed
190: ok 15314 # correct SSSR count
190: ok 15315 # ring membership passed
190: ok 15316 # correct SSSR count
190: ok 15317 # ring membership passed
190: ok 15318 # correct SSSR count
190: ok 15319 # ring membership passed
190: ok 15320 # correct SSSR count
190: ok 15321 # ring membership passed
190: ok 15322 # correct SSSR count
190: ok 15323 # ring membership passed
190: ok 15324 # correct SSSR count
190: ok 15325 # ring membership passed
190: ok 15326 # correct ring bond data
190: ok 15327 # correct ring bond data
190: ok 15328 # correct ring bond data
190: ok 15329 # correct ring bond data
190: ok 15330 # correct ring bond data
190: ok 15331 # correct ring bond data
190: ok 15332 # correct ring bond data
190: ok 15333 # correct ring bond data
190: ok 15334 # correct ring bond data
190: ok 15335 # correct ring bond data
190: ok 15336 # correct ring bond data
190: ok 15337 # correct ring bond data
190: ok 15338 # correct ring bond data
190: ok 15339 # correct ring bond data
190: ok 15340 # correct ring bond data
190: ok 15341 # correct ring bond data
190: ok 15342 # correct ring bond data
190: ok 15343 # correct ring bond data
190: ok 15344 # SSSR size matches reference
190: ok 15345 # correct SSSR count
190: ok 15346 # ring membership passed
190: ok 15347 # correct SSSR count
190: ok 15348 # ring membership passed
190: ok 15349 # correct SSSR count
190: ok 15350 # ring membership passed
190: ok 15351 # correct SSSR count
190: ok 15352 # ring membership passed
190: ok 15353 # correct SSSR count
190: ok 15354 # ring membership passed
190: ok 15355 # correct SSSR count
190: ok 15356 # ring membership passed
190: ok 15357 # correct SSSR count
190: ok 15358 # ring membership passed
190: ok 15359 # correct SSSR count
190: ok 15360 # ring membership passed
190: ok 15361 # correct SSSR count
190: ok 15362 # ring membership passed
190: ok 15363 # correct SSSR count
190: ok 15364 # ring membership passed
190: ok 15365 # correct SSSR count
190: ok 15366 # ring membership passed
190: ok 15367 # correct SSSR count
190: ok 15368 # ring membership passed
190: ok 15369 # correct SSSR count
190: ok 15370 # ring membership passed
190: ok 15371 # correct SSSR count
190: ok 15372 # ring membership passed
190: ok 15373 # correct SSSR count
190: ok 15374 # ring membership passed
190: ok 15375 # correct SSSR count
190: ok 15376 # ring membership passed
190: ok 15377 # correct ring bond data
190: ok 15378 # correct ring bond data
190: ok 15379 # correct ring bond data
190: ok 15380 # correct ring bond data
190: ok 15381 # correct ring bond data
190: ok 15382 # correct ring bond data
190: ok 15383 # correct ring bond data
190: ok 15384 # correct ring bond data
190: ok 15385 # correct ring bond data
190: ok 15386 # correct ring bond data
190: ok 15387 # correct ring bond data
190: ok 15388 # correct ring bond data
190: ok 15389 # correct ring bond data
190: ok 15390 # correct ring bond data
190: ok 15391 # correct ring bond data
190: ok 15392 # correct ring bond data
190: ok 15393 # SSSR size matches reference
190: ok 15394 # correct SSSR count
190: ok 15395 # ring membership passed
190: ok 15396 # correct SSSR count
190: ok 15397 # ring membership passed
190: ok 15398 # correct SSSR count
190: ok 15399 # ring membership passed
190: ok 15400 # correct SSSR count
190: ok 15401 # ring membership passed
190: ok 15402 # correct SSSR count
190: ok 15403 # ring membership passed
190: ok 15404 # correct SSSR count
190: ok 15405 # ring membership passed
190: ok 15406 # correct SSSR count
190: ok 15407 # ring membership passed
190: ok 15408 # correct SSSR count
190: ok 15409 # ring membership passed
190: ok 15410 # correct SSSR count
190: ok 15411 # ring membership passed
190: ok 15412 # correct SSSR count
190: ok 15413 # ring membership passed
190: ok 15414 # correct SSSR count
190: ok 15415 # ring membership passed
190: ok 15416 # correct SSSR count
190: ok 15417 # ring membership passed
190: ok 15418 # correct SSSR count
190: ok 15419 # ring membership passed
190: ok 15420 # correct SSSR count
190: ok 15421 # ring membership passed
190: ok 15422 # correct SSSR count
190: ok 15423 # ring membership passed
190: ok 15424 # correct ring bond data
190: ok 15425 # correct ring bond data
190: ok 15426 # correct ring bond data
190: ok 15427 # correct ring bond data
190: ok 15428 # correct ring bond data
190: ok 15429 # correct ring bond data
190: ok 15430 # correct ring bond data
190: ok 15431 # correct ring bond data
190: ok 15432 # correct ring bond data
190: ok 15433 # correct ring bond data
190: ok 15434 # correct ring bond data
190: ok 15435 # correct ring bond data
190: ok 15436 # correct ring bond data
190: ok 15437 # correct ring bond data
190: ok 15438 # correct ring bond data
190: ok 15439 # correct ring bond data
190: ok 15440 # correct ring bond data
190: ok 15441 # correct ring bond data
190: ok 15442 # correct ring bond data
190: ok 15443 # SSSR size matches reference
190: ok 15444 # correct SSSR count
190: ok 15445 # ring membership passed
190: ok 15446 # correct SSSR count
190: ok 15447 # ring membership passed
190: ok 15448 # correct SSSR count
190: ok 15449 # ring membership passed
190: ok 15450 # correct SSSR count
190: ok 15451 # ring membership passed
190: ok 15452 # correct SSSR count
190: ok 15453 # ring membership passed
190: ok 15454 # correct SSSR count
190: ok 15455 # ring membership passed
190: ok 15456 # correct SSSR count
190: ok 15457 # ring membership passed
190: ok 15458 # correct SSSR count
190: ok 15459 # ring membership passed
190: ok 15460 # correct SSSR count
190: ok 15461 # ring membership passed
190: ok 15462 # correct SSSR count
190: ok 15463 # ring membership passed
190: ok 15464 # correct SSSR count
190: ok 15465 # ring membership passed
190: ok 15466 # correct SSSR count
190: ok 15467 # ring membership passed
190: ok 15468 # correct SSSR count
190: ok 15469 # ring membership passed
190: ok 15470 # correct SSSR count
190: ok 15471 # ring membership passed
190: ok 15472 # correct SSSR count
190: ok 15473 # ring membership passed
190: ok 15474 # correct SSSR count
190: ok 15475 # ring membership passed
190: ok 15476 # correct SSSR count
190: ok 15477 # ring membership passed
190: ok 15478 # correct ring bond data
190: ok 15479 # correct ring bond data
190: ok 15480 # correct ring bond data
190: ok 15481 # correct ring bond data
190: ok 15482 # correct ring bond data
190: ok 15483 # correct ring bond data
190: ok 15484 # correct ring bond data
190: ok 15485 # correct ring bond data
190: ok 15486 # correct ring bond data
190: ok 15487 # correct ring bond data
190: ok 15488 # correct ring bond data
190: ok 15489 # correct ring bond data
190: ok 15490 # SSSR size matches reference
190: ok 15491 # correct SSSR count
190: ok 15492 # ring membership passed
190: ok 15493 # correct SSSR count
190: ok 15494 # ring membership passed
190: ok 15495 # correct SSSR count
190: ok 15496 # ring membership passed
190: ok 15497 # correct SSSR count
190: ok 15498 # ring membership passed
190: ok 15499 # correct SSSR count
190: ok 15500 # ring membership passed
190: ok 15501 # correct SSSR count
190: ok 15502 # ring membership passed
190: ok 15503 # correct SSSR count
190: ok 15504 # ring membership passed
190: ok 15505 # correct SSSR count
190: ok 15506 # ring membership passed
190: ok 15507 # correct SSSR count
190: ok 15508 # ring membership passed
190: ok 15509 # correct SSSR count
190: ok 15510 # ring membership passed
190: ok 15511 # correct SSSR count
190: ok 15512 # ring membership passed
190: ok 15513 # correct ring bond data
190: ok 15514 # correct ring bond data
190: ok 15515 # correct ring bond data
190: ok 15516 # correct ring bond data
190: ok 15517 # correct ring bond data
190: ok 15518 # correct ring bond data
190: ok 15519 # correct ring bond data
190: ok 15520 # correct ring bond data
190: ok 15521 # correct ring bond data
190: ok 15522 # correct ring bond data
190: ok 15523 # correct ring bond data
190: ok 15524 # correct ring bond data
190: ok 15525 # correct ring bond data
190: ok 15526 # correct ring bond data
190: ok 15527 # correct ring bond data
190: ok 15528 # correct ring bond data
190: ok 15529 # correct ring bond data
190: ok 15530 # correct ring bond data
190: ok 15531 # correct ring bond data
190: ok 15532 # correct ring bond data
190: ok 15533 # correct ring bond data
190: ok 15534 # correct ring bond data
190: ok 15535 # SSSR size matches reference
190: ok 15536 # correct SSSR count
190: ok 15537 # ring membership passed
190: ok 15538 # correct SSSR count
190: ok 15539 # ring membership passed
190: ok 15540 # correct SSSR count
190: ok 15541 # ring membership passed
190: ok 15542 # correct SSSR count
190: ok 15543 # ring membership passed
190: ok 15544 # correct SSSR count
190: ok 15545 # ring membership passed
190: ok 15546 # correct SSSR count
190: ok 15547 # ring membership passed
190: ok 15548 # correct SSSR count
190: ok 15549 # ring membership passed
190: ok 15550 # correct SSSR count
190: ok 15551 # ring membership passed
190: ok 15552 # correct SSSR count
190: ok 15553 # ring membership passed
190: ok 15554 # correct SSSR count
190: ok 15555 # ring membership passed
190: ok 15556 # correct SSSR count
190: ok 15557 # ring membership passed
190: ok 15558 # correct SSSR count
190: ok 15559 # ring membership passed
190: ok 15560 # correct SSSR count
190: ok 15561 # ring membership passed
190: ok 15562 # correct SSSR count
190: ok 15563 # ring membership passed
190: ok 15564 # correct SSSR count
190: ok 15565 # ring membership passed
190: ok 15566 # correct SSSR count
190: ok 15567 # ring membership passed
190: ok 15568 # correct SSSR count
190: ok 15569 # ring membership passed
190: ok 15570 # correct SSSR count
190: ok 15571 # ring membership passed
190: ok 15572 # correct SSSR count
190: ok 15573 # ring membership passed
190: ok 15574 # correct ring bond data
190: ok 15575 # correct ring bond data
190: ok 15576 # correct ring bond data
190: ok 15577 # correct ring bond data
190: ok 15578 # correct ring bond data
190: ok 15579 # correct ring bond data
190: ok 15580 # correct ring bond data
190: ok 15581 # correct ring bond data
190: ok 15582 # correct ring bond data
190: ok 15583 # correct ring bond data
190: ok 15584 # correct ring bond data
190: ok 15585 # correct ring bond data
190: ok 15586 # correct ring bond data
190: ok 15587 # correct ring bond data
190: ok 15588 # correct ring bond data
190: ok 15589 # correct ring bond data
190: ok 15590 # correct ring bond data
190: ok 15591 # correct ring bond data
190: ok 15592 # correct ring bond data
190: ok 15593 # correct ring bond data
190: ok 15594 # SSSR size matches reference
190: ok 15595 # correct SSSR count
190: ok 15596 # ring membership passed
190: ok 15597 # correct SSSR count
190: ok 15598 # ring membership passed
190: ok 15599 # correct SSSR count
190: ok 15600 # ring membership passed
190: ok 15601 # correct SSSR count
190: ok 15602 # ring membership passed
190: ok 15603 # correct SSSR count
190: ok 15604 # ring membership passed
190: ok 15605 # correct SSSR count
190: ok 15606 # ring membership passed
190: ok 15607 # correct SSSR count
190: ok 15608 # ring membership passed
190: ok 15609 # correct SSSR count
190: ok 15610 # ring membership passed
190: ok 15611 # correct SSSR count
190: ok 15612 # ring membership passed
190: ok 15613 # correct SSSR count
190: ok 15614 # ring membership passed
190: ok 15615 # correct SSSR count
190: ok 15616 # ring membership passed
190: ok 15617 # correct SSSR count
190: ok 15618 # ring membership passed
190: ok 15619 # correct SSSR count
190: ok 15620 # ring membership passed
190: ok 15621 # correct SSSR count
190: ok 15622 # ring membership passed
190: ok 15623 # correct SSSR count
190: ok 15624 # ring membership passed
190: ok 15625 # correct SSSR count
190: ok 15626 # ring membership passed
190: ok 15627 # correct SSSR count
190: ok 15628 # ring membership passed
190: ok 15629 # correct SSSR count
190: ok 15630 # ring membership passed
190: ok 15631 # correct SSSR count
190: ok 15632 # ring membership passed
190: ok 15633 # correct ring bond data
190: ok 15634 # correct ring bond data
190: ok 15635 # correct ring bond data
190: ok 15636 # correct ring bond data
190: ok 15637 # correct ring bond data
190: ok 15638 # correct ring bond data
190: ok 15639 # SSSR size matches reference
190: ok 15640 # correct SSSR count
190: ok 15641 # ring membership passed
190: ok 15642 # correct SSSR count
190: ok 15643 # ring membership passed
190: ok 15644 # correct SSSR count
190: ok 15645 # ring membership passed
190: ok 15646 # correct SSSR count
190: ok 15647 # ring membership passed
190: ok 15648 # correct SSSR count
190: ok 15649 # ring membership passed
190: ok 15650 # correct SSSR count
190: ok 15651 # ring membership passed
190: ok 15652 # correct SSSR count
190: ok 15653 # ring membership passed
190: ok 15654 # correct ring bond data
190: ok 15655 # correct ring bond data
190: ok 15656 # correct ring bond data
190: ok 15657 # correct ring bond data
190: ok 15658 # correct ring bond data
190: ok 15659 # correct ring bond data
190: ok 15660 # SSSR size matches reference
190: ok 15661 # correct SSSR count
190: ok 15662 # ring membership passed
190: ok 15663 # correct SSSR count
190: ok 15664 # ring membership passed
190: ok 15665 # correct SSSR count
190: ok 15666 # ring membership passed
190: ok 15667 # correct SSSR count
190: ok 15668 # ring membership passed
190: ok 15669 # correct SSSR count
190: ok 15670 # ring membership passed
190: ok 15671 # correct SSSR count
190: ok 15672 # ring membership passed
190: ok 15673 # correct SSSR count
190: ok 15674 # ring membership passed
190: ok 15675 # correct ring bond data
190: ok 15676 # correct ring bond data
190: ok 15677 # SSSR size matches reference
190: ok 15678 # correct SSSR count
190: ok 15679 # ring membership passed
190: ok 15680 # correct SSSR count
190: ok 15681 # ring membership passed
190: ok 15682 # correct SSSR count
190: ok 15683 # ring membership passed
190: 1..15683
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4inb_1f6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ipf_1f0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iph_1fj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ips_1g4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ipw_1g7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iq6_iq6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iq7_1g9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iq9_1gb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iqi_cyt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iqk_iqk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iqt_1fo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iqw_1fq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ir3_1fk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ir4_ir4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ir5_ir5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ir6_ir6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ire_pc1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4is0_1r4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4is9_ltf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4isa_gvr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ise_1fw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4isf_1fx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4isg_1fy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ish_1ge.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4isi_1gg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4isk_1jy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4isu_ikm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ite_tey.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4itf_tfy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ith_rcm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iti_1hw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4itj_1hx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4itx_in5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iu6_fz1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iu7_1gm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iue_aj4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iui_1gq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iv2_1gr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iv4_1gs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iva_1j5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ivc_1j6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ivd_15t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ivp_i51.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ivq_i43.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ivr_n50.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ivw_1gj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ivy_1gt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iw1_fud.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iw6_1gu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iwd_1jc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iwo_1h4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iwq_1fv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iwv_1j9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ixc_1jd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ixd_1hv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ixg_ixg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ixh_q21.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ixu_38i.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ixv_xa1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iyg_1hu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4iz0_2bi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4izy_1j2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4j03_fvs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4j0p_1h8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4j0z_1h5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4j17_1hq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4j1c_1ho.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4j1e_1hm.sdf
195: # Unit tests for OBMol 
195: ok 1
195: ok 2!
195: ok 3!
195: ok 4!
195: ok 5!
195: 1..5
196: ==============================
196: *** Open Babel Warning  in InChI code
196:   2Ferrocene :Accepted unusual valence(s): Fe(10); C(5); C-1(4);
196: ==============================
196: *** Open Babel Warning  in InChI code
196:   cancel_charges :Charges neutralized
196: ==============================
196: *** Open Babel Warning  in InChI code
196:   cuneane :Ambiguous stereo: center(s)
196: ==============================
196: *** Open Babel Warning  in InChI code
196:   trad :Accepted unusual valence(s): O-1,d(2); H,t(1)
196: 1..41
196:  # molecules converted
196: ok 1 # InChI matched expected
196: ok 2 # InChI matched expected
196: ok 3 # InChI matched expected
196: ok 4 # InChI matched expected
196: ok 5 # InChI matched expected
196: ok 6 # InChI matched expected
196: ok 7 # InChI matched expected
196: ok 8 # InChI matched expected
196: ok 9 # InChI matched expected
196: ok 10 # ignored empty InChI
196: ok 11 # ignored empty InChI
196: ok 12 # ignored empty InChI
196: ok 13 # InChI matched expected
196: ok 14 # InChI matched expected
196: ok 15 # InChI matched expected
196: ok 16 # InChI matched expected
196: ok 17 # InChI matched expected
196: ok 18 # InChI matched expected
196: ok 19 # InChI matched expected
196: ok 20 # InChI matched expected
196: ok 21 # InChI matched expected
196: ok 22 # InChI matched expected
196: ok 23 # InChI matched expected
196: ok 24 # InChI matched expected
196: ok 25 # InChI matched expected
196: ok 26 # InChI matched expected
196: ok 27 # ignored empty InChI
196: ok 28 # ignored empty InChI
196: ok 29 # InChI matched expected
196: ok 30 # InChI matched expected
196: ok 31 # InChI matched expected
196: ok 32 # InChI matched expected
196: ok 33 # InChI matched expected
196: ok 34 # InChI matched expected
196: ok 35 # InChI matched expected
196: ok 36 # InChI matched expected
196: ok 37 # InChI matched expected
196: ok 38 # InChI matched expected
196: ok 39 # InChI matched expected
196: ok 40 # InChI matched expected
196: ok 41 # InChI matched expected
196: 36 molecules compared
196: # 5 # empty molecules skipped
196: 0 failures
191: # Testing SMARTS...  
191: ok 1 # molecule passed tests
191: ok 2 # molecule passed tests
191: ok 3 # molecule passed tests
191: ok 4 # molecule passed tests
191: ok 5 # molecule passed tests
191: ok 6 # molecule passed tests
191: ok 7 # molecule passed tests
191: ok 8 # molecule passed tests
191: ok 9 # molecule passed tests
191: ok 10 # molecule passed tests
191: ok 11 # molecule passed tests
191: ok 12 # molecule passed tests
191: ok 13 # molecule passed tests
191: ok 14 # molecule passed tests
191: ok 15 # molecule passed tests
191: ok 16 # molecule passed tests
191: ok 17 # molecule passed tests
191: ok 18 # molecule passed tests
191: ok 19 # molecule passed tests
191: ok 20 # molecule passed tests
191: ok 21 # molecule passed tests
191: ok 22 # molecule passed tests
191: ok 23 # molecule passed tests
191: ok 24 # molecule passed tests
191: ok 25 # molecule passed tests
191: ok 26 # molecule passed tests
191: ok 27 # molecule passed tests
191: ok 28 # molecule passed tests
191: ok 29 # molecule passed tests
191: ok 30 # molecule passed tests
191: ok 31 # molecule passed tests
191: ok 32 # molecule passed tests
191: ok 33 # molecule passed tests
191: ok 34 # molecule passed tests
191: ok 35 # molecule passed tests
191: ok 36 # molecule passed tests
191: ok 37 # molecule passed tests
191: ok 38 # molecule passed tests
191: ok 39 # molecule passed tests
191: ok 40 # molecule passed tests
191: ok 41 # molecule passed tests
191: ok 42 # molecule passed tests
191: ok 43 # molecule passed tests
191: ok 44 # molecule passed tests
191: ok 45 # molecule passed tests
191: ok 46 # molecule passed tests
191: ok 47 # molecule passed tests
191: ok 48 # molecule passed tests
191: ok 49 # molecule passed tests
191: ok 50 # molecule passed tests
191: ok 51 # molecule passed tests
191: ok 52 # molecule passed tests
191: ok 53 # molecule passed tests
191: ok 54 # molecule passed tests
191: ok 55 # molecule passed tests
191: ok 56 # molecule passed tests
191: ok 57 # molecule passed tests
191: ok 58 # molecule passed tests
191: ok 59 # molecule passed tests
191: ok 60 # molecule passed tests
191: ok 61 # molecule passed tests
191: ok 62 # molecule passed tests
191: ok 63 # molecule passed tests
191: ok 64 # molecule passed tests
191: ok 65 # molecule passed tests
191: ok 66 # molecule passed tests
191: ok 67 # molecule passed tests
191: ok 68 # molecule passed tests
191: ok 69 # molecule passed tests
191: ok 70 # molecule passed tests
191: ok 71 # molecule passed tests
191: ok 72 # molecule passed tests
191: ok 73 # molecule passed tests
191: ok 74 # molecule passed tests
191: ok 75 # molecule passed tests
191: ok 76 # molecule passed tests
191: ok 77 # molecule passed tests
191: ok 78 # molecule passed tests
191: ok 79 # molecule passed tests
191: ok 80 # molecule passed tests
191: ok 81 # molecule passed tests
191: ok 82 # molecule passed tests
191: ok 83 # molecule passed tests
191: ok 84 # molecule passed tests
191: ok 85 # molecule passed tests
191: ok 86 # molecule passed tests
191: ok 87 # molecule passed tests
191: ok 88 # molecule passed tests
191: ok 89 # molecule passed tests
191: ok 90 # molecule passed tests
191: ok 91 # molecule passed tests
191: ok 92 # molecule passed tests
191: ok 93 # molecule passed tests
191: ok 94 # molecule passed tests
191: ok 95 # molecule passed tests
191: ok 96 # molecule passed tests
191: ok 97 # molecule passed tests
191: ok 98 # molecule passed tests
191: ok 99 # molecule passed tests
191: ok 100 # molecule passed tests
191: ok 101 # molecule passed tests
191: ok 102 # molecule passed tests
191: ok 103 # molecule passed tests
191: ok 104 # molecule passed tests
191: ok 105 # molecule passed tests
191: ok 106 # molecule passed tests
191: ok 107 # molecule passed tests
191: ok 108 # molecule passed tests
191: ok 109 # molecule passed tests
191: ok 110 # molecule passed tests
191: ok 111 # molecule passed tests
191: ok 112 # molecule passed tests
191: ok 113 # molecule passed tests
191: ok 114 # molecule passed tests
191: ok 115 # molecule passed tests
191: ok 116 # molecule passed tests
191: ok 117 # molecule passed tests
191: ok 118 # molecule passed tests
191: ok 119 # molecule passed tests
191: ok 120 # molecule passed tests
191: ok 121 # molecule passed tests
191: ok 122 # molecule passed tests
191: ok 123 # molecule passed tests
191: ok 124 # molecule passed tests
191: ok 125 # molecule passed tests
191: ok 126 # molecule passed tests
191: ok 127 # molecule passed tests
191: ok 128 # molecule passed tests
191: ok 129 # molecule passed tests
191: ok 130 # molecule passed tests
191: ok 131 # molecule passed tests
191: ok 132 # molecule passed tests
191: ok 133 # molecule passed tests
191: ok 134 # molecule passed tests
191: ok 135 # molecule passed tests
191: ok 136 # molecule passed tests
191: ok 137 # molecule passed tests
191: ok 138 # molecule passed tests
191: ok 139 # molecule passed tests
191: ok 140 # molecule passed tests
191: ok 141 # molecule passed tests
191: ok 142 # molecule passed tests
191: ok 143 # molecule passed tests
191: ok 144 # molecule passed tests
191: ok 145 # molecule passed tests
191: ok 146 # molecule passed tests
191: ok 147 # molecule passed tests
191: ok 148 # molecule passed tests
191: ok 149 # molecule passed tests
191: ok 150 # molecule passed tests
191: ok 151 # molecule passed tests
191: ok 152 # molecule passed tests
191: ok 153 # molecule passed tests
191: ok 154 # molecule passed tests
191: ok 155 # molecule passed tests
191: ok 156 # molecule passed tests
191: ok 157 # molecule passed tests
191: ok 158 # molecule passed tests
191: ok 159 # molecule passed tests
191: ok 160 # molecule passed tests
191: ok 161 # molecule passed tests
191: ok 162 # molecule passed tests
191: ok 163 # molecule passed tests
191: ok 164 # molecule passed tests
191: ok 165 # molecule passed tests
191: ok 166 # molecule passed tests
191: ok 167 # molecule passed tests
191: ok 168 # molecule passed tests
191: ok 169 # molecule passed tests
191: ok 170 # molecule passed tests
191: ok 171 # molecule passed tests
191: ok 172 # molecule passed tests
191: ok 173 # molecule passed tests
191: ok 174 # molecule passed tests
191: ok 175 # molecule passed tests
191: ok 176 # molecule passed tests
191: ok 177 # molecule passed tests
191: ok 178 # molecule passed tests
191: ok 179 # molecule passed tests
191: ok 180 # molecule passed tests
191: ok 181 # molecule passed tests
191: ok 182 # molecule passed tests
191: ok 183 # molecule passed tests
191: ok 184 # molecule passed tests
191: ok 185 # molecule passed tests
191: ok 186 # molecule passed tests
191: ok 187 # molecule passed tests
191: ok 188 # molecule passed tests
191: ok 189 # molecule passed tests
191: ok 190 # molecule passed tests
191: ok 191 # molecule passed tests
191: ok 192 # molecule passed tests
191: ok 193 # molecule passed tests
191: ok 194 # molecule passed tests
191: ok 195 # molecule passed tests
191: ok 196 # molecule passed tests
191: ok 197 # molecule passed tests
191: ok 198 # molecule passed tests
191: ok 199 # molecule passed tests
191: ok 200 # molecule passed tests
191: ok 201 # molecule passed tests
191: ok 202 # molecule passed tests
191: ok 203 # molecule passed tests
191: ok 204 # molecule passed tests
191: ok 205 # molecule passed tests
191: ok 206 # molecule passed tests
191: ok 207 # molecule passed tests
191: ok 208 # molecule passed tests
191: ok 209 # molecule passed tests
191: ok 210 # molecule passed tests
191: ok 211 # molecule passed tests
191: ok 212 # molecule passed tests
191: ok 213 # molecule passed tests
191: ok 214 # molecule passed tests
191: ok 215 # molecule passed tests
191: ok 216 # molecule passed tests
191: ok 217 # molecule passed tests
191: ok 218 # molecule passed tests
191: ok 219 # molecule passed tests
191: ok 220 # molecule passed tests
191: ok 221 # molecule passed tests
191: ok 222 # molecule passed tests
191: ok 223 # molecule passed tests
191: ok 224 # molecule passed tests
191: ok 225 # molecule passed tests
191: ok 226 # molecule passed tests
191: ok 227 # molecule passed tests
191: ok 228 # molecule passed tests
191: ok 229 # molecule passed tests
191: ok 230 # molecule passed tests
191: ok 231 # molecule passed tests
191: ok 232 # molecule passed tests
191: ok 233 # molecule passed tests
191: ok 234 # molecule passed tests
191: ok 235 # molecule passed tests
191: ok 236 # molecule passed tests
191: ok 237 # molecule passed tests
191: ok 238 # molecule passed tests
191: ok 239 # molecule passed tests
191: ok 240 # molecule passed tests
191: ok 241 # molecule passed tests
191: ok 242 # molecule passed tests
191: ok 243 # molecule passed tests
191: ok 244 # molecule passed tests
191: ok 245 # molecule passed tests
191: ok 246 # molecule passed tests
191: ok 247 # molecule passed tests
191: ok 248 # molecule passed tests
191: ok 249 # molecule passed tests
191: ok 250 # molecule passed tests
191: ok 251 # molecule passed tests
191: ok 252 # molecule passed tests
191: ok 253 # molecule passed tests
191: ok 254 # molecule passed tests
191: ok 255 # molecule passed tests
191: ok 256 # molecule passed tests
191: ok 257 # molecule passed tests
191: ok 258 # molecule passed tests
191: ok 259 # molecule passed tests
191: ok 260 # molecule passed tests
191: ok 261 # molecule passed tests
191: ok 262 # molecule passed tests
191: ok 263 # molecule passed tests
191: ok 264 # molecule passed tests
191: ok 265 # molecule passed tests
191: ok 266 # molecule passed tests
191: ok 267 # molecule passed tests
191: ok 268 # molecule passed tests
191: ok 269 # molecule passed tests
191: ok 270 # molecule passed tests
191: ok 271 # molecule passed tests
191: ok 272 # molecule passed tests
191: 1..272
193: # Testing SMILES self-matching using SMARTS...  
193: ok 1 # SMARTS matched the SMILES molecule
193: ok 2 # SMARTS matched the SMILES molecule
193: ok 3 # SMARTS matched the SMILES molecule
193: ok 4 # SMARTS matched the SMILES molecule
193: ok 5 # SMARTS matched the SMILES molecule
193: ok 6 # SMARTS matched the SMILES molecule
193: ok 7 # SMARTS matched the SMILES molecule
193: ok 8 # SMARTS matched the SMILES molecule
193: ok 9 # SMARTS matched the SMILES molecule
193: ok 10 # SMARTS matched the SMILES molecule
193: ok 11 # SMARTS matched the SMILES molecule
193: ok 12 # SMARTS matched the SMILES molecule
193: ok 13 # SMARTS matched the SMILES molecule
193: ok 14 # SMARTS matched the SMILES molecule
193: ok 15 # SMARTS matched the SMILES molecule
193: ok 16 # SMARTS matched the SMILES molecule
193: ok 17 # SMARTS matched the SMILES molecule
193: ok 18 # SMARTS matched the SMILES molecule
193: ok 19 # SMARTS matched the SMILES molecule
193: ok 20 # SMARTS matched the SMILES molecule
193: ok 21 # SMARTS matched the SMILES molecule
193: ok 22 # SMARTS matched the SMILES molecule
193: ok 23 # SMARTS matched the SMILES molecule
193: ok 24 # SMARTS matched the SMILES molecule
193: ok 25 # SMARTS matched the SMILES molecule
193: ok 26 # SMARTS matched the SMILES molecule
193: ok 27 # SMARTS matched the SMILES molecule
193: ok 28 # SMARTS matched the SMILES molecule
193: ok 29 # SMARTS matched the SMILES molecule
193: ok 30 # SMARTS matched the SMILES molecule
193: ok 31 # SMARTS matched the SMILES molecule
193: ok 32 # SMARTS matched the SMILES molecule
193: ok 33 # SMARTS matched the SMILES molecule
193: ok 34 # SMARTS matched the SMILES molecule
193: ok 35 # SMARTS matched the SMILES molecule
193: ok 36 # SMARTS matched the SMILES molecule
193: ok 37 # SMARTS matched the SMILES molecule
193: ok 38 # SMARTS matched the SMILES molecule
193: ok 39 # SMARTS matched the SMILES molecule
193: ok 40 # SMARTS matched the SMILES molecule
193: ok 41 # SMARTS matched the SMILES molecule
193: ok 42 # SMARTS matched the SMILES molecule
193: ok 43 # SMARTS matched the SMILES molecule
193: ok 44 # SMARTS matched the SMILES molecule
193: ok 45 # SMARTS matched the SMILES molecule
193: ok 46 # SMARTS matched the SMILES molecule
193: ok 47 # SMARTS matched the SMILES molecule
193: ok 48 # SMARTS matched the SMILES molecule
193: ok 49 # SMARTS matched the SMILES molecule
193: ok 50 # SMARTS matched the SMILES molecule
193: ok 51 # SMARTS matched the SMILES molecule
193: ok 52 # SMARTS matched the SMILES molecule
193: ok 53 # SMARTS matched the SMILES molecule
193: ok 54 # SMARTS matched the SMILES molecule
193: ok 55 # SMARTS matched the SMILES molecule
193: ok 56 # SMARTS matched the SMILES molecule
193: ok 57 # SMARTS matched the SMILES molecule
193: ok 58 # SMARTS matched the SMILES molecule
193: ok 59 # SMARTS matched the SMILES molecule
193: ok 60 # SMARTS matched the SMILES molecule
193: ok 61 # SMARTS matched the SMILES molecule
193: ok 62 # SMARTS matched the SMILES molecule
193: ok 63 # SMARTS matched the SMILES molecule
193: ok 64 # SMARTS matched the SMILES molecule
193: ok 65 # SMARTS matched the SMILES molecule
193: ok 66 # SMARTS matched the SMILES molecule
193: ok 67 # SMARTS matched the SMILES molecule
193: ok 68 # SMARTS matched the SMILES molecule
193: ok 69 # SMARTS matched the SMILES molecule
193: ok 70 # SMARTS matched the SMILES molecule
193: ok 71 # SMARTS matched the SMILES molecule
193: ok 72 # SMARTS matched the SMILES molecule
193: ok 73 # SMARTS matched the SMILES molecule
193: ok 74 # SMARTS matched the SMILES molecule
193: ok 75 # SMARTS matched the SMILES molecule
193: ok 76 # SMARTS matched the SMILES molecule
193: ok 77 # SMARTS matched the SMILES molecule
193: ok 78 # SMARTS matched the SMILES molecule
193: ok 79 # SMARTS matched the SMILES molecule
193: ok 80 # SMARTS matched the SMILES molecule
193: ok 81 # SMARTS matched the SMILES molecule
193: ok 82 # SMARTS matched the SMILES molecule
193: ok 83 # SMARTS matched the SMILES molecule
193: ok 84 # SMARTS matched the SMILES molecule
193: ok 85 # SMARTS matched the SMILES molecule
193: ok 86 # SMARTS matched the SMILES molecule
193: ok 87 # SMARTS matched the SMILES molecule
193: ok 88 # SMARTS matched the SMILES molecule
193: ok 89 # SMARTS matched the SMILES molecule
193: ok 90 # SMARTS matched the SMILES molecule
193: ok 91 # SMARTS matched the SMILES molecule
193: ok 92 # SMARTS matched the SMILES molecule
193: ok 93 # SMARTS matched the SMILES molecule
193: ok 94 # SMARTS matched the SMILES molecule
193: ok 95 # SMARTS matched the SMILES molecule
193: ok 96 # SMARTS matched the SMILES molecule
193: ok 97 # SMARTS matched the SMILES molecule
193: ok 98 # SMARTS matched the SMILES molecule
193: ok 99 # SMARTS matched the SMILES molecule
193: ok 100 # SMARTS matched the SMILES molecule
193: ok 101 # SMARTS matched the SMILES molecule
193: ok 102 # SMARTS matched the SMILES molecule
193: ok 103 # SMARTS matched the SMILES molecule
193: ok 104 # SMARTS matched the SMILES molecule
193: ok 105 # SMARTS matched the SMILES molecule
193: ok 106 # SMARTS matched the SMILES molecule
193: ok 107 # SMARTS matched the SMILES molecule
193: ok 108 # SMARTS matched the SMILES molecule
193: ok 109 # SMARTS matched the SMILES molecule
193: ok 110 # SMARTS matched the SMILES molecule
193: ok 111 # SMARTS matched the SMILES molecule
193: ok 112 # SMARTS matched the SMILES molecule
193: ok 113 # SMARTS matched the SMILES molecule
193: ok 114 # SMARTS matched the SMILES molecule
193: ok 115 # SMARTS matched the SMILES molecule
193: ok 116 # SMARTS matched the SMILES molecule
193: ok 117 # SMARTS matched the SMILES molecule
193: ok 118 # SMARTS matched the SMILES molecule
193: ok 119 # SMARTS matched the SMILES molecule
193: ok 120 # SMARTS matched the SMILES molecule
193: ok 121 # SMARTS matched the SMILES molecule
193: ok 122 # SMARTS matched the SMILES molecule
193: ok 123 # SMARTS matched the SMILES molecule
193: ok 124 # SMARTS matched the SMILES molecule
193: ok 125 # SMARTS matched the SMILES molecule
193: ok 126 # SMARTS matched the SMILES molecule
193: ok 127 # SMARTS matched the SMILES molecule
193: ok 128 # SMARTS matched the SMILES molecule
193: ok 129 # SMARTS matched the SMILES molecule
193: ok 130 # SMARTS matched the SMILES molecule
193: ok 131 # SMARTS matched the SMILES molecule
193: ok 132 # SMARTS matched the SMILES molecule
193: ok 133 # SMARTS matched the SMILES molecule
193: ok 134 # SMARTS matched the SMILES molecule
193: ok 135 # SMARTS matched the SMILES molecule
193: ok 136 # SMARTS matched the SMILES molecule
193: ok 137 # SMARTS matched the SMILES molecule
193: ok 138 # SMARTS matched the SMILES molecule
193: ok 139 # SMARTS matched the SMILES molecule
193: ok 140 # SMARTS matched the SMILES molecule
193: ok 141 # SMARTS matched the SMILES molecule
193: ok 142 # SMARTS matched the SMILES molecule
193: ok 143 # SMARTS matched the SMILES molecule
193: ok 144 # SMARTS matched the SMILES molecule
193: ok 145 # SMARTS matched the SMILES molecule
193: ok 146 # SMARTS matched the SMILES molecule
193: ok 147 # SMARTS matched the SMILES molecule
193: ok 148 # SMARTS matched the SMILES molecule
193: ok 149 # SMARTS matched the SMILES molecule
193: ok 150 # SMARTS matched the SMILES molecule
193: ok 151 # SMARTS matched the SMILES molecule
193: ok 152 # SMARTS matched the SMILES molecule
193: ok 153 # SMARTS matched the SMILES molecule
193: ok 154 # SMARTS matched the SMILES molecule
193: ok 155 # SMARTS matched the SMILES molecule
193: ok 156 # SMARTS matched the SMILES molecule
193: ok 157 # SMARTS matched the SMILES molecule
193: ok 158 # SMARTS matched the SMILES molecule
193: ok 159 # SMARTS matched the SMILES molecule
193: ok 160 # SMARTS matched the SMILES molecule
193: ok 161 # SMARTS matched the SMILES molecule
193: ok 162 # SMARTS matched the SMILES molecule
193: ok 163 # SMARTS matched the SMILES molecule
193: ok 164 # SMARTS matched the SMILES molecule
193: ok 165 # SMARTS matched the SMILES molecule
193: ok 166 # SMARTS matched the SMILES molecule
193: ok 167 # SMARTS matched the SMILES molecule
193: ok 168 # SMARTS matched the SMILES molecule
193: ok 169 # SMARTS matched the SMILES molecule
193: ok 170 # SMARTS matched the SMILES molecule
193: ok 171 # SMARTS matched the SMILES molecule
193: ok 172 # SMARTS matched the SMILES molecule
193: ok 173 # SMARTS matched the SMILES molecule
193: ok 174 # SMARTS matched the SMILES molecule
193: ok 175 # SMARTS matched the SMILES molecule
193: ok 176 # SMARTS matched the SMILES molecule
193: ok 177 # SMARTS matched the SMILES molecule
193: ok 178 # SMARTS matched the SMILES molecule
193: ok 179 # SMARTS matched the SMILES molecule
193: ok 180 # SMARTS matched the SMILES molecule
193: ok 181 # SMARTS matched the SMILES molecule
193: ok 182 # SMARTS matched the SMILES molecule
193: ok 183 # SMARTS matched the SMILES molecule
193: ok 184 # SMARTS matched the SMILES molecule
193: ok 185 # SMARTS matched the SMILES molecule
193: ok 186 # SMARTS matched the SMILES molecule
193: ok 187 # SMARTS matched the SMILES molecule
193: ok 188 # SMARTS matched the SMILES molecule
193: ok 189 # SMARTS matched the SMILES molecule
193: ok 190 # SMARTS matched the SMILES molecule
193: ok 191 # SMARTS matched the SMILES molecule
193: ok 192 # SMARTS matched the SMILES molecule
193: ok 193 # SMARTS matched the SMILES molecule
193: ok 194 # SMARTS matched the SMILES molecule
193: ok 195 # SMARTS matched the SMILES molecule
193: ok 196 # SMARTS matched the SMILES molecule
193: ok 197 # SMARTS matched the SMILES molecule
193: ok 198 # SMARTS matched the SMILES molecule
193: ok 199 # SMARTS matched the SMILES molecule
193: ok 200 # SMARTS matched the SMILES molecule
193: ok 201 # SMARTS matched the SMILES molecule
193: ok 202 # SMARTS matched the SMILES molecule
193: ok 203 # SMARTS matched the SMILES molecule
193: ok 204 # SMARTS matched the SMILES molecule
193: ok 205 # SMARTS matched the SMILES molecule
193: ok 206 # SMARTS matched the SMILES molecule
193: ok 207 # SMARTS matched the SMILES molecule
193: ok 208 # SMARTS matched the SMILES molecule
193: ok 209 # SMARTS matched the SMILES molecule
193: ok 210 # SMARTS matched the SMILES molecule
193: ok 211 # SMARTS matched the SMILES molecule
193: ok 212 # SMARTS matched the SMILES molecule
193: ok 213 # SMARTS matched the SMILES molecule
193: ok 214 # SMARTS matched the SMILES molecule
193: ok 215 # SMARTS matched the SMILES molecule
193: ok 216 # SMARTS matched the SMILES molecule
193: ok 217 # SMARTS matched the SMILES molecule
193: ok 218 # SMARTS matched the SMILES molecule
193: ok 219 # SMARTS matched the SMILES molecule
193: ok 220 # SMARTS matched the SMILES molecule
193: ok 221 # SMARTS matched the SMILES molecule
193: ok 222 # SMARTS matched the SMILES molecule
193: ok 223 # SMARTS matched the SMILES molecule
193: ok 224 # SMARTS matched the SMILES molecule
193: ok 225 # SMARTS matched the SMILES molecule
193: ok 226 # SMARTS matched the SMILES molecule
193: ok 227 # SMARTS matched the SMILES molecule
193: ok 228 # SMARTS matched the SMILES molecule
193: ok 229 # SMARTS matched the SMILES molecule
193: ok 230 # SMARTS matched the SMILES molecule
193: ok 231 # SMARTS matched the SMILES molecule
193: ok 232 # SMARTS matched the SMILES molecule
193: ok 233 # SMARTS matched the SMILES molecule
193: ok 234 # SMARTS matched the SMILES molecule
193: ok 235 # SMARTS matched the SMILES molecule
193: ok 236 # SMARTS matched the SMILES molecule
193: ok 237 # SMARTS matched the SMILES molecule
193: ok 238 # SMARTS matched the SMILES molecule
193: ok 239 # SMARTS matched the SMILES molecule
193: ok 240 # SMARTS matched the SMILES molecule
193: ok 241 # SMARTS matched the SMILES molecule
193: ok 242 # SMARTS matched the SMILES molecule
193: ok 243 # SMARTS matched the SMILES molecule
193: ok 244 # SMARTS matched the SMILES molecule
193: ok 245 # SMARTS matched the SMILES molecule
193: ok 246 # SMARTS matched the SMILES molecule
193: ok 247 # SMARTS matched the SMILES molecule
193: ok 248 # SMARTS matched the SMILES molecule
193: ok 249 # SMARTS matched the SMILES molecule
193: ok 250 # SMARTS matched the SMILES molecule
193: ok 251 # SMARTS matched the SMILES molecule
193: ok 252 # SMARTS matched the SMILES molecule
193: ok 253 # SMARTS matched the SMILES molecule
193: ok 254 # SMARTS matched the SMILES molecule
193: ok 255 # SMARTS matched the SMILES molecule
193: ok 256 # SMARTS matched the SMILES molecule
193: ok 257 # SMARTS matched the SMILES molecule
193: ok 258 # SMARTS matched the SMILES molecule
193: ok 259 # SMARTS matched the SMILES molecule
193: ok 260 # SMARTS matched the SMILES molecule
193: ok 261 # SMARTS matched the SMILES molecule
193: ok 262 # SMARTS matched the SMILES molecule
193: ok 263 # SMARTS matched the SMILES molecule
193: ok 264 # SMARTS matched the SMILES molecule
193: ok 265 # SMARTS matched the SMILES molecule
193: ok 266 # SMARTS matched the SMILES molecule
193: ok 267 # SMARTS matched the SMILES molecule
193: ok 268 # SMARTS matched the SMILES molecule
193: ok 269 # SMARTS matched the SMILES molecule
193: ok 270 # SMARTS matched the SMILES molecule
193: ok 271 # SMARTS matched the SMILES molecule
193: ok 272 # SMARTS matched the SMILES molecule
193: ok 273 # SMARTS matched the SMILES molecule
193: ok 274 # SMARTS matched the SMILES molecule
193: ok 275 # SMARTS matched the SMILES molecule
193: ok 276 # SMARTS matched the SMILES molecule
193: ok 277 # SMARTS matched the SMILES molecule
193: ok 278 # SMARTS matched the SMILES molecule
193: ok 279 # SMARTS matched the SMILES molecule
193: ok 280 # SMARTS matched the SMILES molecule
193: ok 281 # SMARTS matched the SMILES molecule
193: ok 282 # SMARTS matched the SMILES molecule
193: ok 283 # SMARTS matched the SMILES molecule
193: ok 284 # SMARTS matched the SMILES molecule
193: ok 285 # SMARTS matched the SMILES molecule
193: ok 286 # SMARTS matched the SMILES molecule
193: ok 287 # SMARTS matched the SMILES molecule
193: ok 288 # SMARTS matched the SMILES molecule
193: ok 289 # SMARTS matched the SMILES molecule
193: ok 290 # SMARTS matched the SMILES molecule
193: ok 291 # SMARTS matched the SMILES molecule
193: ok 292 # SMARTS matched the SMILES molecule
193: ok 293 # SMARTS matched the SMILES molecule
193: ok 294 # SMARTS matched the SMILES molecule
193: ok 295 # SMARTS matched the SMILES molecule
193: ok 296 # SMARTS matched the SMILES molecule
193: ok 297 # SMARTS matched the SMILES molecule
193: ok 298 # SMARTS matched the SMILES molecule
193: ok 299 # SMARTS matched the SMILES molecule
193: ok 300 # SMARTS matched the SMILES molecule
193: ok 301 # SMARTS matched the SMILES molecule
193: ok 302 # SMARTS matched the SMILES molecule
193: ok 303 # SMARTS matched the SMILES molecule
193: ok 304 # SMARTS matched the SMILES molecule
193: ok 305 # SMARTS matched the SMILES molecule
193: ok 306 # SMARTS matched the SMILES molecule
193: ok 307 # SMARTS matched the SMILES molecule
193: ok 308 # SMARTS matched the SMILES molecule
193: ok 309 # SMARTS matched the SMILES molecule
193: ok 310 # SMARTS matched the SMILES molecule
193: ok 311 # SMARTS matched the SMILES molecule
193: ok 312 # SMARTS matched the SMILES molecule
193: ok 313 # SMARTS matched the SMILES molecule
193: ok 314 # SMARTS matched the SMILES molecule
193: ok 315 # SMARTS matched the SMILES molecule
193: ok 316 # SMARTS matched the SMILES molecule
193: ok 317 # SMARTS matched the SMILES molecule
193: ok 318 # SMARTS matched the SMILES molecule
193: ok 319 # SMARTS matched the SMILES molecule
193: ok 320 # SMARTS matched the SMILES molecule
193: ok 321 # SMARTS matched the SMILES molecule
193: ok 322 # SMARTS matched the SMILES molecule
193: ok 323 # SMARTS matched the SMILES molecule
193: ok 324 # SMARTS matched the SMILES molecule
193: ok 325 # SMARTS matched the SMILES molecule
193: ok 326 # SMARTS matched the SMILES molecule
193: ok 327 # SMARTS matched the SMILES molecule
193: ok 328 # SMARTS matched the SMILES molecule
193: ok 329 # SMARTS matched the SMILES molecule
193: ok 330 # SMARTS matched the SMILES molecule
193: ok 331 # SMARTS matched the SMILES molecule
193: ok 332 # SMARTS matched the SMILES molecule
193: ok 333 # SMARTS matched the SMILES molecule
193: ok 334 # SMARTS matched the SMILES molecule
193: ok 335 # SMARTS matched the SMILES molecule
193: ok 336 # SMARTS matched the SMILES molecule
193: ok 337 # SMARTS matched the SMILES molecule
193: ok 338 # SMARTS matched the SMILES molecule
193: ok 339 # SMARTS matched the SMILES molecule
193: ok 340 # SMARTS matched the SMILES molecule
193: ok 341 # SMARTS matched the SMILES molecule
193: ok 342 # SMARTS matched the SMILES molecule
193: ok 343 # SMARTS matched the SMILES molecule
193: ok 344 # SMARTS matched the SMILES molecule
193: ok 345 # SMARTS matched the SMILES molecule
193: ok 346 # SMARTS matched the SMILES molecule
193: ok 347 # SMARTS matched the SMILES molecule
193: ok 348 # SMARTS matched the SMILES molecule
193: ok 349 # SMARTS matched the SMILES molecule
193: ok 350 # SMARTS matched the SMILES molecule
193: ok 351 # SMARTS matched the SMILES molecule
193: ok 352 # SMARTS matched the SMILES molecule
193: ok 353 # SMARTS matched the SMILES molecule
193: ok 354 # SMARTS matched the SMILES molecule
193: ok 355 # SMARTS matched the SMILES molecule
193: ok 356 # SMARTS matched the SMILES molecule
193: ok 357 # SMARTS matched the SMILES molecule
193: ok 358 # SMARTS matched the SMILES molecule
193: ok 359 # SMARTS matched the SMILES molecule
193: ok 360 # SMARTS matched the SMILES molecule
193: ok 361 # SMARTS matched the SMILES molecule
193: ok 362 # SMARTS matched the SMILES molecule
193: ok 363 # SMARTS matched the SMILES molecule
193: ok 364 # SMARTS matched the SMILES molecule
193: ok 365 # SMARTS matched the SMILES molecule
193: ok 366 # SMARTS matched the SMILES molecule
193: ok 367 # SMARTS matched the SMILES molecule
193: ok 368 # SMARTS matched the SMILES molecule
193: ok 369 # SMARTS matched the SMILES molecule
193: ok 370 # SMARTS matched the SMILES molecule
193: ok 371 # SMARTS matched the SMILES molecule
193: ok 372 # SMARTS matched the SMILES molecule
193: ok 373 # SMARTS matched the SMILES molecule
193: ok 374 # SMARTS matched the SMILES molecule
193: ok 375 # SMARTS matched the SMILES molecule
193: ok 376 # SMARTS matched the SMILES molecule
193: ok 377 # SMARTS matched the SMILES molecule
193: ok 378 # SMARTS matched the SMILES molecule
193: ok 379 # SMARTS matched the SMILES molecule
193: ok 380 # SMARTS matched the SMILES molecule
193: ok 381 # SMARTS matched the SMILES molecule
193: ok 382 # SMARTS matched the SMILES molecule
193: ok 383 # SMARTS matched the SMILES molecule
193: ok 384 # SMARTS matched the SMILES molecule
193: ok 385 # SMARTS matched the SMILES molecule
193: ok 386 # SMARTS matched the SMILES molecule
193: ok 387 # SMARTS matched the SMILES molecule
193: ok 388 # SMARTS matched the SMILES molecule
193: ok 389 # SMARTS matched the SMILES molecule
193: ok 390 # SMARTS matched the SMILES molecule
193: ok 391 # SMARTS matched the SMILES molecule
193: ok 392 # SMARTS matched the SMILES molecule
193: ok 393 # SMARTS matched the SMILES molecule
193: ok 394 # SMARTS matched the SMILES molecule
193: ok 395 # SMARTS matched the SMILES molecule
193: ok 396 # SMARTS matched the SMILES molecule
193: ok 397 # SMARTS matched the SMILES molecule
193: ok 398 # SMARTS matched the SMILES molecule
193: ok 399 # SMARTS matched the SMILES molecule
193: ok 400 # SMARTS matched the SMILES molecule
193: ok 401 # SMARTS matched the SMILES molecule
193: ok 402 # SMARTS matched the SMILES molecule
193: ok 403 # SMARTS matched the SMILES molecule
193: ok 404 # SMARTS matched the SMILES molecule
193: ok 405 # SMARTS matched the SMILES molecule
193: ok 406 # SMARTS matched the SMILES molecule
193: ok 407 # SMARTS matched the SMILES molecule
193: ok 408 # SMARTS matched the SMILES molecule
193: ok 409 # SMARTS matched the SMILES molecule
193: ok 410 # SMARTS matched the SMILES molecule
193: ok 411 # SMARTS matched the SMILES molecule
193: ok 412 # SMARTS matched the SMILES molecule
193: ok 413 # SMARTS matched the SMILES molecule
193: ok 414 # SMARTS matched the SMILES molecule
193: ok 415 # SMARTS matched the SMILES molecule
193: ok 416 # SMARTS matched the SMILES molecule
193: ok 417 # SMARTS matched the SMILES molecule
193: ok 418 # SMARTS matched the SMILES molecule
193: ok 419 # SMARTS matched the SMILES molecule
193: ok 420 # SMARTS matched the SMILES molecule
193: ok 421 # SMARTS matched the SMILES molecule
193: ok 422 # SMARTS matched the SMILES molecule
193: ok 423 # SMARTS matched the SMILES molecule
193: ok 424 # SMARTS matched the SMILES molecule
193: ok 425 # SMARTS matched the SMILES molecule
193: ok 426 # SMARTS matched the SMILES molecule
193: ok 427 # SMARTS matched the SMILES molecule
193: ok 428 # SMARTS matched the SMILES molecule
193: ok 429 # SMARTS matched the SMILES molecule
193: ok 430 # SMARTS matched the SMILES molecule
193: ok 431 # SMARTS matched the SMILES molecule
193: ok 432 # SMARTS matched the SMILES molecule
193: ok 433 # SMARTS matched the SMILES molecule
193: ok 434 # SMARTS matched the SMILES molecule
193: ok 435 # SMARTS matched the SMILES molecule
193: ok 436 # SMARTS matched the SMILES molecule
193: ok 437 # SMARTS matched the SMILES molecule
193: ok 438 # SMARTS matched the SMILES molecule
193: ok 439 # SMARTS matched the SMILES molecule
193: ok 440 # SMARTS matched the SMILES molecule
193: ok 441 # SMARTS matched the SMILES molecule
193: ok 442 # SMARTS matched the SMILES molecule
193: ok 443 # SMARTS matched the SMILES molecule
193: ok 444 # SMARTS matched the SMILES molecule
193: ok 445 # SMARTS matched the SMILES molecule
193: ok 446 # SMARTS matched the SMILES molecule
193: ok 447 # SMARTS matched the SMILES molecule
193: ok 448 # SMARTS matched the SMILES molecule
193: ok 449 # SMARTS matched the SMILES molecule
193: ok 450 # SMARTS matched the SMILES molecule
193: ok 451 # SMARTS matched the SMILES molecule
193: ok 452 # SMARTS matched the SMILES molecule
193: ok 453 # SMARTS matched the SMILES molecule
193: ok 454 # SMARTS matched the SMILES molecule
193: ok 455 # SMARTS matched the SMILES molecule
193: ok 456 # SMARTS matched the SMILES molecule
193: ok 457 # SMARTS matched the SMILES molecule
193: ok 458 # SMARTS matched the SMILES molecule
193: ok 459 # SMARTS matched the SMILES molecule
193: ok 460 # SMARTS matched the SMILES molecule
193: ok 461 # SMARTS matched the SMILES molecule
193: ok 462 # SMARTS matched the SMILES molecule
193: ok 463 # SMARTS matched the SMILES molecule
193: ok 464 # SMARTS matched the SMILES molecule
193: ok 465 # SMARTS matched the SMILES molecule
193: ok 466 # SMARTS matched the SMILES molecule
193: ok 467 # SMARTS matched the SMILES molecule
193: ok 468 # SMARTS matched the SMILES molecule
193: ok 469 # SMARTS matched the SMILES molecule
193: ok 470 # SMARTS matched the SMILES molecule
193: ok 471 # SMARTS matched the SMILES molecule
193: ok 472 # SMARTS matched the SMILES molecule
193: ok 473 # SMARTS matched the SMILES molecule
193: ok 474 # SMARTS matched the SMILES molecule
193: ok 475 # SMARTS matched the SMILES molecule
193: ok 476 # SMARTS matched the SMILES molecule
193: ok 477 # SMARTS matched the SMILES molecule
193: ok 478 # SMARTS matched the SMILES molecule
193: ok 479 # SMARTS matched the SMILES molecule
193: ok 480 # SMARTS matched the SMILES molecule
193: ok 481 # SMARTS matched the SMILES molecule
193: ok 482 # SMARTS matched the SMILES molecule
193: ok 483 # SMARTS matched the SMILES molecule
193: ok 484 # SMARTS matched the SMILES molecule
193: ok 485 # SMARTS matched the SMILES molecule
193: ok 486 # SMARTS matched the SMILES molecule
193: ok 487 # SMARTS matched the SMILES molecule
193: ok 488 # SMARTS matched the SMILES molecule
193: ok 489 # SMARTS matched the SMILES molecule
193: ok 490 # SMARTS matched the SMILES molecule
193: ok 491 # SMARTS matched the SMILES molecule
193: ok 492 # SMARTS matched the SMILES molecule
193: ok 493 # SMARTS matched the SMILES molecule
193: ok 494 # SMARTS matched the SMILES molecule
193: ok 495 # SMARTS matched the SMILES molecule
193: ok 496 # SMARTS matched the SMILES molecule
193: ok 497 # SMARTS matched the SMILES molecule
193: ok 498 # SMARTS matched the SMILES molecule
193: ok 499 # SMARTS matched the SMILES molecule
193: ok 500 # SMARTS matched the SMILES molecule
193: ok 501 # SMARTS matched the SMILES molecule
193: ok 502 # SMARTS matched the SMILES molecule
193: ok 503 # SMARTS matched the SMILES molecule
193: ok 504 # SMARTS matched the SMILES molecule
193: ok 505 # SMARTS matched the SMILES molecule
193: ok 506 # SMARTS matched the SMILES molecule
193: ok 507 # SMARTS matched the SMILES molecule
193: ok 508 # SMARTS matched the SMILES molecule
193: ok 509 # SMARTS matched the SMILES molecule
193: ok 510 # SMARTS matched the SMILES molecule
193: ok 511 # SMARTS matched the SMILES molecule
193: ok 512 # SMARTS matched the SMILES molecule
193: ok 513 # SMARTS matched the SMILES molecule
193: ok 514 # SMARTS matched the SMILES molecule
193: ok 515 # SMARTS matched the SMILES molecule
193: ok 516 # SMARTS matched the SMILES molecule
193: ok 517 # SMARTS matched the SMILES molecule
193: ok 518 # SMARTS matched the SMILES molecule
193: ok 519 # SMARTS matched the SMILES molecule
193: ok 520 # SMARTS matched the SMILES molecule
193: ok 521 # SMARTS matched the SMILES molecule
193: ok 522 # SMARTS matched the SMILES molecule
193: ok 523 # SMARTS matched the SMILES molecule
193: ok 524 # SMARTS matched the SMILES molecule
193: ok 525 # SMARTS matched the SMILES molecule
193: ok 526 # SMARTS matched the SMILES molecule
193: ok 527 # SMARTS matched the SMILES molecule
193: ok 528 # SMARTS matched the SMILES molecule
193: ok 529 # SMARTS matched the SMILES molecule
193: ok 530 # SMARTS matched the SMILES molecule
193: ok 531 # SMARTS matched the SMILES molecule
193: ok 532 # SMARTS matched the SMILES molecule
193: ok 533 # SMARTS matched the SMILES molecule
193: ok 534 # SMARTS matched the SMILES molecule
193: ok 535 # SMARTS matched the SMILES molecule
193: ok 536 # SMARTS matched the SMILES molecule
193: ok 537 # SMARTS matched the SMILES molecule
193: ok 538 # SMARTS matched the SMILES molecule
193: ok 539 # SMARTS matched the SMILES molecule
193: ok 540 # SMARTS matched the SMILES molecule
193: ok 541 # SMARTS matched the SMILES molecule
193: ok 542 # SMARTS matched the SMILES molecule
193: ok 543 # SMARTS matched the SMILES molecule
193: ok 544 # SMARTS matched the SMILES molecule
193: ok 545 # SMARTS matched the SMILES molecule
193: ok 546 # SMARTS matched the SMILES molecule
193: ok 547 # SMARTS matched the SMILES molecule
193: ok 548 # SMARTS matched the SMILES molecule
193: ok 549 # SMARTS matched the SMILES molecule
193: ok 550 # SMARTS matched the SMILES molecule
193: ok 551 # SMARTS matched the SMILES molecule
193: ok 552 # SMARTS matched the SMILES molecule
193: ok 553 # SMARTS matched the SMILES molecule
193: ok 554 # SMARTS matched the SMILES molecule
193: ok 555 # SMARTS matched the SMILES molecule
193: ok 556 # SMARTS matched the SMILES molecule
193: ok 557 # SMARTS matched the SMILES molecule
193: ok 558 # SMARTS matched the SMILES molecule
193: ok 559 # SMARTS matched the SMILES molecule
193: ok 560 # SMARTS matched the SMILES molecule
193: ok 561 # SMARTS matched the SMILES molecule
193: ok 562 # SMARTS matched the SMILES molecule
193: ok 563 # SMARTS matched the SMILES molecule
193: ok 564 # SMARTS matched the SMILES molecule
193: ok 565 # SMARTS matched the SMILES molecule
193: ok 566 # SMARTS matched the SMILES molecule
193: ok 567 # SMARTS matched the SMILES molecule
193: ok 568 # SMARTS matched the SMILES molecule
193: ok 569 # SMARTS matched the SMILES molecule
193: ok 570 # SMARTS matched the SMILES molecule
193: ok 571 # SMARTS matched the SMILES molecule
193: ok 572 # SMARTS matched the SMILES molecule
193: ok 573 # SMARTS matched the SMILES molecule
193: ok 574 # SMARTS matched the SMILES molecule
193: ok 575 # SMARTS matched the SMILES molecule
193: ok 576 # SMARTS matched the SMILES molecule
193: ok 577 # SMARTS matched the SMILES molecule
193: ok 578 # SMARTS matched the SMILES molecule
193: ok 579 # SMARTS matched the SMILES molecule
193: ok 580 # SMARTS matched the SMILES molecule
193: ok 581 # SMARTS matched the SMILES molecule
193: ok 582 # SMARTS matched the SMILES molecule
193: ok 583 # SMARTS matched the SMILES molecule
193: ok 584 # SMARTS matched the SMILES molecule
193: ok 585 # SMARTS matched the SMILES molecule
193: ok 586 # SMARTS matched the SMILES molecule
193: ok 587 # SMARTS matched the SMILES molecule
193: ok 588 # SMARTS matched the SMILES molecule
193: ok 589 # SMARTS matched the SMILES molecule
193: ok 590 # SMARTS matched the SMILES molecule
193: ok 591 # SMARTS matched the SMILES molecule
193: ok 592 # SMARTS matched the SMILES molecule
193: ok 593 # SMARTS matched the SMILES molecule
193: ok 594 # SMARTS matched the SMILES molecule
193: ok 595 # SMARTS matched the SMILES molecule
193: ok 596 # SMARTS matched the SMILES molecule
193: ok 597 # SMARTS matched the SMILES molecule
193: ok 598 # SMARTS matched the SMILES molecule
193: ok 599 # SMARTS matched the SMILES molecule
193: ok 600 # SMARTS matched the SMILES molecule
193: ok 601 # SMARTS matched the SMILES molecule
193: ok 602 # SMARTS matched the SMILES molecule
193: ok 603 # SMARTS matched the SMILES molecule
193: ok 604 # SMARTS matched the SMILES molecule
193: ok 605 # SMARTS matched the SMILES molecule
193: ok 606 # SMARTS matched the SMILES molecule
193: ok 607 # SMARTS matched the SMILES molecule
193: ok 608 # SMARTS matched the SMILES molecule
193: ok 609 # SMARTS matched the SMILES molecule
193: ok 610 # SMARTS matched the SMILES molecule
193: ok 611 # SMARTS matched the SMILES molecule
193: ok 612 # SMARTS matched the SMILES molecule
193: ok 613 # SMARTS matched the SMILES molecule
193: ok 614 # SMARTS matched the SMILES molecule
193: ok 615 # SMARTS matched the SMILES molecule
193: ok 616 # SMARTS matched the SMILES molecule
193: ok 617 # SMARTS matched the SMILES molecule
193: ok 618 # SMARTS matched the SMILES molecule
193: ok 619 # SMARTS matched the SMILES molecule
193: ok 620 # SMARTS matched the SMILES molecule
193: ok 621 # SMARTS matched the SMILES molecule
193: ok 622 # SMARTS matched the SMILES molecule
193: ok 623 # SMARTS matched the SMILES molecule
193: ok 624 # SMARTS matched the SMILES molecule
193: ok 625 # SMARTS matched the SMILES molecule
193: ok 626 # SMARTS matched the SMILES molecule
193: ok 627 # SMARTS matched the SMILES molecule
193: ok 628 # SMARTS matched the SMILES molecule
193: ok 629 # SMARTS matched the SMILES molecule
193: ok 630 # SMARTS matched the SMILES molecule
193: ok 631 # SMARTS matched the SMILES molecule
193: ok 632 # SMARTS matched the SMILES molecule
193: ok 633 # SMARTS matched the SMILES molecule
193: ok 634 # SMARTS matched the SMILES molecule
193: ok 635 # SMARTS matched the SMILES molecule
193: ok 636 # SMARTS matched the SMILES molecule
193: ok 637 # SMARTS matched the SMILES molecule
193: ok 638 # SMARTS matched the SMILES molecule
193: ok 639 # SMARTS matched the SMILES molecule
193: ok 640 # SMARTS matched the SMILES molecule
193: ok 641 # SMARTS matched the SMILES molecule
193: ok 642 # SMARTS matched the SMILES molecule
193: ok 643 # SMARTS matched the SMILES molecule
193: ok 644 # SMARTS matched the SMILES molecule
193: ok 645 # SMARTS matched the SMILES molecule
193: ok 646 # SMARTS matched the SMILES molecule
193: ok 647 # SMARTS matched the SMILES molecule
193: ok 648 # SMARTS matched the SMILES molecule
193: ok 649 # SMARTS matched the SMILES molecule
193: ok 650 # SMARTS matched the SMILES molecule
193: ok 651 # SMARTS matched the SMILES molecule
193: ok 652 # SMARTS matched the SMILES molecule
193: ok 653 # SMARTS matched the SMILES molecule
193: ok 654 # SMARTS matched the SMILES molecule
193: ok 655 # SMARTS matched the SMILES molecule
193: ok 656 # SMARTS matched the SMILES molecule
193: ok 657 # SMARTS matched the SMILES molecule
193: ok 658 # SMARTS matched the SMILES molecule
193: ok 659 # SMARTS matched the SMILES molecule
193: ok 660 # SMARTS matched the SMILES molecule
193: ok 661 # SMARTS matched the SMILES molecule
193: ok 662 # SMARTS matched the SMILES molecule
193: ok 663 # SMARTS matched the SMILES molecule
193: ok 664 # SMARTS matched the SMILES molecule
193: ok 665 # SMARTS matched the SMILES molecule
193: ok 666 # SMARTS matched the SMILES molecule
193: ok 667 # SMARTS matched the SMILES molecule
193: ok 668 # SMARTS matched the SMILES molecule
193: ok 669 # SMARTS matched the SMILES molecule
193: ok 670 # SMARTS matched the SMILES molecule
193: ok 671 # SMARTS matched the SMILES molecule
193: ok 672 # SMARTS matched the SMILES molecule
193: ok 673 # SMARTS matched the SMILES molecule
193: ok 674 # SMARTS matched the SMILES molecule
193: ok 675 # SMARTS matched the SMILES molecule
193: ok 676 # SMARTS matched the SMILES molecule
193: ok 677 # SMARTS matched the SMILES molecule
193: ok 678 # SMARTS matched the SMILES molecule
193: ok 679 # SMARTS matched the SMILES molecule
193: ok 680 # SMARTS matched the SMILES molecule
193: ok 681 # SMARTS matched the SMILES molecule
193: ok 682 # SMARTS matched the SMILES molecule
193: ok 683 # SMARTS matched the SMILES molecule
193: ok 684 # SMARTS matched the SMILES molecule
193: ok 685 # SMARTS matched the SMILES molecule
193: ok 686 # SMARTS matched the SMILES molecule
193: ok 687 # SMARTS matched the SMILES molecule
193: ok 688 # SMARTS matched the SMILES molecule
193: ok 689 # SMARTS matched the SMILES molecule
193: ok 690 # SMARTS matched the SMILES molecule
193: ok 691 # SMARTS matched the SMILES molecule
193: ok 692 # SMARTS matched the SMILES molecule
193: ok 693 # SMARTS matched the SMILES molecule
193: ok 694 # SMARTS matched the SMILES molecule
193: ok 695 # SMARTS matched the SMILES molecule
193: ok 696 # SMARTS matched the SMILES molecule
193: ok 697 # SMARTS matched the SMILES molecule
193: ok 698 # SMARTS matched the SMILES molecule
193: ok 699 # SMARTS matched the SMILES molecule
193: ok 700 # SMARTS matched the SMILES molecule
193: ok 701 # SMARTS matched the SMILES molecule
193: ok 702 # SMARTS matched the SMILES molecule
193: ok 703 # SMARTS matched the SMILES molecule
193: ok 704 # SMARTS matched the SMILES molecule
193: ok 705 # SMARTS matched the SMILES molecule
193: ok 706 # SMARTS matched the SMILES molecule
193: ok 707 # SMARTS matched the SMILES molecule
193: ok 708 # SMARTS matched the SMILES molecule
193: ok 709 # SMARTS matched the SMILES molecule
193: ok 710 # SMARTS matched the SMILES molecule
193: ok 711 # SMARTS matched the SMILES molecule
193: ok 712 # SMARTS matched the SMILES molecule
193: ok 713 # SMARTS matched the SMILES molecule
193: ok 714 # SMARTS matched the SMILES molecule
193: ok 715 # SMARTS matched the SMILES molecule
193: ok 716 # SMARTS matched the SMILES molecule
193: ok 717 # SMARTS matched the SMILES molecule
193: ok 718 # SMARTS matched the SMILES molecule
193: ok 719 # SMARTS matched the SMILES molecule
193: ok 720 # SMARTS matched the SMILES molecule
193: ok 721 # SMARTS matched the SMILES molecule
193: ok 722 # SMARTS matched the SMILES molecule
193: ok 723 # SMARTS matched the SMILES molecule
193: ok 724 # SMARTS matched the SMILES molecule
193: ok 725 # SMARTS matched the SMILES molecule
193: ok 726 # SMARTS matched the SMILES molecule
193: ok 727 # SMARTS matched the SMILES molecule
193: ok 728 # SMARTS matched the SMILES molecule
193: ok 729 # SMARTS matched the SMILES molecule
193: ok 730 # SMARTS matched the SMILES molecule
193: ok 731 # SMARTS matched the SMILES molecule
193: ok 732 # SMARTS matched the SMILES molecule
193: ok 733 # SMARTS matched the SMILES molecule
193: ok 734 # SMARTS matched the SMILES molecule
193: ok 735 # SMARTS matched the SMILES molecule
193: ok 736 # SMARTS matched the SMILES molecule
193: ok 737 # SMARTS matched the SMILES molecule
193: ok 738 # SMARTS matched the SMILES molecule
193: ok 739 # SMARTS matched the SMILES molecule
193: ok 740 # SMARTS matched the SMILES molecule
193: ok 741 # SMARTS matched the SMILES molecule
193: ok 742 # SMARTS matched the SMILES molecule
193: ok 743 # SMARTS matched the SMILES molecule
193: ok 744 # SMARTS matched the SMILES molecule
193: ok 745 # SMARTS matched the SMILES molecule
193: ok 746 # SMARTS matched the SMILES molecule
193: ok 747 # SMARTS matched the SMILES molecule
193: ok 748 # SMARTS matched the SMILES molecule
193: ok 749 # SMARTS matched the SMILES molecule
193: ok 750 # SMARTS matched the SMILES molecule
193: ok 751 # SMARTS matched the SMILES molecule
193: ok 752 # SMARTS matched the SMILES molecule
193: ok 753 # SMARTS matched the SMILES molecule
193: ok 754 # SMARTS matched the SMILES molecule
193: ok 755 # SMARTS matched the SMILES molecule
193: ok 756 # SMARTS matched the SMILES molecule
193: ok 757 # SMARTS matched the SMILES molecule
193: ok 758 # SMARTS matched the SMILES molecule
193: ok 759 # SMARTS matched the SMILES molecule
193: ok 760 # SMARTS matched the SMILES molecule
193: ok 761 # SMARTS matched the SMILES molecule
193: ok 762 # SMARTS matched the SMILES molecule
193: ok 763 # SMARTS matched the SMILES molecule
193: ok 764 # SMARTS matched the SMILES molecule
193: ok 765 # SMARTS matched the SMILES molecule
193: ok 766 # SMARTS matched the SMILES molecule
193: ok 767 # SMARTS matched the SMILES molecule
193: ok 768 # SMARTS matched the SMILES molecule
193: ok 769 # SMARTS matched the SMILES molecule
193: ok 770 # SMARTS matched the SMILES molecule
193: ok 771 # SMARTS matched the SMILES molecule
193: ok 772 # SMARTS matched the SMILES molecule
193: ok 773 # SMARTS matched the SMILES molecule
193: ok 774 # SMARTS matched the SMILES molecule
193: ok 775 # SMARTS matched the SMILES molecule
193: ok 776 # SMARTS matched the SMILES molecule
193: ok 777 # SMARTS matched the SMILES molecule
193: ok 778 # SMARTS matched the SMILES molecule
193: ok 779 # SMARTS matched the SMILES molecule
193: ok 780 # SMARTS matched the SMILES molecule
193: ok 781 # SMARTS matched the SMILES molecule
193: ok 782 # SMARTS matched the SMILES molecule
193: ok 783 # SMARTS matched the SMILES molecule
193: ok 784 # SMARTS matched the SMILES molecule
193: ok 785 # SMARTS matched the SMILES molecule
193: ok 786 # SMARTS matched the SMILES molecule
193: ok 787 # SMARTS matched the SMILES molecule
193: ok 788 # SMARTS matched the SMILES molecule
193: ok 789 # SMARTS matched the SMILES molecule
193: ok 790 # SMARTS matched the SMILES molecule
193: ok 791 # SMARTS matched the SMILES molecule
193: ok 792 # SMARTS matched the SMILES molecule
193: ok 793 # SMARTS matched the SMILES molecule
193: ok 794 # SMARTS matched the SMILES molecule
193: ok 795 # SMARTS matched the SMILES molecule
193: ok 796 # SMARTS matched the SMILES molecule
193: ok 797 # SMARTS matched the SMILES molecule
193: ok 798 # SMARTS matched the SMILES molecule
193: ok 799 # SMARTS matched the SMILES molecule
193: ok 800 # SMARTS matched the SMILES molecule
193: ok 801 # SMARTS matched the SMILES molecule
193: ok 802 # SMARTS matched the SMILES molecule
193: ok 803 # SMARTS matched the SMILES molecule
193: ok 804 # SMARTS matched the SMILES molecule
193: ok 805 # SMARTS matched the SMILES molecule
193: ok 806 # SMARTS matched the SMILES molecule
193: ok 807 # SMARTS matched the SMILES molecule
193: ok 808 # SMARTS matched the SMILES molecule
193: ok 809 # SMARTS matched the SMILES molecule
193: ok 810 # SMARTS matched the SMILES molecule
193: ok 811 # SMARTS matched the SMILES molecule
193: ok 812 # SMARTS matched the SMILES molecule
193: ok 813 # SMARTS matched the SMILES molecule
193: ok 814 # SMARTS matched the SMILES molecule
193: ok 815 # SMARTS matched the SMILES molecule
193: ok 816 # SMARTS matched the SMILES molecule
193: ok 817 # SMARTS matched the SMILES molecule
193: ok 818 # SMARTS matched the SMILES molecule
193: ok 819 # SMARTS matched the SMILES molecule
193: ok 820 # SMARTS matched the SMILES molecule
193: ok 821 # SMARTS matched the SMILES molecule
193: ok 822 # SMARTS matched the SMILES molecule
193: ok 823 # SMARTS matched the SMILES molecule
193: ok 824 # SMARTS matched the SMILES molecule
193: ok 825 # SMARTS matched the SMILES molecule
193: ok 826 # SMARTS matched the SMILES molecule
193: ok 827 # SMARTS matched the SMILES molecule
193: ok 828 # SMARTS matched the SMILES molecule
193: ok 829 # SMARTS matched the SMILES molecule
193: ok 830 # SMARTS matched the SMILES molecule
193: ok 831 # SMARTS matched the SMILES molecule
193: ok 832 # SMARTS matched the SMILES molecule
193: ok 833 # SMARTS matched the SMILES molecule
193: ok 834 # SMARTS matched the SMILES molecule
193: ok 835 # SMARTS matched the SMILES molecule
193: ok 836 # SMARTS matched the SMILES molecule
193: ok 837 # SMARTS matched the SMILES molecule
193: ok 838 # SMARTS matched the SMILES molecule
193: ok 839 # SMARTS matched the SMILES molecule
193: ok 840 # SMARTS matched the SMILES molecule
193: ok 841 # SMARTS matched the SMILES molecule
193: ok 842 # SMARTS matched the SMILES molecule
193: ok 843 # SMARTS matched the SMILES molecule
193: ok 844 # SMARTS matched the SMILES molecule
193: ok 845 # SMARTS matched the SMILES molecule
193: ok 846 # SMARTS matched the SMILES molecule
193: ok 847 # SMARTS matched the SMILES molecule
193: ok 848 # SMARTS matched the SMILES molecule
193: ok 849 # SMARTS matched the SMILES molecule
193: ok 850 # SMARTS matched the SMILES molecule
193: ok 851 # SMARTS matched the SMILES molecule
193: ok 852 # SMARTS matched the SMILES molecule
193: ok 853 # SMARTS matched the SMILES molecule
193: ok 854 # SMARTS matched the SMILES molecule
193: ok 855 # SMARTS matched the SMILES molecule
193: ok 856 # SMARTS matched the SMILES molecule
193: ok 857 # SMARTS matched the SMILES molecule
193: ok 858 # SMARTS matched the SMILES molecule
193: ok 859 # SMARTS matched the SMILES molecule
193: ok 860 # SMARTS matched the SMILES molecule
193: ok 861 # SMARTS matched the SMILES molecule
193: ok 862 # SMARTS matched the SMILES molecule
193: ok 863 # SMARTS matched the SMILES molecule
193: ok 864 # SMARTS matched the SMILES molecule
193: ok 865 # SMARTS matched the SMILES molecule
193: ok 866 # SMARTS matched the SMILES molecule
193: ok 867 # SMARTS matched the SMILES molecule
193: ok 868 # SMARTS matched the SMILES molecule
193: ok 869 # SMARTS matched the SMILES molecule
193: ok 870 # SMARTS matched the SMILES molecule
193: ok 871 # SMARTS matched the SMILES molecule
193: ok 872 # SMARTS matched the SMILES molecule
193: ok 873 # SMARTS matched the SMILES molecule
193: ok 874 # SMARTS matched the SMILES molecule
193: ok 875 # SMARTS matched the SMILES molecule
193: ok 876 # SMARTS matched the SMILES molecule
193: ok 877 # SMARTS matched the SMILES molecule
193: ok 878 # SMARTS matched the SMILES molecule
193: ok 879 # SMARTS matched the SMILES molecule
193: ok 880 # SMARTS matched the SMILES molecule
193: ok 881 # SMARTS matched the SMILES molecule
193: ok 882 # SMARTS matched the SMILES molecule
193: ok 883 # SMARTS matched the SMILES molecule
193: ok 884 # SMARTS matched the SMILES molecule
193: ok 885 # SMARTS matched the SMILES molecule
193: ok 886 # SMARTS matched the SMILES molecule
193: ok 887 # SMARTS matched the SMILES molecule
193: ok 888 # SMARTS matched the SMILES molecule
193: ok 889 # SMARTS matched the SMILES molecule
193: ok 890 # SMARTS matched the SMILES molecule
193: ok 891 # SMARTS matched the SMILES molecule
193: ok 892 # SMARTS matched the SMILES molecule
193: ok 893 # SMARTS matched the SMILES molecule
193: ok 894 # SMARTS matched the SMILES molecule
193: ok 895 # SMARTS matched the SMILES molecule
193: ok 896 # SMARTS matched the SMILES molecule
193: ok 897 # SMARTS matched the SMILES molecule
193: ok 898 # SMARTS matched the SMILES molecule
193: ok 899 # SMARTS matched the SMILES molecule
193: ok 900 # SMARTS matched the SMILES molecule
193: ok 901 # SMARTS matched the SMILES molecule
193: ok 902 # SMARTS matched the SMILES molecule
193: ok 903 # SMARTS matched the SMILES molecule
193: ok 904 # SMARTS matched the SMILES molecule
193: ok 905 # SMARTS matched the SMILES molecule
193: ok 906 # SMARTS matched the SMILES molecule
193: ok 907 # SMARTS matched the SMILES molecule
193: ok 908 # SMARTS matched the SMILES molecule
193: ok 909 # SMARTS matched the SMILES molecule
193: ok 910 # SMARTS matched the SMILES molecule
193: ok 911 # SMARTS matched the SMILES molecule
193: ok 912 # SMARTS matched the SMILES molecule
193: ok 913 # SMARTS matched the SMILES molecule
193: ok 914 # SMARTS matched the SMILES molecule
193: ok 915 # SMARTS matched the SMILES molecule
193: ok 916 # SMARTS matched the SMILES molecule
193: ok 917 # SMARTS matched the SMILES molecule
193: ok 918 # SMARTS matched the SMILES molecule
193: ok 919 # SMARTS matched the SMILES molecule
193: ok 920 # SMARTS matched the SMILES molecule
193: ok 921 # SMARTS matched the SMILES molecule
193: ok 922 # SMARTS matched the SMILES molecule
193: ok 923 # SMARTS matched the SMILES molecule
193: ok 924 # SMARTS matched the SMILES molecule
193: ok 925 # SMARTS matched the SMILES molecule
193: ok 926 # SMARTS matched the SMILES molecule
193: ok 927 # SMARTS matched the SMILES molecule
193: ok 928 # SMARTS matched the SMILES molecule
193: ok 929 # SMARTS matched the SMILES molecule
193: ok 930 # SMARTS matched the SMILES molecule
193: ok 931 # SMARTS matched the SMILES molecule
193: ok 932 # SMARTS matched the SMILES molecule
193: ok 933 # SMARTS matched the SMILES molecule
193: ok 934 # SMARTS matched the SMILES molecule
193: ok 935 # SMARTS matched the SMILES molecule
193: ok 936 # SMARTS matched the SMILES molecule
193: ok 937 # SMARTS matched the SMILES molecule
193: ok 938 # SMARTS matched the SMILES molecule
193: ok 939 # SMARTS matched the SMILES molecule
193: ok 940 # SMARTS matched the SMILES molecule
193: ok 941 # SMARTS matched the SMILES molecule
193: ok 942 # SMARTS matched the SMILES molecule
193: ok 943 # SMARTS matched the SMILES molecule
193: ok 944 # SMARTS matched the SMILES molecule
193: ok 945 # SMARTS matched the SMILES molecule
193: ok 946 # SMARTS matched the SMILES molecule
193: ok 947 # SMARTS matched the SMILES molecule
193: ok 948 # SMARTS matched the SMILES molecule
193: ok 949 # SMARTS matched the SMILES molecule
193: ok 950 # SMARTS matched the SMILES molecule
193: ok 951 # SMARTS matched the SMILES molecule
193: ok 952 # SMARTS matched the SMILES molecule
193: ok 953 # SMARTS matched the SMILES molecule
193: ok 954 # SMARTS matched the SMILES molecule
193: ok 955 # SMARTS matched the SMILES molecule
193: ok 956 # SMARTS matched the SMILES molecule
193: ok 957 # SMARTS matched the SMILES molecule
193: ok 958 # SMARTS matched the SMILES molecule
193: ok 959 # SMARTS matched the SMILES molecule
193: ok 960 # SMARTS matched the SMILES molecule
193: ok 961 # SMARTS matched the SMILES molecule
193: ok 962 # SMARTS matched the SMILES molecule
193: ok 963 # SMARTS matched the SMILES molecule
193: ok 964 # SMARTS matched the SMILES molecule
193: ok 965 # SMARTS matched the SMILES molecule
193: ok 966 # SMARTS matched the SMILES molecule
193: ok 967 # SMARTS matched the SMILES molecule
193: ok 968 # SMARTS matched the SMILES molecule
193: ok 969 # SMARTS matched the SMILES molecule
193: ok 970 # SMARTS matched the SMILES molecule
193: ok 971 # SMARTS matched the SMILES molecule
193: ok 972 # SMARTS matched the SMILES molecule
193: ok 973 # SMARTS matched the SMILES molecule
193: ok 974 # SMARTS matched the SMILES molecule
193: ok 975 # SMARTS matched the SMILES molecule
193: ok 976 # SMARTS matched the SMILES molecule
193: ok 977 # SMARTS matched the SMILES molecule
193: ok 978 # SMARTS matched the SMILES molecule
193: ok 979 # SMARTS matched the SMILES molecule
193: ok 980 # SMARTS matched the SMILES molecule
193: ok 981 # SMARTS matched the SMILES molecule
193: ok 982 # SMARTS matched the SMILES molecule
193: ok 983 # SMARTS matched the SMILES molecule
193: ok 984 # SMARTS matched the SMILES molecule
193: ok 985 # SMARTS matched the SMILES molecule
193: ok 986 # SMARTS matched the SMILES molecule
193: ok 987 # SMARTS matched the SMILES molecule
193: ok 988 # SMARTS matched the SMILES molecule
193: ok 989 # SMARTS matched the SMILES molecule
193: ok 990 # SMARTS matched the SMILES molecule
193: ok 991 # SMARTS matched the SMILES molecule
193: ok 992 # SMARTS matched the SMILES molecule
193: ok 993 # SMARTS matched the SMILES molecule
193: ok 994 # SMARTS matched the SMILES molecule
193: 1..994
189/208 Test  #15: test_builder_1 ...................   Passed   10.88 sec
190/208 Test #190: test_ringtest_1 ..................   Passed    2.72 sec
191/208 Test #191: test_smartstest_1 ................   Passed    2.70 sec
192/208 Test #193: test_smilesmatch_1 ...............   Passed    2.67 sec
193/208 Test #195: test_cmlreadfile_1 ...............   Passed    2.65 sec
194/208 Test #196: inchiSamples.sdf_Test ............   Passed    2.64 sec
test 197
        Start 197: inchiSamplesTechMan.sdf_Test
197: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/bin/test_inchiwrite "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/SamplesTechMan.sdf" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/SamplesTechMan.sdf.txt"
197: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
197: Environment variables: 
197:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
197:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64:
197: Test timeout computed to be: 1500
test 198
        Start 198: pytest_babel
198: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test/pytest_babel.cmake"
198: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
198: Test timeout computed to be: 1500
test 199
        Start 199: pytest_smartssym
199: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test/pytest_smartssym.cmake"
199: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
199: Test timeout computed to be: 1500
test 200
        Start 200: pytest_fastsearch
200: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test/pytest_fastsearch.cmake"
200: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
200: Test timeout computed to be: 1500
test 201
        Start 201: pytest_unique
201: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test/pytest_unique.cmake"
201: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
201: Test timeout computed to be: 1500
test 202
        Start 202: pytest_kekule
202: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test/pytest_kekule.cmake"
202: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
202: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4j1p_1k0.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k2m_o1g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k3k_sfk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k42_nwm.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k4g_1s0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k4j_1o8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k4q_06b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k55_h6p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k5f_q14.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k5g_q13.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k5i_1q7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k5l_19n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k5m_1ov.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k5n_1ou.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k5o_1ot.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k5p_1os.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k5y_1q5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k5z_1p7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k60_1p8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k69_1p9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k6i_9ra.sdf
197: ==============================
197: *** Open Babel Warning  in InChI code
197:   Table04 :Salt was disconnected;
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k6z_1q3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k77_1q4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k7n_mct.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k7o_ekz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k7q_zld.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k7r_3pk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k7v_07v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k8a_k8a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k8b_1rr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k9g_1q2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k9t_1rd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k9u_5aw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k9v_6aw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k9w_7aw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k9x_8aw.sdf
197: ==============================
197: *** Open Babel Warning  in InChI code
197:   Table09 :Ambiguous stereo: center(s);
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4k9y_k9y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kab_4ka.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kao_kao.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kb7_690.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kb8_1qn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kb8_1qo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kb9_g79.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kba_1qm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kbc_1qj.sdf
197: ==============================
197: *** Open Babel Warning  in InChI code
197:   Table10 :Ambiguous stereo: center(s)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kbi_1c0.sdf
197: 1..44
197:  # molecules converted
197: ok 1 # InChI matched expected
197: ok 2 # InChI matched expected
197: ok 3 # InChI matched expected
197: ok 4 # InChI matched expected
197: ok 5 # InChI matched expected
197: ok 6 # InChI matched expected
197: ok 7 # InChI matched expected
197: ok 8 # InChI matched expected
197: ok 9 # InChI matched expected
197: ok 10 # InChI matched expected
197: ok 11 # InChI matched expected
197: ok 12 # InChI matched expected
197: ok 13 # InChI matched expected
197: ok 14 # InChI matched expected
197: ok 15 # InChI matched expected
197: ok 16 # InChI matched expected
197: ok 17 # InChI matched expected
197: ok 18 # InChI matched expected
197: ok 19 # InChI matched expected
197: ok 20 # InChI matched expected
197: ok 21 # InChI matched expected
197: ok 22 # InChI matched expected
197: ok 23 # InChI matched expected
197: ok 24 # InChI matched expected
197: ok 25 # InChI matched expected
197: ok 26 # ignored empty InChI
197: ok 27 # InChI matched expected
197: ok 28 # InChI matched expected
197: ok 29 # ignored empty InChI
197: ok 30 # InChI matched expected
197: ok 31 # ignored empty InChI
197: ok 32 # InChI matched expected
197: ok 33 # InChI matched expected
197: ok 34 # ignored empty InChI
197: ok 35 # InChI matched expected
197: ok 36 # InChI matched expected
197: ok 37 # InChI matched expected
197: ok 38 # InChI matched expected
197: ok 39 # ignored empty InChI
197: ok 40 # InChI matched expected
197: ok 41 # InChI matched expected
197: ok 42 # ignored empty InChI
197: ok 43 # ignored empty InChI
197: ok 44 # ignored empty InChI
197: 36 molecules compared
197: # 8 # empty molecules skipped
197: 0 failures
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kbk_1qg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kbz_1qa.sdf
195/208 Test #197: inchiSamplesTechMan.sdf_Test .....   Passed    0.20 sec
test 203
        Start 203: pytest_pdbformat
203: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test/pytest_pdbformat.cmake"
203: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
203: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kc1_ws1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kc2_ws2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kc4_ws3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kcg_1qc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kch_h38.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kci_1qe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kcj_h36.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kck_h45.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kcm_1qf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kcn_5h3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kcp_h44.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kcs_5h4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kcx_1qk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4kd7_9dr.sdf
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203: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testpdbformat.py:1: SyntaxWarning: invalid escape sequence '\P'
203:   """Test OpenBabel executables from Python
203: /usr/lib64/python3.13/subprocess.py:1020: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
203:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
203: /usr/lib64/python3.13/subprocess.py:1026: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
203:   self.stdout = io.open(c2pread, 'rb', bufsize)
203: /usr/lib64/python3.13/subprocess.py:1031: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
203:   self.stderr = io.open(errread, 'rb', bufsize)
203: .
203: ----------------------------------------------------------------------
203: Ran 1 test in 0.136s
203: 
203: OK
203: 
196/208 Test #203: pytest_pdbformat .................   Passed    0.27 sec
test 204
        Start 204: pybindtest__pybel
204: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test/pybindtest__pybel.cmake"
204: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
204: Test timeout computed to be: 1500
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200: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testfastsearch.py:1: SyntaxWarning: invalid escape sequence '\P'
200:   """Test OpenBabel executables from Python
200: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testfastsearch.py:30: SyntaxWarning: invalid escape sequence '\C'
200:   smiles = """C12(C(N(C(=O)C)c3c2cccc3)=O)Nc2c(ccc(c2N1)OCCCC)OCCCC
200: .
200: ----------------------------------------------------------------------
200: Ran 1 test in 0.498s
200: 
200: OK
200: 
197/208 Test #200: pytest_fastsearch ................   Passed    0.64 sec
test 205
        Start 205: pybindtest_example
205: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test/pybindtest_example.cmake"
205: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
205: Test timeout computed to be: 1500
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205: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testexample.py:1: SyntaxWarning: invalid escape sequence '\P'
205:   """Example test that uses the OpenBabel Python bindings
205: ..
205: ----------------------------------------------------------------------
205: Ran 2 tests in 0.001s
205: 
205: OK
205: 
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198/208 Test #205: pybindtest_example ...............   Passed    0.28 sec
test 206
        Start 206: pybindtest_cdjsonformat
206: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test/pybindtest_cdjsonformat.cmake"
206: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
206: Test timeout computed to be: 1500
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206: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testcdjsonformat.py:1: SyntaxWarning: invalid escape sequence '\P'
206:   """Test ChemDoodle JSON format using the OpenBabel Python bindings
206: ..........
206: ----------------------------------------------------------------------
206: Ran 10 tests in 0.004s
206: 
206: OK
206: 
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199/208 Test #206: pybindtest_cdjsonformat ..........   Passed    0.22 sec
test 207
        Start 207: pybindtest_pcjsonformat
207: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test/pybindtest_pcjsonformat.cmake"
207: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
207: Test timeout computed to be: 1500
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59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 21 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rlp_72b.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 1 N
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rsk_u3p.sdf
201: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testunique.py:1: SyntaxWarning: invalid escape sequence '\P'
201:   """Test OpenBabel executables from Python
201: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testunique.py:26: SyntaxWarning: invalid escape sequence '\F'
201:   self.smiles = """C	methane
201: /usr/lib64/python3.13/subprocess.py:1020: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
201:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
201: /usr/lib64/python3.13/subprocess.py:1026: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
201:   self.stdout = io.open(c2pread, 'rb', bufsize)
201: /usr/lib64/python3.13/subprocess.py:1031: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
201:   self.stderr = io.open(errread, 'rb', bufsize)
201: .
201: ----------------------------------------------------------------------
201: Ran 1 test in 1.141s
201: 
201: OK
201: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rss_4mg.sdf
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200/208 Test #201: pytest_unique ....................   Passed    1.31 sec
test 208
        Start 208: pybindtest_roundtrip
208: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test/pybindtest_roundtrip.cmake"
208: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/test
208: Test timeout computed to be: 1500
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208: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/ppc64le-redhat-linux-gnu/lib64
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ug2_ngi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ug5_hem.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 39 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 41 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ug5_xfk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ug6_xfj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ug9_1ew.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ugc_1q6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uge_q15.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ugh_4v4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ugi_sko.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ugj_q1t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ugk_7s9.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ugn_h49.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ugy_exi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uh2_s84.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uh9_s85.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ui4_rjn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ui5_bj4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ui6_ecz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ui7_vt3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ui8_iy5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uia_fh9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uib_gwx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uit_n1d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uiv_xzb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uiw_h1b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uix_tvu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uiy_5v2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uj1_nvx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uj2_nvv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uj9_s3n.sdf
207: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testpcjsonformat.py:1: SyntaxWarning: invalid escape sequence '\P'
207:   """Test PubChem JSON format using the OpenBabel Python bindings
207: .................
207: ----------------------------------------------------------------------
207: Ran 17 tests in 0.035s
207: 
207: OK
207: 
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201/208 Test #207: pybindtest_pcjsonformat ..........   Passed    0.36 sec
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uw1_92r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uw3_50g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uw4_4s0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uw6_vv7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uwb_jvt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uwc_4y0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uwf_eut.sdf
204: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/test_pybel.py:1: SyntaxWarning: invalid escape sequence '\P'
204:   """Test OpenBabel Python bindings
204: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbindings.py:1: SyntaxWarning: invalid escape sequence '\P'
204:   """Test OpenBabel Python bindings
204: .........................==============================
204: *** Open Babel Warning  in WriteMolecule
204:   No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D.
204: .....==============================
204: *** Open Babel Error  in SMARTSError
204:   SMARTS Error:
204: [#NOEL][#NOEL]
204:   ^
204: 
204: ....
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uwg_rbq.sdf
204: ----------------------------------------------------------------------
204: Ran 34 tests in 0.755s
204: 
204: OK
204: 
202/208 Test #204: pybindtest__pybel ................   Passed    1.10 sec
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202: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testkekule.py:1: SyntaxWarning: invalid escape sequence '\P'
202:   """Test OpenBabel executables from Python
202: /usr/lib64/python3.13/subprocess.py:1020: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
202:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
202: /usr/lib64/python3.13/subprocess.py:1026: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
202:   self.stdout = io.open(c2pread, 'rb', bufsize)
202: /usr/lib64/python3.13/subprocess.py:1031: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
202:   self.stderr = io.open(errread, 'rb', bufsize)
202: ...
202: ----------------------------------------------------------------------
202: Ran 3 tests in 2.509s
202: 
202: OK
202: 
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204/208 Test #202: pytest_kekule ....................   Passed    2.61 sec
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5vt1_9js.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5vt4_9kj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5vt7_a1c.sdf
199: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testsmartssym.py:1: SyntaxWarning: invalid escape sequence '\P'
199:   """Test OpenBabel executables from Python
199: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:1: SyntaxWarning: invalid escape sequence '\P'
199:   """Test OpenBabel executables from Python
199: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:101: SyntaxWarning: invalid escape sequence '\d'
199:   pat = "(-?\d.*) molecule(?:s?) converted"
199: /usr/lib64/python3.13/subprocess.py:1020: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
199:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
199: /usr/lib64/python3.13/subprocess.py:1026: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
199:   self.stdout = io.open(c2pread, 'rb', bufsize)
199: /usr/lib64/python3.13/subprocess.py:1031: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
199:   self.stderr = io.open(errread, 'rb', bufsize)
199: ....
199: ----------------------------------------------------------------------
199: Ran 4 tests in 4.684s
199: 
199: OK
199: 
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205/208 Test #199: pytest_smartssym .................   Passed    4.77 sec
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/7upj_inu.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/8a3h_idc.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/8cho_p4c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/8cpa_agf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/8cpp_tcm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/8ico_azt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/8mht_du.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/966c_rs2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/9rsa_adu.sdf
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206/208 Test  #59: test_addh_1 ......................   Passed   14.03 sec
198: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:1: SyntaxWarning: invalid escape sequence '\P'
198:   """Test OpenBabel executables from Python
198: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:101: SyntaxWarning: invalid escape sequence '\d'
198:   pat = "(-?\d.*) molecule(?:s?) converted"
198: ......./usr/lib64/python3.13/subprocess.py:1020: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
198:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
198: /usr/lib64/python3.13/subprocess.py:1026: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
198:   self.stdout = io.open(c2pread, 'rb', bufsize)
198: /usr/lib64/python3.13/subprocess.py:1031: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
198:   self.stderr = io.open(errread, 'rb', bufsize)
198: ......
198: ----------------------------------------------------------------------
198: Ran 13 tests in 11.344s
198: 
198: OK
198: 
207/208 Test #198: pytest_babel .....................   Passed   11.43 sec
208: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testroundtrip.py:1: SyntaxWarning: invalid escape sequence '\P'
208:   """Test the ability of openbabel to roundtrip various properties
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: ==============================
208: *** Open Babel Error  in TetStereoToWedgeHash
208:   Failed to set stereochemistry as unable to find an available bond
208: /usr/lib64/python3.13/multiprocessing/pool.py:268: ResourceWarning: unclosed running multiprocessing pool <multiprocessing.pool.Pool state=RUN pool_size=1>
208:   _warn(f"unclosed running multiprocessing pool {self!r}",
208: ResourceWarning: Enable tracemalloc to get the object allocation traceback
208: .
208: ----------------------------------------------------------------------
208: Ran 1 test in 249.196s
208: 
208: OK
208: 
208/208 Test #208: pybindtest_roundtrip .............   Passed  249.56 sec
The following tests passed:
	test_align_1
	test_align_2
	test_align_3
	test_automorphism_7
	test_automorphism_2
	test_automorphism_1
	test_automorphism_3
	test_alias_1
	test_automorphism_6
	test_automorphism_4
	test_automorphism_5
	test_automorphism_8
	test_automorphism_9
	test_automorphism_10
	test_canonconsistent_2
	test_builder_3
	test_builder_4
	test_builder_5
	test_builder_6
	test_carspacegroup_1
	test_canonfragment_1
	test_canonconsistent_3
	test_canonconsistent_1
	test_builder_2
	test_cifspacegroup_3
	test_carspacegroup_2
	test_carspacegroup_4
	test_carspacegroup_3
	test_cifspacegroup_1
	test_cifspacegroup_2
	test_cifspacegroup_4
	test_cifspacegroup_5
	test_cifspacegroup_6
	test_cifspacegroup_7
	test_cifspacegroup_8
	test_cistrans_1
	test_cistrans_2
	test_cistrans_3
	test_cistrans_4
	test_cistrans_5
	test_cistrans_6
	test_cifspacegroup_9
	test_cifspacegroup_13
	test_cistrans_7
	test_cistrans_8
	test_conversion_1
	test_cistrans_9
	test_cifspacegroup_10
	test_graphsym_1
	test_graphsym_4
	test_graphsym_2
	test_cifspacegroup_11
	test_graphsym_3
	test_cifspacegroup_12
	test_graphsym_5
	test_implicitH_1
	test_lssr_1
	test_lssr_5
	test_gzip_1
	test_isomorphism_1
	test_isomorphism_2
	test_isomorphism_3
	test_isomorphism_4
	test_isomorphism_5
	test_isomorphism_6
	test_isomorphism_7
	test_isomorphism_8
	test_isomorphism_9
	test_periodic_1
	test_periodic_2
	test_multicml_1
	test_periodic_4
	test_periodic_3
	test_regressions_222
	test_regressions_223
	test_rotor_1
	test_regressions_224
	test_rotor_2
	test_rotor_3
	test_rotor_4
	test_lssr_3
	test_shuffle_3
	test_shuffle_1
	test_shuffle_4
	test_shuffle_2
	test_lssr_4
	test_smiles_1
	test_smiles_2
	test_spectrophore_2
	test_smiles_3
	test_spectrophore_3
	test_spectrophore_4
	test_squareplanar_1
	test_squareplanar_2
	test_squareplanar_3
	test_spectrophore_5
	test_squareplanar_4
	test_squareplanar_5
	test_stereo_2
	test_stereo_1
	test_stereo_3
	test_stereo_4
	test_stereo_5
	test_shuffle_5
	test_stereoperception_1
	test_stereoperception_2
	test_stereoperception_4
	test_spectrophore_1
	test_stereoperception_3
	test_stereo_6
	test_tautomer_1
	test_tautomer_4
	test_tautomer_5
	test_tautomer_2
	test_tautomer_6
	test_tautomer_3
	test_tautomer_7
	test_tautomer_9
	test_tautomer_8
	test_tautomer_10
	test_tautomer_11
	test_tautomer_12
	test_tautomer_13
	test_tautomer_14
	test_tautomer_15
	test_tautomer_16
	test_tautomer_19
	test_tautomer_17
	test_tautomer_18
	test_tautomer_20
	test_tautomer_21
	test_tautomer_24
	test_tautomer_22
	test_tautomer_23
	test_tautomer_25
	test_tetrahedral_1
	test_tetrahedral_2
	test_tetrahedral_3
	test_tetrahedral_4
	test_tetrahedral_5
	test_tetranonplanar_1
	test_tetraplanar_1
	test_uniqueid_1
	test_uniqueid_2
	test_tautomer_27
	test_atom_1
	test_tautomer_26
	test_atom_2
	test_atom_3
	test_atom_4
	test_bond_1
	test_tautomer_28
	test_aromatest_1
	test_datatest_1
	test_charge_gasteiger_1
	test_charge_mmff94_1
	test_cansmi_1
	test_ffmmff94_2
	test_ffgaff_1
	test_ffmmff94_4
	test_ffmmff94_1
	test_ffmmff94_6
	test_ffghemical_1
	test_lssr_2
	test_formalcharge_1
	test_format_1
	test_internalcoord_1
	test_invalidsmarts_1
	test_invalidsmiles_1
	test_formula_1
	test_ffmmff94_3
	test_iterators_1
	test_logp_psa_1
	test_math_1
	test_math_2
	test_math_3
	test_ffmmff94_5
	test_ffuff_1
	test_mol_1
	test_pdbreadfile_1
	test_pdbreadfile_2
	test_residue_1
	test_pdbreadfile_4
	test_smartsparse_1
	test_pdbreadfile_3
	test_phmodel_1
	test_unitcell_1
	test_builder_1
	test_ringtest_1
	test_smartstest_1
	test_smilesmatch_1
	test_cmlreadfile_1
	inchiSamples.sdf_Test
	inchiSamplesTechMan.sdf_Test
	pytest_pdbformat
	pytest_fastsearch
	pybindtest_example
	pybindtest_cdjsonformat
	pytest_unique
	pybindtest_pcjsonformat
	pybindtest__pybel
	test_canonstable_1
	pytest_kekule
	pytest_smartssym
	test_addh_1
	pytest_babel
	pybindtest_roundtrip
99% tests passed, 1 tests failed out of 208
Total Test time (real) = 261.88 sec
The following tests FAILED:
	182 - test_math_4 (Failed)
RPM build errors:
Errors while running CTest
error: Bad exit status from /var/tmp/rpm-tmp.bDT1oq (%check)
    Bad exit status from /var/tmp/rpm-tmp.bDT1oq (%check)
Child return code was: 1
EXCEPTION: [Error('Command failed: \n # /usr/bin/systemd-nspawn -q -M 06a2172c03bb425e94eaa89a24d47139 -D /var/lib/mock/f42-build-56816164-6546346/root -a -u mockbuild --capability=cap_ipc_lock --bind=/tmp/mock-resolv.sb1tgju1:/etc/resolv.conf --bind=/dev/btrfs-control --bind=/dev/mapper/control --bind=/dev/fuse --bind=/dev/loop-control --bind=/dev/loop0 --bind=/dev/loop1 --bind=/dev/loop2 --bind=/dev/loop3 --bind=/dev/loop4 --bind=/dev/loop5 --bind=/dev/loop6 --bind=/dev/loop7 --bind=/dev/loop8 --bind=/dev/loop9 --bind=/dev/loop10 --bind=/dev/loop11 --console=pipe --setenv=TERM=vt100 --setenv=SHELL=/bin/bash --setenv=HOME=/builddir --setenv=HOSTNAME=mock --setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin \'--setenv=PROMPT_COMMAND=printf "\\033]0;<mock-chroot>\\007"\' \'--setenv=PS1=<mock-chroot> \\s-\\v\\$ \' --setenv=LANG=C.UTF-8 --resolv-conf=off bash --login -c \'/usr/bin/rpmbuild -bb --noclean --target ppc64le --nodeps /builddir/build/SPECS/openbabel.spec\'\n', 1)]
Traceback (most recent call last):
  File "/usr/lib/python3.13/site-packages/mockbuild/trace_decorator.py", line 93, in trace
    result = func(*args, **kw)
  File "/usr/lib/python3.13/site-packages/mockbuild/util.py", line 610, in do_with_status
    raise exception.Error("Command failed: \n # %s\n%s" % (cmd_pretty(command, env), output), child.returncode)
mockbuild.exception.Error: Command failed: 
 # /usr/bin/systemd-nspawn -q -M 06a2172c03bb425e94eaa89a24d47139 -D /var/lib/mock/f42-build-56816164-6546346/root -a -u mockbuild --capability=cap_ipc_lock --bind=/tmp/mock-resolv.sb1tgju1:/etc/resolv.conf --bind=/dev/btrfs-control --bind=/dev/mapper/control --bind=/dev/fuse --bind=/dev/loop-control --bind=/dev/loop0 --bind=/dev/loop1 --bind=/dev/loop2 --bind=/dev/loop3 --bind=/dev/loop4 --bind=/dev/loop5 --bind=/dev/loop6 --bind=/dev/loop7 --bind=/dev/loop8 --bind=/dev/loop9 --bind=/dev/loop10 --bind=/dev/loop11 --console=pipe --setenv=TERM=vt100 --setenv=SHELL=/bin/bash --setenv=HOME=/builddir --setenv=HOSTNAME=mock --setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin '--setenv=PROMPT_COMMAND=printf "\033]0;<mock-chroot>\007"' '--setenv=PS1=<mock-chroot> \s-\v\$ ' --setenv=LANG=C.UTF-8 --resolv-conf=off bash --login -c '/usr/bin/rpmbuild -bb --noclean --target ppc64le --nodeps /builddir/build/SPECS/openbabel.spec'